G4V7V8_SCHMA Loading...

Putative ga binding protein beta chain (Transcription factor e4tf1-47)

AlphaFold DB , UniProt , Accession G4V7V8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 564 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
1M32.3Very low39.5Very low225 Ų225145.6 Ų145.6100%1.10875%0.749SS**  0109.30-78.4174.5168.200107.4
2N32.2Very low40.5Very low134 Ų134139.4 Ų139.472%0.71772%0.718SS**  trans-92.6102.4172.1-66.813.5000106.9Y4N2-Y4 HydrophobicContact CB-CD2 4.15Å; N2-Y4 HydrophobicContact CB-CE2 3.75Å; N2-Y4 PolarHBondContact O-N 2.65Å; N2-Y4 VanDerWaalsContact O-N 3.13Å
3Q32.6Very low41.9Very low165 Ų165136.2 Ų136.277%0.77171%0.712SS**  trans-7795173.5-74.6-178.7-24.600108.5I5Q3-I5 PolarHBondContact O-N 3.23Å
4Y34.6Very low42.8Very low187 Ų187136 Ų13673%0.73370%0.697SS**  trans-7295167.8-74-92.3000108.5N2 I6N2-Y4 HydrophobicContact CB-CD2 4.15Å; N2-Y4 HydrophobicContact CB-CE2 3.75Å; N2-Y4 PolarHBondContact O-N 2.65Å; N2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-I6 PolarHBondContact O-N 2.79Å
5I39.2Very low43.3Very low149 Ų149133.5 Ų133.576%0.76469%0.685SS**  trans-79.294171.8-57176.6000107.2Q3Q3-I5 PolarHBondContact O-N 3.23Å
6I42.8Very low44Very low106 Ų106131.4 Ų131.454%0.54467%0.67SS.*  trans-79.5123.1169.5-57176.4000107.4Y4 L8Y4-I6 PolarHBondContact O-N 2.79Å; I6-L8 PolarHBondContact O-N 3.12Å
7P38Very low45Very low110 Ų110126.7 Ų126.771%0.71465%0.651SS**  trans-65.8118.2171.7-17.531.7000109.6A9P7-A9 PolarHBondContact O-N 3.12Å
8L42.1Very low45.9Very low140 Ų140125.4 Ų125.473%0.73364%0.642SS**  trans-7576.6174-76.4167.1000110.3I6 F16I6-L8 PolarHBondContact O-N 3.12Å; L8-F16 HydrophobicContact CD2-CE1 4.42Å; L8-F16 HydrophobicContact CD2-CZ 3.99Å
9A40.1Very low47Very low73 Ų73121.7 Ų121.760%0.60363%0.626SS**  trans-83.4117.5164.700000108.6P7P7-A9 PolarHBondContact O-N 3.12Å
10H49.2Very low48.2Very low168 Ų168119.4 Ų119.478%0.77862%0.621SS**SBendtrans65.1146.6-176.7-62.9-92.9000115.4D12H10-D12 PolarHBondContact O-N 2.95Å
11N51.5Low49.3Very low145 Ų145118.7 Ų118.778%0.77561%0.614SS**  trans-104.648.7-161.1-168.248.4000111.2
12D51.3Low51.1Low71 Ų71110.5 Ų110.538%0.3858%0.582SS.*  trans-86.2121.7-165.4-152.3-61.2000112.4H10 R14 L15 F16H10-D12 PolarHBondContact O-N 2.95Å; D12-R14 PolarHBondContact O-N 3.31Å; D12-R14 WeakPolarHBondContact OD1-CB 3.39Å; D12-R14 PolarHBondContact OD1-N 3.39Å; D12-L15 HydrophobicContact CB-CB 4.33Å; D12-L15 HydrophobicContact CB-CD1 4.1Å; D12-L15 WeakPolarHBondContact O-CB 3.2Å; D12-L15 PolarHBondContact O-N 2.75Å; D12-F16 WeakPolarHBondContact O-CD2 3.35Å; D12-F16 PolarHBondContact O-N 3.08Å
13P58.9Low53.2Low98 Ų98110.6 Ų110.664%0.63658%0.577SS**Hα-helixtrans-62.9-26.4179.626.1-34.6000113.2F16 S17P13-F16 PolarHBondContact O-N 3.02Å; P13-S17 PolarHBondContact O-N 3.16Å; P13-S17 VanDerWaalsContact O-N 3.1Å; P13-S17 PolarHBondContact O-OG 3.07Å
14R53.9Low55.5Low133 Ų133106 Ų10650%0.50256%0.563SS.*Hα-helixtrans-64.1-45176.2-67-173.6179-148.110.2111.5D12 F16 S17 H18 D470D12-R14 PolarHBondContact O-N 3.31Å; D12-R14 WeakPolarHBondContact OD1-CB 3.39Å; D12-R14 PolarHBondContact OD1-N 3.39Å; R14-F16 VanDerWaalsContact C-N 3.3Å; R14-F16 PolarHBondContact O-N 3.49Å; R14-S17 WeakPolarHBondContact CA-OG 3.43Å; R14-S17 PolarHBondContact O-N 3.1Å; R14-S17 VanDerWaalsContact O-N 3.09Å; R14-S17 PolarHBondContact O-OG 3.3Å; R14-H18 PolarHBondContact O-CD2 3Å; R14-H18 PolarHBondContact O-N 2.83Å; R14-D470 IonicContact CZ-OD2 2.71Å; R14-D470 IonicContact NH1-OD1 2.65Å; R14-D470 PolarHBondContact NH1-OD1 3.21Å; R14-D470 IonicContact NH1-OD2 3.42Å; R14-D470 PolarHBondContact NH1-OD2 3.45Å; R14-D470 IonicContact NH2-OD2 3.49Å
15L50.8Low57.6Low99 Ų99101 Ų10152%0.51855%0.548SS..Hα-helixtrans-57.4-42.3174.4-93.9159.5000111.6D12 S17 H18 V19D12-L15 HydrophobicContact CB-CB 4.33Å; D12-L15 HydrophobicContact CB-CD1 4.1Å; D12-L15 WeakPolarHBondContact O-CB 3.2Å; D12-L15 PolarHBondContact O-N 2.75Å; L15-S17 PolarHBondContact O-N 3.4Å; L15-H18 PolarHBondContact O-N 2.86Å; L15-V19 VanDerWaalsContact O-CB 3.28Å; L15-V19 WeakPolarHBondContact O-CB 3.3Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 3.06Å
16F54.4Low59.7Low100 Ų10097.2 Ų97.244%0.43953%0.532SS..Hα-helixtrans-63.3-38.9174.9-77.3-75.6000112.9L8 D12 P13 R14 S20L8-F16 HydrophobicContact CD2-CE1 4.42Å; L8-F16 HydrophobicContact CD2-CZ 3.99Å; D12-F16 WeakPolarHBondContact O-CD2 3.35Å; D12-F16 PolarHBondContact O-N 3.08Å; P13-F16 PolarHBondContact O-N 3.02Å; R14-F16 VanDerWaalsContact C-N 3.3Å; R14-F16 PolarHBondContact O-N 3.49Å; F16-S20 VanDerWaalsContact O-CB 3.26Å; F16-S20 WeakPolarHBondContact O-CB 3.4Å; F16-S20 PolarHBondContact O-N 2.95Å; F16-S20 PolarHBondContact O-OG 2.99Å
17S61.5Low61.9Low51 Ų5196.4 Ų96.436%0.35753%0.529SS..Hα-helixtrans-66.4-47.1173.233.50000112.9P13 R14 L15 V19 S20 Q21P13-S17 PolarHBondContact O-N 3.16Å; P13-S17 VanDerWaalsContact O-N 3.1Å; P13-S17 PolarHBondContact O-OG 3.07Å; R14-S17 WeakPolarHBondContact CA-OG 3.43Å; R14-S17 PolarHBondContact O-N 3.1Å; R14-S17 VanDerWaalsContact O-N 3.09Å; R14-S17 PolarHBondContact O-OG 3.3Å; L15-S17 PolarHBondContact O-N 3.4Å; S17-V19 PolarHBondContact O-N 2.8Å; S17-S20 PolarHBondContact O-N 3.11Å; S17-Q21 WeakPolarHBondContact O-CB 3.03Å; S17-Q21 VanDerWaalsContact O-CG 3.31Å; S17-Q21 WeakPolarHBondContact O-CG 3.45Å; S17-Q21 PolarHBondContact O-N 2.71Å
18H61.6Low64.3Low104 Ų10492.6 Ų92.648%0.48150%0.502SS..Hα-helixtrans-66.6-41.3-177.2-69.1-159.8000111R14 L15 S20 Q21 A22R14-H18 PolarHBondContact O-CD2 3Å; R14-H18 PolarHBondContact O-N 2.83Å; L15-H18 PolarHBondContact O-N 2.86Å; H18-S20 VanDerWaalsContact C-N 3.34Å; H18-S20 PolarHBondContact O-N 3.32Å; H18-Q21 PolarHBondContact O-N 3.23Å; H18-A22 WeakPolarHBondContact O-CB 3.33Å; H18-A22 PolarHBondContact O-N 3Å
19V66Low66.6Low55 Ų5586 Ų8633%0.33347%0.467SS..Hα-helixtrans-63.2-39.7173.3170.80000111.3L15 S17 A22 F23L15-V19 VanDerWaalsContact O-CB 3.28Å; L15-V19 WeakPolarHBondContact O-CB 3.3Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 3.06Å; S17-V19 PolarHBondContact O-N 2.8Å; V19-A22 PolarHBondContact O-N 2.6Å; V19-F23 HydrophobicContact CG1-CD2 3.68Å; V19-F23 HydrophobicContact CG1-CE2 3.55Å; V19-F23 WeakPolarHBondContact O-CD2 3.28Å; V19-F23 PolarHBondContact O-N 2.85Å
20S71.6Confident69Low75 Ų7587.9 Ų87.952%0.52446%0.462SS..Hα-helixtrans-66.9-41.1176.8-60.40000112.5F16 S17 H18 F23 S24F16-S20 VanDerWaalsContact O-CB 3.26Å; F16-S20 WeakPolarHBondContact O-CB 3.4Å; F16-S20 PolarHBondContact O-N 2.95Å; F16-S20 PolarHBondContact O-OG 2.99Å; S17-S20 PolarHBondContact O-N 3.11Å; H18-S20 VanDerWaalsContact C-N 3.34Å; H18-S20 PolarHBondContact O-N 3.32Å; S20-F23 PolarHBondContact O-N 3.12Å; S20-S24 PolarHBondContact O-N 2.94Å; S20-S24 PolarHBondContact O-OG 3.08Å
21Q71.3Confident71.2Confident105 Ų10585.4 Ų85.449%0.49145%0.446SS..Hα-helixtrans-64.2-45174.7-73164.1-20.300111.4S17 H18 F23 S24 L25S17-Q21 WeakPolarHBondContact O-CB 3.03Å; S17-Q21 VanDerWaalsContact O-CG 3.31Å; S17-Q21 WeakPolarHBondContact O-CG 3.45Å; S17-Q21 PolarHBondContact O-N 2.71Å; H18-Q21 PolarHBondContact O-N 3.23Å; Q21-F23 PolarHBondContact O-N 2.89Å; Q21-S24 WeakPolarHBondContact CA-OG 3.44Å; Q21-S24 PolarHBondContact O-N 3.26Å; Q21-S24 VanDerWaalsContact O-N 3.15Å; Q21-S24 PolarHBondContact O-OG 3.21Å; Q21-L25 WeakPolarHBondContact O-CG 3.45Å; Q21-L25 PolarHBondContact O-N 3.27Å
22A70.4Confident73.2Confident53 Ų5378.5 Ų78.544%0.43841%0.409SS..Hα-helixtrans-60.4-43.9175.500000111.8H18 V19 S24 L25 V26H18-A22 WeakPolarHBondContact O-CB 3.33Å; H18-A22 PolarHBondContact O-N 3Å; V19-A22 PolarHBondContact O-N 2.6Å; A22-S24 PolarHBondContact O-N 2.93Å; A22-L25 PolarHBondContact O-N 3.23Å; A22-V26 WeakPolarHBondContact O-CB 3.49Å; A22-V26 VanDerWaalsContact O-CG2 3.29Å; A22-V26 WeakPolarHBondContact O-CG2 3.33Å; A22-V26 PolarHBondContact O-N 3.48Å
23F75.5Confident75.3Confident136 Ų13675.8 Ų75.860%0.59640%0.395SS*.Hα-helixtrans-62.6-39.9173.2-83.7-59.4000112.5V19 S20 Q21 V26 D27V19-F23 HydrophobicContact CG1-CD2 3.68Å; V19-F23 HydrophobicContact CG1-CE2 3.55Å; V19-F23 WeakPolarHBondContact O-CD2 3.28Å; V19-F23 PolarHBondContact O-N 2.85Å; S20-F23 PolarHBondContact O-N 3.12Å; Q21-F23 PolarHBondContact O-N 2.89Å; F23-V26 PolarHBondContact O-N 3.28Å; F23-D27 PolarHBondContact O-N 3.27Å
24S79.8Confident77Confident68 Ų6875.2 Ų75.248%0.47639%0.386SS..Hα-helixtrans-67.2-41.1177.267.10000112.5S20 Q21 A22 D27 L28S20-S24 PolarHBondContact O-N 2.94Å; S20-S24 PolarHBondContact O-OG 3.08Å; Q21-S24 WeakPolarHBondContact CA-OG 3.44Å; Q21-S24 PolarHBondContact O-N 3.26Å; Q21-S24 VanDerWaalsContact O-N 3.15Å; Q21-S24 PolarHBondContact O-OG 3.21Å; A22-S24 PolarHBondContact O-N 2.93Å; S24-D27 PolarHBondContact O-N 3.41Å; S24-L28 WeakPolarHBondContact O-CB 3.33Å; S24-L28 PolarHBondContact O-N 2.9Å
25L79.7Confident79.1Confident81 Ų8169.2 Ų69.242%0.42437%0.365SS..Hα-helixtrans-64.8-39.5176.8-72.7170.1000111.9Q21 A22 L28 G29 P53Q21-L25 WeakPolarHBondContact O-CG 3.45Å; Q21-L25 PolarHBondContact O-N 3.27Å; A22-L25 PolarHBondContact O-N 3.23Å; L25-L28 PolarHBondContact O-N 3Å; L25-G29 PolarHBondContact O-N 3.21Å; L25-P53 HydrophobicContact CB-CG 4.34Å; L25-P53 HydrophobicContact CD2-CG 4.34Å
26V82.9Confident81.2Confident71 Ų7164.5 Ų64.543%0.4334%0.34SS..Hα-helixtrans-69.3-31.8175.8167.90000112.6A22 F23 K30A22-V26 WeakPolarHBondContact O-CB 3.49Å; A22-V26 VanDerWaalsContact O-CG2 3.29Å; A22-V26 WeakPolarHBondContact O-CG2 3.33Å; A22-V26 PolarHBondContact O-N 3.48Å; F23-V26 PolarHBondContact O-N 3.28Å; V26-K30 HydrophobicContact CG1-CD 4.46Å; V26-K30 VanDerWaalsContact CG1-NZ 3.33Å; V26-K30 VanDerWaalsContact O-CD 3.31Å; V26-K30 WeakPolarHBondContact O-CD 3.16Å; V26-K30 VanDerWaalsContact O-CG 3.24Å; V26-K30 WeakPolarHBondContact O-CG 3.28Å; V26-K30 PolarHBondContact O-N 3.37Å
27D88.4Confident83.2Confident88 Ų8863.7 Ų63.747%0.47134%0.336SS..Hα-helixtrans-72.5-45.3171.1-168.370.2000111.4F23 S24 G29 K30 R31F23-D27 PolarHBondContact O-N 3.27Å; S24-D27 PolarHBondContact O-N 3.41Å; D27-G29 PolarHBondContact O-N 2.88Å; D27-K30 PolarHBondContact O-N 2.64Å; D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 3.12Å; D27-R31 WeakPolarHBondContact OD2-CD 3.36Å
28L89.4Confident84.9Confident31 Ų3166.9 Ų66.916%0.16235%0.349CS..Hα-helixtrans-62.4-41.1-178.8-162.770.4000112.1S24 L25 R31 L32 L47 A52S24-L28 WeakPolarHBondContact O-CB 3.33Å; S24-L28 PolarHBondContact O-N 2.9Å; L25-L28 PolarHBondContact O-N 3Å; L28-R31 PolarHBondContact O-N 2.83Å; L28-L32 PolarHBondContact O-N 2.97Å; L28-L47 HydrophobicContact CD1-CD2 3.44Å; L28-L47 VanDerWaalsContact CD1-CD2 3.44Å; L28-L47 HydrophobicContact CG-CD2 4.25Å; L28-A52 HydrophobicContact CD2-CB 4.11Å; L28-A52 HydrophobicContact CG-CB 3.81Å
29G89.8Confident86.4Confident0 Ų062.9 Ų62.90%034%0.336CS..Hα-helixtrans-66.3-39172.900000113.8L25 D27 L32 L33 T55L25-G29 PolarHBondContact O-N 3.21Å; D27-G29 PolarHBondContact O-N 2.88Å; G29-L32 WeakPolarHBondContact O-CB 3.27Å; G29-L32 PolarHBondContact O-N 3.1Å; G29-L33 PolarHBondContact O-N 3.1Å; G29-T55 VanDerWaalsContact C-OG1 3.24Å; G29-T55 VanDerWaalsContact CA-OG1 3.24Å; G29-T55 WeakPolarHBondContact CA-OG1 3.37Å; G29-T55 PolarHBondContact O-OG1 2.93Å
30K92Very high87.9Confident114 Ų11464.1 Ų64.150%0.49634%0.341SS..Hα-helixtrans-65.3-42172.9-74.1168.2-170.4163.60112.2V26 D27 L32 L33 D34V26-K30 HydrophobicContact CG1-CD 4.46Å; V26-K30 VanDerWaalsContact CG1-NZ 3.33Å; V26-K30 VanDerWaalsContact O-CD 3.31Å; V26-K30 WeakPolarHBondContact O-CD 3.16Å; V26-K30 VanDerWaalsContact O-CG 3.24Å; V26-K30 WeakPolarHBondContact O-CG 3.28Å; V26-K30 PolarHBondContact O-N 3.37Å; D27-K30 PolarHBondContact O-N 2.64Å; K30-L32 PolarHBondContact O-N 3.48Å; K30-L33 WeakPolarHBondContact O-CB 3.46Å; K30-L33 PolarHBondContact O-N 3.32Å; K30-D34 PolarHBondContact O-N 3.24Å
31R94.3Very high89Confident116 Ų11662 Ų6244%0.43833%0.325SS..Hα-helixtrans-60.1-36.1173.1-72.9175.261.2166.2-2.1111.4D27 L28 D34 A35 E43 L47D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 3.12Å; D27-R31 WeakPolarHBondContact OD2-CD 3.36Å; L28-R31 PolarHBondContact O-N 2.83Å; R31-D34 PolarHBondContact O-N 3.3Å; R31-A35 WeakPolarHBondContact O-CB 3.47Å; R31-A35 PolarHBondContact O-N 3.17Å; R31-E43 IonicContact CZ-OE1 2.9Å; R31-E43 IonicContact NE-OE1 4Å; R31-E43 IonicContact NH2-OE1 3.76Å; R31-E43 PolarHBondContact NH2-OE1 2.95Å; R31-L47 VanDerWaalsContact C-CD1 3.44Å; R31-L47 HydrophobicContact CB-CD1 3.83Å; R31-L47 HydrophobicContact CB-CD2 3.96Å; R31-L47 WeakPolarHBondContact O-CD1 3.37Å
32L94Very high90.2Very high0 Ų062 Ų620%033%0.325CS..Hα-helixtrans-68.9-39.1176.2-175.764.1000111.9L28 G29 K30 A36 V44 L47 I48 A52 F54 P63 L79L28-L32 PolarHBondContact O-N 2.97Å; G29-L32 WeakPolarHBondContact O-CB 3.27Å; G29-L32 PolarHBondContact O-N 3.1Å; K30-L32 PolarHBondContact O-N 3.48Å; L32-A36 WeakPolarHBondContact O-CB 3.33Å; L32-A36 PolarHBondContact O-N 3.15Å; L32-V44 HydrophobicContact CD1-CB 4.4Å; L32-V44 HydrophobicContact CD1-CG1 4.16Å; L32-V44 HydrophobicContact CD1-CG2 4.32Å; L32-L47 HydrophobicContact CB-CD1 4.19Å; L32-L47 HydrophobicContact CD1-CB 4.08Å; L32-L47 HydrophobicContact CD1-CD1 4.38Å; L32-I48 HydrophobicContact CD1-CG1 4.16Å; L32-A52 HydrophobicContact CB-CB 4.21Å; L32-A52 HydrophobicContact CD2-CB 3.91Å; L32-F54 HydrophobicContact CD2-CD1 3.88Å; L32-F54 HydrophobicContact CD2-CE1 4.27Å; L32-P63 HydrophobicContact CD2-CG 3.94Å; L32-P63 HydrophobicContact CG-CB 4.12Å; L32-P63 HydrophobicContact CG-CG 3.83Å; L32-L79 HydrophobicContact CD1-CD2 4.33Å; L32-L79 HydrophobicContact CD2-CD2 4.5Å
33L94.6Very high91.4Very high14 Ų1461.7 Ų61.77%0.07331%0.314CS..Hα-helixtrans-60.7-49171.7-70.9165000111.6G29 K30 K37 T55 D57 I61 P63 F66G29-L33 PolarHBondContact O-N 3.1Å; K30-L33 WeakPolarHBondContact O-CB 3.46Å; K30-L33 PolarHBondContact O-N 3.32Å; L33-K37 WeakPolarHBondContact O-CB 3.36Å; L33-K37 PolarHBondContact O-N 3.13Å; L33-T55 WeakPolarHBondContact CD2-O 3.26Å; L33-D57 HydrophobicContact CD1-CB 4.33Å; L33-I61 WeakPolarHBondContact CD2-O 3.49Å; L33-P63 HydrophobicContact CD2-CG 3.81Å; L33-P63 HydrophobicContact CG-CG 4.23Å; L33-F66 HydrophobicContact CB-CD2 4.38Å; L33-F66 HydrophobicContact CB-CE2 4.42Å; L33-F66 HydrophobicContact CD2-CD2 3.78Å; L33-F66 HydrophobicContact CD2-CE2 3.91Å
34D95.7Very high92.4Very high85 Ų8555.2 Ų55.246%0.45529%0.286SS..Hα-helixtrans-68.5-38.8179.4-80.8-37.9000112.7K30 R31 K37 N38K30-D34 PolarHBondContact O-N 3.24Å; R31-D34 PolarHBondContact O-N 3.3Å; D34-K37 PolarHBondContact O-N 3.23Å; D34-N38 VanDerWaalsContact O-CB 3.3Å; D34-N38 WeakPolarHBondContact O-CB 3.44Å; D34-N38 PolarHBondContact O-N 3.41Å; D34-N38 PolarHBondContact O-ND2 3.11Å
35A96.8Very high93.2Very high7 Ų755.7 Ų55.76%0.05828%0.28CS..Hα-helixtrans-64.8-46.1176.400000111.7R31 K37 N38 G39 D40 E43 V44 L47R31-A35 WeakPolarHBondContact O-CB 3.47Å; R31-A35 PolarHBondContact O-N 3.17Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 2.84Å; A35-N38 PolarHBondContact O-N 2.96Å; A35-G39 PolarHBondContact O-N 3.37Å; A35-D40 PolarHBondContact O-N 2.77Å; A35-E43 HydrophobicContact CB-CB 4.15Å; A35-E43 HydrophobicContact CB-CG 3.83Å; A35-V44 HydrophobicContact CB-CG2 3.79Å; A35-L47 HydrophobicContact CB-CD1 3.97Å
36A96.4Very high94Very high0 Ų055.6 Ų55.60%028%0.279CS..Hα-helixtrans-65.6-34.8177.200000112.7L32 V44 P63 A67 H72 L79L32-A36 WeakPolarHBondContact O-CB 3.33Å; L32-A36 PolarHBondContact O-N 3.15Å; A36-V44 HydrophobicContact CB-CG2 4.05Å; A36-P63 HydrophobicContact CB-CB 3.72Å; A36-P63 WeakPolarHBondContact CB-O 3.12Å; A36-A67 HydrophobicContact CB-CB 4.39Å; A36-A67 WeakPolarHBondContact O-CA 3.28Å; A36-H72 PolarHBondContact O-CD2 3.11Å; A36-H72 VanDerWaalsContact O-CD2 3.27Å; A36-L79 HydrophobicContact CB-CD1 4.02Å
37K96Very high94.5Very high83 Ų8352.2 Ų52.236%0.36126%0.259SS..Hα-helixtrans-68-39.4173.2179.1-177.4171-170.70113L33 D34 A35 G39 F66 N70 H72L33-K37 WeakPolarHBondContact O-CB 3.36Å; L33-K37 PolarHBondContact O-N 3.13Å; D34-K37 PolarHBondContact O-N 3.23Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 2.84Å; K37-G39 VanDerWaalsContact C-N 3.35Å; K37-F66 HydrophobicContact CB-CB 3.85Å; K37-F66 HydrophobicContact CB-CD1 4.07Å; K37-F66 HydrophobicContact CB-CG 3.92Å; K37-F66 HydrophobicContact CD-CD1 4Å; K37-F66 HydrophobicContact CD-CE1 4.03Å; K37-F66 HydrophobicContact CD-CG 4.47Å; K37-F66 HydrophobicContact CD-CZ 4.5Å; K37-F66 HydrophobicContact CG-CD1 3.9Å; K37-F66 HydrophobicContact CG-CE1 4.41Å; K37-F66 HydrophobicContact CG-CG 4.28Å; K37-N70 PolarHBondContact O-ND2 3.49Å; K37-H72 PolarHBondContact O-CD2 3.37Å; K37-H72 PolarHBondContact O-NE2 2.97Å
38N95.9Very high94.7Very high118 Ų11849.8 Ų49.863%0.63125%0.246SC*.Hα-helixtrans-80.8-15.7178.7-67.2-28.3000113.1D34 A35D34-N38 VanDerWaalsContact O-CB 3.3Å; D34-N38 WeakPolarHBondContact O-CB 3.44Å; D34-N38 PolarHBondContact O-N 3.41Å; D34-N38 PolarHBondContact O-ND2 3.11Å; A35-N38 PolarHBondContact O-N 2.96Å
39G94.7Very high94.8Very high20 Ų2054.5 Ų54.521%0.20627%0.271CS..THydrogen-bonded Turntrans8317.8-178.700000114.3A35 K37 V41 H72A35-G39 PolarHBondContact O-N 3.37Å; K37-G39 VanDerWaalsContact C-N 3.35Å; G39-V41 VanDerWaalsContact C-N 3.35Å; G39-V41 PolarHBondContact O-N 3.23Å; G39-H72 VanDerWaalsContact CA-CD2 3.49Å; G39-H72 WeakPolarHBondContact CA-CD2 3.08Å; G39-H72 VanDerWaalsContact CA-CG 3.42Å; G39-H72 WeakPolarHBondContact CA-ND1 3.33Å; G39-H72 PolarHBondContact N-CD2 3.14Å; G39-H72 PolarHBondContact N-NE2 3.07Å
40D96.4Very high94.8Very high82 Ų8260.1 Ų60.144%0.43930%0.301SS..  trans-77.587.2177.9-166.8-28.9000110.1A35 E42 E43 V44A35-D40 PolarHBondContact O-N 2.77Å; D40-E42 PolarHBondContact O-N 3.34Å; D40-E42 PolarHBondContact OD1-N 2.96Å; D40-E43 HydrophobicContact CB-CB 4.02Å; D40-E43 VanDerWaalsContact CG-CB 3.49Å; D40-E43 PolarHBondContact O-N 2.82Å; D40-E43 PolarHBondContact OD1-N 2.8Å; D40-V44 WeakPolarHBondContact O-CB 3.28Å; D40-V44 VanDerWaalsContact O-CG2 3.27Å; D40-V44 WeakPolarHBondContact O-CG2 3.45Å; D40-V44 PolarHBondContact O-N 3.29Å
41V95.7Very high94.6Very high31 Ų3157 Ų5719%0.18830%0.302CS..Hα-helixtrans-58.7-34.5-177.4-173.70000112G39 K45G39-V41 VanDerWaalsContact C-N 3.35Å; G39-V41 PolarHBondContact O-N 3.23Å; V41-K45 HydrophobicContact CG1-CD 4.36Å; V41-K45 WeakPolarHBondContact O-CD 3.3Å; V41-K45 VanDerWaalsContact O-CG 3.23Å; V41-K45 WeakPolarHBondContact O-CG 3.47Å; V41-K45 PolarHBondContact O-N 3.1Å
42E96.5Very high94.4Very high103 Ų10351.9 Ų51.948%0.48128%0.284SS..Hα-helixtrans-80.2-39.9-177.9-58-47.212400111.3D40 K45 N46D40-E42 PolarHBondContact O-N 3.34Å; D40-E42 PolarHBondContact OD1-N 2.96Å; E42-K45 VanDerWaalsContact CD-NZ 3.3Å; E42-K45 PolarHBondContact O-N 3.3Å; E42-K45 IonicContact OE1-NZ 3.6Å; E42-K45 PolarHBondContact OE1-NZ 3.14Å; E42-K45 WeakPolarHBondContact OE2-CD 3.41Å; E42-K45 IonicContact OE2-NZ 2.75Å; E42-K45 PolarHBondContact OE2-NZ 3.34Å; E42-N46 WeakPolarHBondContact O-CB 3.4Å; E42-N46 PolarHBondContact O-N 2.95Å; E42-N46 PolarHBondContact O-ND2 3Å; E42-N46 VanDerWaalsContact O-ND2 3.1Å
43E95.8Very high94.1Very high47 Ų4754 Ų5422%0.2230%0.298CS..Hα-helixtrans-65-39.5170.4-177.666.2172.200111.2R31 A35 D40 K45 N46 L47R31-E43 IonicContact CZ-OE1 2.9Å; R31-E43 IonicContact NE-OE1 4Å; R31-E43 IonicContact NH2-OE1 3.76Å; R31-E43 PolarHBondContact NH2-OE1 2.95Å; A35-E43 HydrophobicContact CB-CB 4.15Å; A35-E43 HydrophobicContact CB-CG 3.83Å; D40-E43 HydrophobicContact CB-CB 4.02Å; D40-E43 VanDerWaalsContact CG-CB 3.49Å; D40-E43 PolarHBondContact O-N 2.82Å; D40-E43 PolarHBondContact OD1-N 2.8Å; E43-K45 PolarHBondContact O-N 2.56Å; E43-N46 PolarHBondContact O-N 3.48Å; E43-L47 HydrophobicContact CG-CD1 3.71Å; E43-L47 HydrophobicContact CG-CG 4.1Å; E43-L47 VanDerWaalsContact O-CB 3.29Å; E43-L47 WeakPolarHBondContact O-CB 3.47Å; E43-L47 WeakPolarHBondContact O-CD1 3.29Å; E43-L47 WeakPolarHBondContact O-CG 3.48Å; E43-L47 PolarHBondContact O-N 3.45Å
44V96Very high93.9Very high0 Ų057 Ų570%031%0.31CS..Hα-helixtrans-55.4-50.1171.5164.80000111.2L32 A35 A36 D40 L47 I48 A78 L79L32-V44 HydrophobicContact CD1-CB 4.4Å; L32-V44 HydrophobicContact CD1-CG1 4.16Å; L32-V44 HydrophobicContact CD1-CG2 4.32Å; A35-V44 HydrophobicContact CB-CG2 3.79Å; A36-V44 HydrophobicContact CB-CG2 4.05Å; D40-V44 WeakPolarHBondContact O-CB 3.28Å; D40-V44 VanDerWaalsContact O-CG2 3.27Å; D40-V44 WeakPolarHBondContact O-CG2 3.45Å; D40-V44 PolarHBondContact O-N 3.29Å; V44-L47 PolarHBondContact O-N 3.1Å; V44-I48 HydrophobicContact CG1-CD1 3.71Å; V44-I48 WeakPolarHBondContact O-CB 3.38Å; V44-I48 WeakPolarHBondContact O-CD1 3.21Å; V44-I48 VanDerWaalsContact O-CG1 3.23Å; V44-I48 WeakPolarHBondContact O-CG1 3.47Å; V44-I48 PolarHBondContact O-N 2.99Å; V44-A78 HydrophobicContact CG1-CB 4.09Å; V44-L79 HydrophobicContact CG1-CD2 4.26Å; V44-L79 HydrophobicContact CG1-CG 4.08Å
45K96.2Very high93.5Very high79 Ų7955 Ų5534%0.34330%0.301SS..Hα-helixtrans-61-46.1175.7-73161.4179.2167.90112.3V41 E42 E43 L47 I48 N49 A78V41-K45 HydrophobicContact CG1-CD 4.36Å; V41-K45 WeakPolarHBondContact O-CD 3.3Å; V41-K45 VanDerWaalsContact O-CG 3.23Å; V41-K45 WeakPolarHBondContact O-CG 3.47Å; V41-K45 PolarHBondContact O-N 3.1Å; E42-K45 VanDerWaalsContact CD-NZ 3.3Å; E42-K45 PolarHBondContact O-N 3.3Å; E42-K45 IonicContact OE1-NZ 3.6Å; E42-K45 PolarHBondContact OE1-NZ 3.14Å; E42-K45 WeakPolarHBondContact OE2-CD 3.41Å; E42-K45 IonicContact OE2-NZ 2.75Å; E42-K45 PolarHBondContact OE2-NZ 3.34Å; E43-K45 PolarHBondContact O-N 2.56Å; K45-L47 PolarHBondContact O-N 2.86Å; K45-I48 PolarHBondContact O-N 3.38Å; K45-N49 WeakPolarHBondContact O-CB 3.26Å; K45-N49 PolarHBondContact O-N 2.79Å; K45-N49 PolarHBondContact O-ND2 3.18Å; K45-N49 VanDerWaalsContact O-ND2 3.16Å; K45-A78 HydrophobicContact CG-CB 4.35Å
46N95.6Very high93.3Very high78 Ų7858.4 Ų58.442%0.41732%0.321SS..Hα-helixtrans-61.2-45.4-179.1-70.8-27.7000111E42 E43 N49 N50E42-N46 WeakPolarHBondContact O-CB 3.4Å; E42-N46 PolarHBondContact O-N 2.95Å; E42-N46 PolarHBondContact O-ND2 3Å; E42-N46 VanDerWaalsContact O-ND2 3.1Å; E43-N46 PolarHBondContact O-N 3.48Å; N46-N49 PolarHBondContact O-N 3.23Å; N46-N50 VanDerWaalsContact O-CB 3.32Å; N46-N50 WeakPolarHBondContact O-CB 3.08Å; N46-N50 PolarHBondContact O-N 2.8Å; N46-N50 PolarHBondContact O-ND2 3.06Å
47L93.5Very high93Very high1 Ų160.1 Ų60.11%0.00533%0.33CS..Hα-helixtrans-62.8-48177.8-69.1170.6000111.2L28 R31 L32 A35 E43 V44 K45 N49 N50 G51 A52L28-L47 HydrophobicContact CD1-CD2 3.44Å; L28-L47 VanDerWaalsContact CD1-CD2 3.44Å; L28-L47 HydrophobicContact CG-CD2 4.25Å; R31-L47 VanDerWaalsContact C-CD1 3.44Å; R31-L47 HydrophobicContact CB-CD1 3.83Å; R31-L47 HydrophobicContact CB-CD2 3.96Å; R31-L47 WeakPolarHBondContact O-CD1 3.37Å; L32-L47 HydrophobicContact CB-CD1 4.19Å; L32-L47 HydrophobicContact CD1-CB 4.08Å; L32-L47 HydrophobicContact CD1-CD1 4.38Å; A35-L47 HydrophobicContact CB-CD1 3.97Å; E43-L47 HydrophobicContact CG-CD1 3.71Å; E43-L47 HydrophobicContact CG-CG 4.1Å; E43-L47 VanDerWaalsContact O-CB 3.29Å; E43-L47 WeakPolarHBondContact O-CB 3.47Å; E43-L47 WeakPolarHBondContact O-CD1 3.29Å; E43-L47 WeakPolarHBondContact O-CG 3.48Å; E43-L47 PolarHBondContact O-N 3.45Å; V44-L47 PolarHBondContact O-N 3.1Å; K45-L47 PolarHBondContact O-N 2.86Å; L47-N49 PolarHBondContact O-N 2.95Å; L47-N50 CarbonylContact O-C 3.58Å; L47-N50 PolarHBondContact O-N 3.04Å; L47-N50 VanDerWaalsContact O-N 3.12Å; L47-G51 PolarHBondContact O-N 3.11Å; L47-A52 VanDerWaalsContact C-CB 3.41Å; L47-A52 HydrophobicContact CB-CB 3.87Å; L47-A52 WeakPolarHBondContact O-CB 3.26Å; L47-A52 PolarHBondContact O-N 2.94Å
48I92.9Very high92.7Very high36 Ų3665.1 Ų65.119%0.18535%0.347CS..Hα-helixtrans-55.1-50.1174-70.5161.2000111L32 V44 K45 N50 G51 F54 L79 A82L32-I48 HydrophobicContact CD1-CG1 4.16Å; V44-I48 HydrophobicContact CG1-CD1 3.71Å; V44-I48 WeakPolarHBondContact O-CB 3.38Å; V44-I48 WeakPolarHBondContact O-CD1 3.21Å; V44-I48 VanDerWaalsContact O-CG1 3.23Å; V44-I48 WeakPolarHBondContact O-CG1 3.47Å; V44-I48 PolarHBondContact O-N 2.99Å; K45-I48 PolarHBondContact O-N 3.38Å; I48-N50 PolarHBondContact O-N 3.45Å; I48-G51 PolarHBondContact O-N 3.33Å; I48-F54 HydrophobicContact CG1-CE1 4.34Å; I48-L79 HydrophobicContact CD1-CD2 4.1Å; I48-A82 HydrophobicContact CD1-CB 3.94Å; I48-A82 HydrophobicContact CG1-CB 4.36Å; I48-A82 HydrophobicContact CG2-CB 3.66Å
49N92.4Very high92.4Very high131 Ų13162.6 Ų62.670%0.70133%0.333SS*.Hα-helixtrans-64.3-25.7179.6-69.3-26.1000113.2K45 N46 L47 G51K45-N49 WeakPolarHBondContact O-CB 3.26Å; K45-N49 PolarHBondContact O-N 2.79Å; K45-N49 PolarHBondContact O-ND2 3.18Å; K45-N49 VanDerWaalsContact O-ND2 3.16Å; N46-N49 PolarHBondContact O-N 3.23Å; L47-N49 PolarHBondContact O-N 2.95Å; N49-G51 VanDerWaalsContact C-N 3.28Å
50N89.7Confident92.2Very high118 Ų11862.2 Ų62.263%0.63133%0.329SS*.THydrogen-bonded Turntrans-85.77174.1-69.5-32.6000113.2N46 L47 I48N46-N50 VanDerWaalsContact O-CB 3.32Å; N46-N50 WeakPolarHBondContact O-CB 3.08Å; N46-N50 PolarHBondContact O-N 2.8Å; N46-N50 PolarHBondContact O-ND2 3.06Å; L47-N50 CarbonylContact O-C 3.58Å; L47-N50 PolarHBondContact O-N 3.04Å; L47-N50 VanDerWaalsContact O-N 3.12Å; I48-N50 PolarHBondContact O-N 3.45Å
51G87.4Confident92.1Very high49 Ų4959.5 Ų59.551%0.50531%0.314SS..THydrogen-bonded Turntrans81.430.1179.100000114.5L47 I48 N49 P53L47-G51 PolarHBondContact O-N 3.11Å; I48-G51 PolarHBondContact O-N 3.33Å; N49-G51 VanDerWaalsContact C-N 3.28Å; G51-P53 VanDerWaalsContact O-CD 3.3Å; G51-P53 WeakPolarHBondContact O-CD 3.28Å
52A89.3Confident92.1Very high8 Ų858.2 Ų58.27%0.06631%0.306CS..  trans-59.8118174.800000111.5L28 L32 L47L28-A52 HydrophobicContact CD2-CB 4.11Å; L28-A52 HydrophobicContact CG-CB 3.81Å; L32-A52 HydrophobicContact CB-CB 4.21Å; L32-A52 HydrophobicContact CD2-CB 3.91Å; L47-A52 VanDerWaalsContact C-CB 3.41Å; L47-A52 HydrophobicContact CB-CB 3.87Å; L47-A52 WeakPolarHBondContact O-CB 3.26Å; L47-A52 PolarHBondContact O-N 2.94Å
53P87.9Confident92.1Very high44 Ų4453.3 Ų53.329%0.28628%0.283SS..  trans-66.2144.3175.126.7-32.8000110.3L25 G51 T55L25-P53 HydrophobicContact CB-CG 4.34Å; L25-P53 HydrophobicContact CD2-CG 4.34Å; G51-P53 VanDerWaalsContact O-CD 3.3Å; G51-P53 WeakPolarHBondContact O-CD 3.28Å; P53-T55 HydrophobicContact CB-CG2 4.15Å; P53-T55 HydrophobicContact CG-CG2 3.93Å; P53-T55 PolarHBondContact O-N 3.07Å
54F90.6Very high92.2Very high78 Ų7851 Ų5134%0.34227%0.273SS..  trans-74.355.2175.6-60.8-43.6000112.3L32 I48 L79 A82 I84L32-F54 HydrophobicContact CD2-CD1 3.88Å; L32-F54 HydrophobicContact CD2-CE1 4.27Å; I48-F54 HydrophobicContact CG1-CE1 4.34Å; F54-L79 HydrophobicContact CE1-CD2 4.31Å; F54-A82 HydrophobicContact CE1-CB 4.41Å; F54-A82 HydrophobicContact CZ-CB 3.81Å; F54-I84 HydrophobicContact CB-CD1 4.06Å; F54-I84 HydrophobicContact CB-CG1 4.06Å; F54-I84 HydrophobicContact CD1-CB 4.32Å; F54-I84 HydrophobicContact CD1-CD1 3.88Å; F54-I84 HydrophobicContact CD1-CG1 4.11Å; F54-I84 HydrophobicContact CD2-CB 4.05Å; F54-I84 HydrophobicContact CD2-CG1 3.95Å; F54-I84 HydrophobicContact CE1-CB 4.28Å; F54-I84 HydrophobicContact CE1-CD1 4.49Å; F54-I84 HydrophobicContact CE2-CB 3.99Å; F54-I84 HydrophobicContact CE2-CG1 4.41Å; F54-I84 HydrophobicContact CG-CB 4.23Å; F54-I84 HydrophobicContact CG-CD1 3.94Å; F54-I84 HydrophobicContact CG-CG1 3.8Å; F54-I84 HydrophobicContact CZ-CB 4.12Å
55T88.9Confident92.3Very high42 Ų4251 Ų5126%0.25827%0.273SS..  trans-63.4144.9178.254.90000111.7G29 L33 P53 P63G29-T55 VanDerWaalsContact C-OG1 3.24Å; G29-T55 VanDerWaalsContact CA-OG1 3.24Å; G29-T55 WeakPolarHBondContact CA-OG1 3.37Å; G29-T55 PolarHBondContact O-OG1 2.93Å; L33-T55 WeakPolarHBondContact CD2-O 3.26Å; P53-T55 HydrophobicContact CB-CG2 4.15Å; P53-T55 HydrophobicContact CG-CG2 3.93Å; P53-T55 PolarHBondContact O-N 3.07Å; T55-P63 WeakPolarHBondContact O-CD 3.43Å
56T92.3Very high92.4Very high78 Ų7848.4 Ų48.448%0.47926%0.261SS..  trans-93.6162167.250.10000111.7G60 I61T56-G60 WeakPolarHBondContact CG2-O 3.43Å; T56-I61 CarbonylContact C-O 3.58Å; T56-I61 WeakPolarHBondContact CA-O 3.44Å
57D89.5Confident92.5Very high36 Ų3644.7 Ų44.719%0.19324%0.242CC..  trans-79.3-176.3168.394.2-31.2000112.4L33 L59 G60 I61 F66L33-D57 HydrophobicContact CD1-CB 4.33Å; D57-L59 PolarHBondContact O-N 3.41Å; D57-L59 VanDerWaalsContact O-N 3.12Å; D57-L59 WeakPolarHBondContact OD1-CA 3.33Å; D57-L59 WeakPolarHBondContact OD1-CB 3.37Å; D57-L59 PolarHBondContact OD1-N 2.9Å; D57-G60 PolarHBondContact O-N 3.36Å; D57-G60 PolarHBondContact OD1-N 2.97Å; D57-I61 PolarHBondContact N-O 3.45Å; D57-I61 VanDerWaalsContact OD1-CB 3.27Å; D57-I61 WeakPolarHBondContact OD1-CB 3.21Å; D57-I61 WeakPolarHBondContact OD1-CG1 3.41Å; D57-I61 PolarHBondContact OD1-N 3.19Å; D57-F66 HydrophobicContact CB-CE2 4.5Å
58W89.4Confident92.7Very high189 Ų18944.6 Ų44.672%0.71624%0.241SC*.THydrogen-bonded Turntrans-65.8-10.4-179.967.2-78.3000114.7K91W58-K91 VanDerWaalsContact O-CE 3.32Å; W58-K91 WeakPolarHBondContact O-CE 3.42Å; W58-K91 PolarHBondContact O-NZ 3.1Å
59L89.2Confident92.9Very high65 Ų6545.5 Ų45.534%0.3425%0.245SC..THydrogen-bonded Turntrans-101.31.3172-71.9171.7000113.1D57 I61 K91D57-L59 PolarHBondContact O-N 3.41Å; D57-L59 VanDerWaalsContact O-N 3.12Å; D57-L59 WeakPolarHBondContact OD1-CA 3.33Å; D57-L59 WeakPolarHBondContact OD1-CB 3.37Å; D57-L59 PolarHBondContact OD1-N 2.9Å; L59-I61 VanDerWaalsContact C-N 3.32Å; L59-I61 HydrophobicContact CB-CD1 3.94Å; L59-I61 HydrophobicContact CB-CG1 3.89Å; L59-I61 HydrophobicContact CD1-CD1 4Å; L59-K91 WeakPolarHBondContact O-CB 3.25Å; L59-K91 WeakPolarHBondContact O-CG 3.41Å; L59-K91 PolarHBondContact O-N 3.09Å
60G91.6Very high93.1Very high11 Ų1142.4 Ų42.411%0.11323%0.229CC..  trans80.611-173.600000113.5T56 D57 S62T56-G60 WeakPolarHBondContact CG2-O 3.43Å; D57-G60 PolarHBondContact O-N 3.36Å; D57-G60 PolarHBondContact OD1-N 2.97Å; G60-S62 PolarHBondContact O-N 2.91Å
61I94.5Very high93.5Very high26 Ų2638.1 Ų38.113%0.13321%0.212CC..  trans-75.5116-179.8-55.8173.2000108.1L33 T56 D57 L59 H65 F66 T90L33-I61 WeakPolarHBondContact CD2-O 3.49Å; T56-I61 CarbonylContact C-O 3.58Å; T56-I61 WeakPolarHBondContact CA-O 3.44Å; D57-I61 PolarHBondContact N-O 3.45Å; D57-I61 VanDerWaalsContact OD1-CB 3.27Å; D57-I61 WeakPolarHBondContact OD1-CB 3.21Å; D57-I61 WeakPolarHBondContact OD1-CG1 3.41Å; D57-I61 PolarHBondContact OD1-N 3.19Å; L59-I61 VanDerWaalsContact C-N 3.32Å; L59-I61 HydrophobicContact CB-CD1 3.94Å; L59-I61 HydrophobicContact CB-CG1 3.89Å; L59-I61 HydrophobicContact CD1-CD1 4Å; I61-H65 HydrophobicContact CG2-CB 3.53Å; I61-F66 HydrophobicContact CB-CD2 4.49Å; I61-F66 HydrophobicContact CB-CE2 3.99Å; I61-F66 HydrophobicContact CB-CZ 4.11Å; I61-F66 HydrophobicContact CD1-CE1 4.48Å; I61-F66 HydrophobicContact CD1-CZ 4.26Å; I61-F66 HydrophobicContact CG2-CD1 3.98Å; I61-F66 HydrophobicContact CG2-CD2 3.58Å; I61-F66 HydrophobicContact CG2-CE1 3.89Å; I61-F66 HydrophobicContact CG2-CE2 3.49Å; I61-F66 VanDerWaalsContact CG2-CE2 3.49Å; I61-F66 HydrophobicContact CG2-CG 3.82Å; I61-F66 HydrophobicContact CG2-CZ 3.65Å; I61-T90 HydrophobicContact CG1-CG2 3.97Å
62S95.7Very high94Very high3 Ų338.2 Ų38.22%0.02120%0.2CC..  trans-85.6167.9176.177.90000111.8G60 L64 H65 F66G60-S62 PolarHBondContact O-N 2.91Å; S62-L64 PolarHBondContact O-N 3.26Å; S62-L64 PolarHBondContact OG-N 3.43Å; S62-H65 PolarHBondContact N-ND1 2.75Å; S62-H65 WeakPolarHBondContact O-CB 3.44Å; S62-H65 PolarHBondContact O-N 3.34Å; S62-H65 PolarHBondContact OG-ND1 2.94Å; S62-F66 PolarHBondContact O-N 3.46Å; S62-F66 VanDerWaalsContact O-N 3.15Å
63P96.1Very high94.4Very high0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-55.7-35.4175.2-26.935.5000112.9L32 L33 A36 T55 F66 A67 L79 I84L32-P63 HydrophobicContact CD2-CG 3.94Å; L32-P63 HydrophobicContact CG-CB 4.12Å; L32-P63 HydrophobicContact CG-CG 3.83Å; L33-P63 HydrophobicContact CD2-CG 3.81Å; L33-P63 HydrophobicContact CG-CG 4.23Å; A36-P63 HydrophobicContact CB-CB 3.72Å; A36-P63 WeakPolarHBondContact CB-O 3.12Å; T55-P63 WeakPolarHBondContact O-CD 3.43Å; P63-F66 PolarHBondContact O-N 3.02Å; P63-A67 WeakPolarHBondContact O-CB 3.35Å; P63-A67 PolarHBondContact O-N 3.24Å; P63-L79 HydrophobicContact CB-CD1 3.9Å; P63-L79 HydrophobicContact CB-CD2 3.82Å; P63-I84 HydrophobicContact CB-CD1 4.45Å; P63-I84 HydrophobicContact CG-CD1 4.43Å
64L97.6Very high94.8Very high0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-68.7-35.6177.6-177.761.5000112.3S62 A68 C76 L79 L80 I84 P96 L112S62-L64 PolarHBondContact O-N 3.26Å; S62-L64 PolarHBondContact OG-N 3.43Å; L64-A68 WeakPolarHBondContact O-CB 3.39Å; L64-A68 PolarHBondContact O-N 3.41Å; L64-C76 HydrophobicContact CD1-CB 3.81Å; L64-L79 HydrophobicContact CB-CD1 4.43Å; L64-L79 HydrophobicContact CD1-CB 4.47Å; L64-L80 HydrophobicContact CD1-CG 4.25Å; L64-L80 HydrophobicContact CD2-CD2 3.7Å; L64-L80 HydrophobicContact CD2-CG 4.22Å; L64-I84 HydrophobicContact CB-CD1 4.09Å; L64-I84 HydrophobicContact CB-CG2 4.05Å; L64-I84 HydrophobicContact CD2-CG2 3.75Å; L64-I84 HydrophobicContact CG-CG2 4.42Å; L64-P96 HydrophobicContact CB-CG 4.3Å; L64-P96 HydrophobicContact CD2-CB 4.24Å; L64-P96 HydrophobicContact CD2-CG 3.88Å; L64-P96 HydrophobicContact CG-CB 3.93Å; L64-P96 HydrophobicContact CG-CG 3.81Å; L64-L112 HydrophobicContact CD2-CD2 4.23Å
65H98Very high95.2Very high0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-63.1-45.3172.2-71.593.7000111.7I61 S62 A68 M69 A88 R94 P96 L99I61-H65 HydrophobicContact CG2-CB 3.53Å; S62-H65 PolarHBondContact N-ND1 2.75Å; S62-H65 WeakPolarHBondContact O-CB 3.44Å; S62-H65 PolarHBondContact O-N 3.34Å; S62-H65 PolarHBondContact OG-ND1 2.94Å; H65-A68 PolarHBondContact O-N 3.05Å; H65-M69 VanDerWaalsContact O-CB 3.23Å; H65-M69 WeakPolarHBondContact O-CB 3.34Å; H65-M69 PolarHBondContact O-N 3.34Å; H65-A88 PolarHBondContact CE1-O 3.36Å; H65-A88 PolarHBondContact NE2-O 2.74Å; H65-A88 VanDerWaalsContact NE2-O 3.14Å; H65-R94 PolarHBondContact NE2-O 2.86Å; H65-P96 WeakPolarHBondContact NE2-CD 3.39Å; H65-L99 HydrophobicContact CB-CD1 3.83Å
66F97.4Very high95.6Very high23 Ų2335.5 Ų35.510%0.10119%0.188CC..Hα-helixtrans-64.1-42.4178.2-84.3-55.4000112.4L33 K37 D57 I61 S62 P63 M69 N70L33-F66 HydrophobicContact CB-CD2 4.38Å; L33-F66 HydrophobicContact CB-CE2 4.42Å; L33-F66 HydrophobicContact CD2-CD2 3.78Å; L33-F66 HydrophobicContact CD2-CE2 3.91Å; K37-F66 HydrophobicContact CB-CB 3.85Å; K37-F66 HydrophobicContact CB-CD1 4.07Å; K37-F66 HydrophobicContact CB-CG 3.92Å; K37-F66 HydrophobicContact CD-CD1 4Å; K37-F66 HydrophobicContact CD-CE1 4.03Å; K37-F66 HydrophobicContact CD-CG 4.47Å; K37-F66 HydrophobicContact CD-CZ 4.5Å; K37-F66 HydrophobicContact CG-CD1 3.9Å; K37-F66 HydrophobicContact CG-CE1 4.41Å; K37-F66 HydrophobicContact CG-CG 4.28Å; D57-F66 HydrophobicContact CB-CE2 4.5Å; I61-F66 HydrophobicContact CB-CD2 4.49Å; I61-F66 HydrophobicContact CB-CE2 3.99Å; I61-F66 HydrophobicContact CB-CZ 4.11Å; I61-F66 HydrophobicContact CD1-CE1 4.48Å; I61-F66 HydrophobicContact CD1-CZ 4.26Å; I61-F66 HydrophobicContact CG2-CD1 3.98Å; I61-F66 HydrophobicContact CG2-CD2 3.58Å; I61-F66 HydrophobicContact CG2-CE1 3.89Å; I61-F66 HydrophobicContact CG2-CE2 3.49Å; I61-F66 VanDerWaalsContact CG2-CE2 3.49Å; I61-F66 HydrophobicContact CG2-CG 3.82Å; I61-F66 HydrophobicContact CG2-CZ 3.65Å; S62-F66 PolarHBondContact O-N 3.46Å; S62-F66 VanDerWaalsContact O-N 3.15Å; P63-F66 PolarHBondContact O-N 3.02Å; F66-M69 HydrophobicContact CD1-CE 4.02Å; F66-M69 HydrophobicContact CE1-CE 4.34Å; F66-N70 WeakPolarHBondContact O-CB 3.14Å; F66-N70 PolarHBondContact O-N 3.2Å
67A97.8Very high95.9Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-65.3-42.4175.500000112.1A36 P63 N70 G71 H72 C76 L79A36-A67 HydrophobicContact CB-CB 4.39Å; A36-A67 WeakPolarHBondContact O-CA 3.28Å; P63-A67 WeakPolarHBondContact O-CB 3.35Å; P63-A67 PolarHBondContact O-N 3.24Å; A67-N70 PolarHBondContact O-N 3.26Å; A67-G71 PolarHBondContact O-N 2.87Å; A67-H72 HydrophobicContact CB-CB 4.2Å; A67-H72 PolarHBondContact O-N 3.15Å; A67-C76 VanDerWaalsContact C-SG 3.55Å; A67-C76 VanDerWaalsContact CB-SG 3.51Å; A67-L79 HydrophobicContact CB-CD1 4.18Å
68A98Very high96.2Very high0 Ų033.6 Ų33.60%018%0.175CC..Hα-helixtrans-69.8-39-178.300000113.2L64 H65 C76 P96 A100 H105 I108L64-A68 WeakPolarHBondContact O-CB 3.39Å; L64-A68 PolarHBondContact O-N 3.41Å; H65-A68 PolarHBondContact O-N 3.05Å; A68-C76 PolarHBondContact N-SG 3.37Å; A68-P96 HydrophobicContact CB-CB 4Å; A68-A100 HydrophobicContact CB-CB 4.33Å; A68-H105 PolarHBondContact O-CD2 3.43Å; A68-I108 HydrophobicContact CB-CG2 3.96Å
69M97.4Very high96.5Very high54 Ų5424.6 Ų24.627%0.26614%0.141SC..Hα-helixtrans-66.6-38.1175.7-172.7177.668.900112.1H65 F66 L99 E103 H105H65-M69 VanDerWaalsContact O-CB 3.23Å; H65-M69 WeakPolarHBondContact O-CB 3.34Å; H65-M69 PolarHBondContact O-N 3.34Å; F66-M69 HydrophobicContact CD1-CE 4.02Å; F66-M69 HydrophobicContact CE1-CE 4.34Å; M69-L99 HydrophobicContact CB-CB 4.05Å; M69-L99 HydrophobicContact CB-CD1 4.17Å; M69-L99 HydrophobicContact CG-CB 4.47Å; M69-L99 HydrophobicContact SD-CD1 4.37Å; M69-E103 HydrophobicContact CG-CG 3.99Å; M69-H105 PolarHBondContact O-NE2 2.93Å
70N97.4Very high96.9Very high67 Ų6722.2 Ų22.236%0.35813%0.129SC..THydrogen-bonded Turntrans-93.25.8-172.9-67-4.1000114.5K37 F66 A67 H72K37-N70 PolarHBondContact O-ND2 3.49Å; F66-N70 WeakPolarHBondContact O-CB 3.14Å; F66-N70 PolarHBondContact O-N 3.2Å; A67-N70 PolarHBondContact O-N 3.26Å; N70-H72 VanDerWaalsContact CB-CD2 3.48Å; N70-H72 WeakPolarHBondContact CB-CD2 2.97Å; N70-H72 WeakPolarHBondContact CB-NE2 3.47Å
71G97.2Very high97.1Very high27 Ų2730.5 Ų30.528%0.27816%0.156SC..THydrogen-bonded Turntrans79.618.917700000115.3A67 L73 H105A67-G71 PolarHBondContact O-N 2.87Å; G71-L73 PolarHBondContact O-N 3.04Å; G71-L73 VanDerWaalsContact O-N 3.08Å; G71-H105 VanDerWaalsContact CA-CE1 3.46Å; G71-H105 WeakPolarHBondContact CA-CE1 3.31Å; G71-H105 WeakPolarHBondContact CA-ND1 3.23Å; G71-H105 PolarHBondContact N-NE2 2.9Å
72H98Very high97.1Very high52 Ų5231.1 Ų31.124%0.24117%0.165CC..  trans-88.964.7-173.4-61.2-49.3000113A36 K37 G39 A67 N70 S74 S75 C76A36-H72 PolarHBondContact O-CD2 3.11Å; A36-H72 VanDerWaalsContact O-CD2 3.27Å; K37-H72 PolarHBondContact O-CD2 3.37Å; K37-H72 PolarHBondContact O-NE2 2.97Å; G39-H72 VanDerWaalsContact CA-CD2 3.49Å; G39-H72 WeakPolarHBondContact CA-CD2 3.08Å; G39-H72 VanDerWaalsContact CA-CG 3.42Å; G39-H72 WeakPolarHBondContact CA-ND1 3.33Å; G39-H72 PolarHBondContact N-CD2 3.14Å; G39-H72 PolarHBondContact N-NE2 3.07Å; A67-H72 HydrophobicContact CB-CB 4.2Å; A67-H72 PolarHBondContact O-N 3.15Å; N70-H72 VanDerWaalsContact CB-CD2 3.48Å; N70-H72 WeakPolarHBondContact CB-CD2 2.97Å; N70-H72 WeakPolarHBondContact CB-NE2 3.47Å; H72-S74 VanDerWaalsContact C-N 3.3Å; H72-S74 PolarHBondContact O-N 2.9Å; H72-S74 VanDerWaalsContact O-N 3.15Å; H72-S75 WeakPolarHBondContact O-CA 3.36Å; H72-S75 WeakPolarHBondContact O-CB 3.48Å; H72-S75 PolarHBondContact O-N 3.19Å; H72-C76 PolarHBondContact O-N 3.16Å
73L97.6Very high96.9Very high48 Ų4833.7 Ų33.725%0.25119%0.192SC..Hα-helixtrans-44.2-50.3-177.5-178.871.7000113.4G71 S75 C76 E77 D107 I108 L111G71-L73 PolarHBondContact O-N 3.04Å; G71-L73 VanDerWaalsContact O-N 3.08Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.88Å; L73-C76 WeakPolarHBondContact O-CB 3.48Å; L73-C76 PolarHBondContact O-N 3.14Å; L73-E77 WeakPolarHBondContact O-CB 3.45Å; L73-E77 PolarHBondContact O-N 3.45Å; L73-D107 HydrophobicContact CD1-CB 4.28Å; L73-D107 HydrophobicContact CD2-CB 4.43Å; L73-I108 HydrophobicContact CB-CG1 4.15Å; L73-I108 HydrophobicContact CD1-CG1 3.86Å; L73-L111 HydrophobicContact CD1-CB 4.12Å; L73-L111 HydrophobicContact CD1-CD1 4.4Å; L73-L111 HydrophobicContact CD1-CD2 4.11Å; L73-L111 HydrophobicContact CD1-CG 4.44Å
74S97.7Very high96.8Very high65 Ų6534 Ų3446%0.45519%0.194SC..Hα-helixtrans-66.3-25.1-179.3-57.60000114.1H72 A78H72-S74 VanDerWaalsContact C-N 3.3Å; H72-S74 PolarHBondContact O-N 2.9Å; H72-S74 VanDerWaalsContact O-N 3.15Å; S74-A78 PolarHBondContact O-N 3.34Å
75S97.4Very high96.6Very high1 Ų136.9 Ų36.91%0.00721%0.214CC..Hα-helixtrans-79-40.7172.5-64.80000111.2H72 L73 E77 A78 L79H72-S75 WeakPolarHBondContact O-CA 3.36Å; H72-S75 WeakPolarHBondContact O-CB 3.48Å; H72-S75 PolarHBondContact O-N 3.19Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.88Å; S75-E77 VanDerWaalsContact C-N 3.3Å; S75-E77 PolarHBondContact O-N 3.12Å; S75-A78 PolarHBondContact O-N 2.81Å; S75-L79 WeakPolarHBondContact O-CB 3.43Å; S75-L79 WeakPolarHBondContact O-CD1 3.39Å; S75-L79 VanDerWaalsContact O-CG 3.29Å; S75-L79 WeakPolarHBondContact O-CG 3.38Å; S75-L79 PolarHBondContact O-N 3.43Å
76C97.8Very high96.5Very high0 Ų040.9 Ų40.90%023%0.229CC..Hα-helixtrans-57.2-44.8170.2-61.80000111.2L64 A67 A68 H72 L73 A78 L79 L80 L111L64-C76 HydrophobicContact CD1-CB 3.81Å; A67-C76 VanDerWaalsContact C-SG 3.55Å; A67-C76 VanDerWaalsContact CB-SG 3.51Å; A68-C76 PolarHBondContact N-SG 3.37Å; H72-C76 PolarHBondContact O-N 3.16Å; L73-C76 WeakPolarHBondContact O-CB 3.48Å; L73-C76 PolarHBondContact O-N 3.14Å; C76-A78 PolarHBondContact O-N 3.38Å; C76-L79 PolarHBondContact O-N 2.83Å; C76-L80 WeakPolarHBondContact O-CB 3.34Å; C76-L80 WeakPolarHBondContact O-CG 3.2Å; C76-L80 PolarHBondContact O-N 3.38Å; C76-L111 HydrophobicContact CB-CD2 3.52Å
77E97.7Very high96.3Very high60 Ų6040.7 Ų40.728%0.2823%0.229SC..Hα-helixtrans-57.2-42.5174.1-100.5-164-134.100113.6L73 S75 R81 L111L73-E77 WeakPolarHBondContact O-CB 3.45Å; L73-E77 PolarHBondContact O-N 3.45Å; S75-E77 VanDerWaalsContact C-N 3.3Å; S75-E77 PolarHBondContact O-N 3.12Å; E77-R81 WeakPolarHBondContact O-CB 3.36Å; E77-R81 VanDerWaalsContact O-CG 3.28Å; E77-R81 WeakPolarHBondContact O-CG 3.26Å; E77-R81 PolarHBondContact O-N 3.45Å; E77-R81 PolarHBondContact O-NH1 3.13Å; E77-R81 IonicContact OE2-CZ 2.62Å; E77-R81 IonicContact OE2-NH1 3.2Å; E77-R81 PolarHBondContact OE2-NH1 3.47Å; E77-R81 IonicContact OE2-NH2 3.72Å; E77-R81 PolarHBondContact OE2-NH2 3.27Å; E77-L111 HydrophobicContact CG-CD1 3.6Å
78A96.7Very high96.1Very high14 Ų1441.8 Ų41.812%0.11624%0.238CC..Hα-helixtrans-69.3-44.2178.100000111.6V44 K45 S74 S75 C76 R81 A82V44-A78 HydrophobicContact CG1-CB 4.09Å; K45-A78 HydrophobicContact CG-CB 4.35Å; S74-A78 PolarHBondContact O-N 3.34Å; S75-A78 PolarHBondContact O-N 2.81Å; C76-A78 PolarHBondContact O-N 3.38Å; A78-R81 PolarHBondContact O-N 3.48Å; A78-A82 WeakPolarHBondContact O-CB 3.48Å; A78-A82 PolarHBondContact O-N 3.45Å; A78-A82 VanDerWaalsContact O-N 3.09Å
79L96.5Very high96Very high0 Ų045.5 Ų45.50%025%0.252CS..Hα-helixtrans-66.7-43.4-178.7-73.5163.6000112.7L32 A36 V44 I48 F54 P63 L64 A67 S75 C76 A82 G83 I84L32-L79 HydrophobicContact CD1-CD2 4.33Å; L32-L79 HydrophobicContact CD2-CD2 4.5Å; A36-L79 HydrophobicContact CB-CD1 4.02Å; V44-L79 HydrophobicContact CG1-CD2 4.26Å; V44-L79 HydrophobicContact CG1-CG 4.08Å; I48-L79 HydrophobicContact CD1-CD2 4.1Å; F54-L79 HydrophobicContact CE1-CD2 4.31Å; P63-L79 HydrophobicContact CB-CD1 3.9Å; P63-L79 HydrophobicContact CB-CD2 3.82Å; L64-L79 HydrophobicContact CB-CD1 4.43Å; L64-L79 HydrophobicContact CD1-CB 4.47Å; A67-L79 HydrophobicContact CB-CD1 4.18Å; S75-L79 WeakPolarHBondContact O-CB 3.43Å; S75-L79 WeakPolarHBondContact O-CD1 3.39Å; S75-L79 VanDerWaalsContact O-CG 3.29Å; S75-L79 WeakPolarHBondContact O-CG 3.38Å; S75-L79 PolarHBondContact O-N 3.43Å; C76-L79 PolarHBondContact O-N 2.83Å; L79-A82 PolarHBondContact O-N 3.36Å; L79-G83 PolarHBondContact O-N 3.32Å; L79-I84 HydrophobicContact CB-CG2 4.02Å; L79-I84 HydrophobicContact CD2-CD1 4.37Å; L79-I84 WeakPolarHBondContact O-CG2 3.44Å; L79-I84 PolarHBondContact O-N 2.91Å
80L96.4Very high95.9Very high15 Ų1543.5 Ų43.58%0.07924%0.243CC..Hα-helixtrans-65.5-41.2176.6-72.6169.7000111.9L64 C76 A82 G83 I84 R86 L111 L112 N115L64-L80 HydrophobicContact CD1-CG 4.25Å; L64-L80 HydrophobicContact CD2-CD2 3.7Å; L64-L80 HydrophobicContact CD2-CG 4.22Å; C76-L80 WeakPolarHBondContact O-CB 3.34Å; C76-L80 WeakPolarHBondContact O-CG 3.2Å; C76-L80 PolarHBondContact O-N 3.38Å; L80-A82 PolarHBondContact O-N 3.02Å; L80-G83 PolarHBondContact O-N 3.19Å; L80-I84 HydrophobicContact CD2-CG2 4.44Å; L80-R86 HydrophobicContact CD2-CB 3.66Å; L80-L111 HydrophobicContact CD1-CD2 3.76Å; L80-L111 HydrophobicContact CD1-CG 4.1Å; L80-L112 HydrophobicContact CD1-CD2 4.13Å; L80-L112 HydrophobicContact CD2-CD2 4.49Å; L80-N115 HydrophobicContact CD1-CB 4.34Å
81R95.9Very high95.7Very high185 Ų18547.3 Ų47.370%0.69826%0.257SS*.Hα-helixtrans-65-27174.3-73-176-169109.4-0.3113.2E77 A78 G83E77-R81 WeakPolarHBondContact O-CB 3.36Å; E77-R81 VanDerWaalsContact O-CG 3.28Å; E77-R81 WeakPolarHBondContact O-CG 3.26Å; E77-R81 PolarHBondContact O-N 3.45Å; E77-R81 PolarHBondContact O-NH1 3.13Å; E77-R81 IonicContact OE2-CZ 2.62Å; E77-R81 IonicContact OE2-NH1 3.2Å; E77-R81 PolarHBondContact OE2-NH1 3.47Å; E77-R81 IonicContact OE2-NH2 3.72Å; E77-R81 PolarHBondContact OE2-NH2 3.27Å; A78-R81 PolarHBondContact O-N 3.48Å; R81-G83 PolarHBondContact O-N 3.17Å
82A94Very high95.5Very high39 Ų3948.9 Ų48.932%0.32226%0.261SS..THydrogen-bonded Turntrans-79.9-2.6173.300000113.7I48 F54 A78 L79 L80I48-A82 HydrophobicContact CD1-CB 3.94Å; I48-A82 HydrophobicContact CG1-CB 4.36Å; I48-A82 HydrophobicContact CG2-CB 3.66Å; F54-A82 HydrophobicContact CE1-CB 4.41Å; F54-A82 HydrophobicContact CZ-CB 3.81Å; A78-A82 WeakPolarHBondContact O-CB 3.48Å; A78-A82 PolarHBondContact O-N 3.45Å; A78-A82 VanDerWaalsContact O-N 3.09Å; L79-A82 PolarHBondContact O-N 3.36Å; L80-A82 PolarHBondContact O-N 3.02Å
83G92.4Very high95.3Very high57 Ų5748.1 Ų48.159%0.58826%0.258SS*.THydrogen-bonded Turntrans83.323.8174.200000115.3L79 L80 R81L79-G83 PolarHBondContact O-N 3.32Å; L80-G83 PolarHBondContact O-N 3.19Å; R81-G83 PolarHBondContact O-N 3.17Å
84I94.4Very high95.3Very high7 Ų748 Ų484%0.03626%0.255CS..  trans-61.3147.6168.4-158.7166.5000110.3F54 P63 L64 L79 L80 R86F54-I84 HydrophobicContact CB-CD1 4.06Å; F54-I84 HydrophobicContact CB-CG1 4.06Å; F54-I84 HydrophobicContact CD1-CB 4.32Å; F54-I84 HydrophobicContact CD1-CD1 3.88Å; F54-I84 HydrophobicContact CD1-CG1 4.11Å; F54-I84 HydrophobicContact CD2-CB 4.05Å; F54-I84 HydrophobicContact CD2-CG1 3.95Å; F54-I84 HydrophobicContact CE1-CB 4.28Å; F54-I84 HydrophobicContact CE1-CD1 4.49Å; F54-I84 HydrophobicContact CE2-CB 3.99Å; F54-I84 HydrophobicContact CE2-CG1 4.41Å; F54-I84 HydrophobicContact CG-CB 4.23Å; F54-I84 HydrophobicContact CG-CD1 3.94Å; F54-I84 HydrophobicContact CG-CG1 3.8Å; F54-I84 HydrophobicContact CZ-CB 4.12Å; P63-I84 HydrophobicContact CB-CD1 4.45Å; P63-I84 HydrophobicContact CG-CD1 4.43Å; L64-I84 HydrophobicContact CB-CD1 4.09Å; L64-I84 HydrophobicContact CB-CG2 4.05Å; L64-I84 HydrophobicContact CD2-CG2 3.75Å; L64-I84 HydrophobicContact CG-CG2 4.42Å; L79-I84 HydrophobicContact CB-CG2 4.02Å; L79-I84 HydrophobicContact CD2-CD1 4.37Å; L79-I84 WeakPolarHBondContact O-CG2 3.44Å; L79-I84 PolarHBondContact O-N 2.91Å; L80-I84 HydrophobicContact CD2-CG2 4.44Å; I84-R86 PolarHBondContact O-N 3.21Å
85S93.8Very high95.3Very high61 Ų6145 Ų4543%0.42723%0.233SC..  trans-63.3120.1172.6179.30000110.5D87 A88S85-D87 VanDerWaalsContact C-N 3.29Å; S85-A88 PolarHBondContact OG-N 3.07Å
86R94.1Very high95.3Very high84 Ų8444.9 Ų44.932%0.31723%0.233SC..THydrogen-bonded Turntrans-70.2-27.5-179.877.1-161.381.8-114.1-5.7112.4L80 I84 P96 N115 A117L80-R86 HydrophobicContact CD2-CB 3.66Å; I84-R86 PolarHBondContact O-N 3.21Å; R86-P96 VanDerWaalsContact O-CD 3.28Å; R86-P96 WeakPolarHBondContact O-CD 3.43Å; R86-P96 WeakPolarHBondContact O-CG 3.28Å; R86-N115 WeakPolarHBondContact CD-O 3.21Å; R86-N115 VanDerWaalsContact CZ-O 3.29Å; R86-N115 PolarHBondContact NE-O 3.1Å; R86-N115 PolarHBondContact NH1-O 3.34Å; R86-A117 HydrophobicContact CG-CB 4.12Å
87D94.8Very high95.3Very high18 Ų1845 Ų4510%0.09623%0.233CC..THydrogen-bonded Turntrans-110.922.3-178.8-52.4-62000112.3S85 R89 T95 A117 D118S85-D87 VanDerWaalsContact C-N 3.29Å; D87-R89 PolarHBondContact O-N 2.81Å; D87-T95 HydrophobicContact CB-CG2 4.45Å; D87-A117 VanDerWaalsContact OD1-CA 3.28Å; D87-A117 WeakPolarHBondContact OD1-CA 3.32Å; D87-A117 WeakPolarHBondContact OD1-CB 3.35Å; D87-D118 PolarHBondContact OD1-N 3.34Å
88A93.9Very high95.4Very high23 Ų2342.1 Ų42.119%0.1922%0.22CC..  trans-49.7137.8169.200000109.7H65 S85 T95 P96H65-A88 PolarHBondContact CE1-O 3.36Å; H65-A88 PolarHBondContact NE2-O 2.74Å; H65-A88 VanDerWaalsContact NE2-O 3.14Å; S85-A88 PolarHBondContact OG-N 3.07Å; A88-T95 WeakPolarHBondContact O-CA 3.37Å; A88-P96 WeakPolarHBondContact O-CD 3.32Å
89R95.2Very high95.4Very high78 Ų7842 Ų4229%0.29422%0.217SC..  trans-110.7134.6-176.6-68.7-177.5174.698.70.8111.6D87 D93 T95 D118D87-R89 PolarHBondContact O-N 2.81Å; R89-D93 WeakPolarHBondContact CG-O 3.23Å; R89-T95 HydrophobicContact CG-CG2 3.92Å; R89-D118 IonicContact NH2-OD2 3.47Å
90T94.2Very high95.5Very high12 Ų1242 Ų427%0.07422%0.217CC..  trans-70.1173.1167.958.20000111.7I61 V92 D93 R94I61-T90 HydrophobicContact CG1-CG2 3.97Å; T90-V92 PolarHBondContact O-N 3.46Å; T90-V92 WeakPolarHBondContact OG1-CG2 3.36Å; T90-V92 PolarHBondContact OG1-N 3.24Å; T90-D93 WeakPolarHBondContact O-CA 3.41Å; T90-D93 PolarHBondContact O-N 3.14Å; T90-R94 PolarHBondContact N-O 2.59Å; T90-R94 PolarHBondContact OG1-N 2.95Å; T90-R94 PolarHBondContact OG1-O 3.26Å; T90-R94 VanDerWaalsContact OG1-O 3.12Å
91K93.4Very high95.6Very high148 Ų14841.2 Ų41.264%0.64321%0.213SC*.THydrogen-bonded Turntrans-64.4-3.5171.3-73.7-174.7178.2173.10115.3W58 L59W58-K91 VanDerWaalsContact O-CE 3.32Å; W58-K91 WeakPolarHBondContact O-CE 3.42Å; W58-K91 PolarHBondContact O-NZ 3.1Å; L59-K91 WeakPolarHBondContact O-CB 3.25Å; L59-K91 WeakPolarHBondContact O-CG 3.41Å; L59-K91 PolarHBondContact O-N 3.09Å
92V92.9Very high95.7Very high59 Ų5933.3 Ų33.336%0.35818%0.184SC..THydrogen-bonded Turntrans-116.719.5171.8-610000111T90 R94 M124T90-V92 PolarHBondContact O-N 3.46Å; T90-V92 WeakPolarHBondContact OG1-CG2 3.36Å; T90-V92 PolarHBondContact OG1-N 3.24Å; V92-R94 HydrophobicContact CG2-CB 4.45Å; V92-R94 HydrophobicContact CG2-CG 4.07Å; V92-R94 PolarHBondContact O-N 3.12Å; V92-M124 HydrophobicContact CB-CG 4.02Å; V92-M124 HydrophobicContact CB-SD 3.66Å; V92-M124 HydrophobicContact CG1-SD 3.62Å; V92-M124 PolarHBondContact O-N 2.67Å; V92-M124 VanDerWaalsContact O-N 3.16Å
93D95Very high95.9Very high37 Ų3735.3 Ų35.320%0.19819%0.187CC..  trans66.5-6.2173-55.5-19.8000117.2R89 T90 R439R89-D93 WeakPolarHBondContact CG-O 3.23Å; T90-D93 WeakPolarHBondContact O-CA 3.41Å; T90-D93 PolarHBondContact O-N 3.14Å; D93-R439 IonicContact OD1-CZ 3.49Å; D93-R439 IonicContact OD1-NH1 2.73Å; D93-R439 PolarHBondContact OD1-NH1 2.87Å; D93-R439 IonicContact OD1-NH2 2.75Å; D93-R439 PolarHBondContact OD1-NH2 2.88Å; D93-R439 IonicContact OD2-CZ 3.52Å; D93-R439 IonicContact OD2-NH1 3.41Å; D93-R439 PolarHBondContact OD2-NH1 3.14Å; D93-R439 IonicContact OD2-NH2 3.89Å
94R96.9Very high96.1Very high46 Ų4633.9 Ų33.917%0.17417%0.172CC..  trans-58.2137171-64.3174173.2-158.9-7.7111.3H65 T90 V92 H98 D123 W132H65-R94 PolarHBondContact NE2-O 2.86Å; T90-R94 PolarHBondContact N-O 2.59Å; T90-R94 PolarHBondContact OG1-N 2.95Å; T90-R94 PolarHBondContact OG1-O 3.26Å; T90-R94 VanDerWaalsContact OG1-O 3.12Å; V92-R94 HydrophobicContact CG2-CB 4.45Å; V92-R94 HydrophobicContact CG2-CG 4.07Å; V92-R94 PolarHBondContact O-N 3.12Å; R94-H98 HydrophobicContact CB-CB 3.94Å; R94-H98 HydrophobicContact CG-CB 4.17Å; R94-D123 HydrophobicContact CB-CB 4.48Å; R94-D123 HydrophobicContact CG-CB 3.61Å; R94-D123 IonicContact NE-OD2 3.34Å; R94-D123 PolarHBondContact NE-OD2 3.43Å; R94-W132 VanDerWaalsContact NH2-CZ3 3.29Å
95T97.7Very high96.3Very high0 Ų035.7 Ų35.70%018%0.18CC..  trans-94.7171.7169.766.40000111.1D87 A88 R89 L97 H98 L99 A121D87-T95 HydrophobicContact CB-CG2 4.45Å; A88-T95 WeakPolarHBondContact O-CA 3.37Å; R89-T95 HydrophobicContact CG-CG2 3.92Å; T95-L97 PolarHBondContact O-N 2.89Å; T95-L97 PolarHBondContact OG1-N 3.07Å; T95-H98 PolarHBondContact N-ND1 3.35Å; T95-H98 WeakPolarHBondContact O-CB 3.37Å; T95-H98 PolarHBondContact O-N 2.94Å; T95-H98 VanDerWaalsContact O-N 3.1Å; T95-H98 PolarHBondContact OG1-ND1 3.36Å; T95-L99 PolarHBondContact O-N 3Å; T95-A121 HydrophobicContact CG2-CB 4.25Å
96P97.8Very high96.4Very high0 Ų033.9 Ų33.90%017%0.169CC..Hα-helixtrans-55.6-32.3171.9-26.936.2000113.7L64 H65 A68 R86 A88 L99 A100 L112L64-P96 HydrophobicContact CB-CG 4.3Å; L64-P96 HydrophobicContact CD2-CB 4.24Å; L64-P96 HydrophobicContact CD2-CG 3.88Å; L64-P96 HydrophobicContact CG-CB 3.93Å; L64-P96 HydrophobicContact CG-CG 3.81Å; H65-P96 WeakPolarHBondContact NE2-CD 3.39Å; A68-P96 HydrophobicContact CB-CB 4Å; R86-P96 VanDerWaalsContact O-CD 3.28Å; R86-P96 WeakPolarHBondContact O-CD 3.43Å; R86-P96 WeakPolarHBondContact O-CG 3.28Å; A88-P96 WeakPolarHBondContact O-CD 3.32Å; P96-L99 PolarHBondContact O-N 3.36Å; P96-A100 WeakPolarHBondContact O-CB 3.41Å; P96-A100 PolarHBondContact O-N 3.37Å; P96-L112 HydrophobicContact CB-CD1 4.17Å; P96-L112 HydrophobicContact CB-CD2 4.4Å
97L98.2Very high96.6Very high1 Ų133.5 Ų33.51%0.00517%0.173CC..Hα-helixtrans-63.6-39.5176.6-174.968.3000111.9T95 L99 A101 V109 L112 L113 D118 A129T95-L97 PolarHBondContact O-N 2.89Å; T95-L97 PolarHBondContact OG1-N 3.07Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.12Å; L97-A101 VanDerWaalsContact O-CB 3.23Å; L97-A101 WeakPolarHBondContact O-CB 3.21Å; L97-A101 PolarHBondContact O-N 3.24Å; L97-V109 HydrophobicContact CD1-CB 4.43Å; L97-V109 HydrophobicContact CD1-CG1 4.08Å; L97-V109 HydrophobicContact CD1-CG2 4.32Å; L97-L112 HydrophobicContact CB-CD1 4.23Å; L97-L112 HydrophobicContact CD1-CB 4.09Å; L97-L112 HydrophobicContact CD1-CD1 4.25Å; L97-L113 HydrophobicContact CD1-CD2 4.1Å; L97-L113 HydrophobicContact CD1-CG 4.07Å; L97-L113 HydrophobicContact CD2-CD2 3.84Å; L97-D118 WeakPolarHBondContact CD2-O 3.35Å; L97-A129 HydrophobicContact CD2-CB 4.04Å; L97-A129 HydrophobicContact CG-CB 3.86Å
98H98.3Very high96.7Very high1 Ų132.6 Ų32.61%0.00517%0.168CC..Hα-helixtrans-62.1-40.8175-69.369.9000111.6R94 T95 Q102 A121 D123 M127 W132R94-H98 HydrophobicContact CB-CB 3.94Å; R94-H98 HydrophobicContact CG-CB 4.17Å; T95-H98 PolarHBondContact N-ND1 3.35Å; T95-H98 WeakPolarHBondContact O-CB 3.37Å; T95-H98 PolarHBondContact O-N 2.94Å; T95-H98 VanDerWaalsContact O-N 3.1Å; T95-H98 PolarHBondContact OG1-ND1 3.36Å; H98-Q102 WeakPolarHBondContact O-CB 3.5Å; H98-Q102 PolarHBondContact O-N 3.44Å; H98-A121 PolarHBondContact CE1-O 3.28Å; H98-A121 PolarHBondContact NE2-O 3.16Å; H98-D123 PolarHBondContact NE2-N 3.43Å; H98-M127 PolarHBondContact NE2-O 2.97Å; H98-M127 VanDerWaalsContact NE2-O 3.11Å; H98-W132 AromaticContact CD2-CD1 3.66Å; H98-W132 AromaticContact CD2-NE1 3.83Å
99L97.7Very high96.9Very high10 Ų1031.5 Ų31.55%0.05216%0.159CC..Hα-helixtrans-74.3-41.3-179.2-58.4-174.1000112.1H65 M69 T95 P96 L97 A101 Q102 E103H65-L99 HydrophobicContact CB-CD1 3.83Å; M69-L99 HydrophobicContact CB-CB 4.05Å; M69-L99 HydrophobicContact CB-CD1 4.17Å; M69-L99 HydrophobicContact CG-CB 4.47Å; M69-L99 HydrophobicContact SD-CD1 4.37Å; T95-L99 PolarHBondContact O-N 3Å; P96-L99 PolarHBondContact O-N 3.36Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.12Å; L99-A101 VanDerWaalsContact C-N 3.27Å; L99-A101 PolarHBondContact O-N 3.48Å; L99-Q102 PolarHBondContact O-N 3.29Å; L99-E103 PolarHBondContact O-N 2.86Å
100A98.2Very high97Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-59.7-39.7172.800000111.5A68 P96 G104 H105 I108 V109 L112A68-A100 HydrophobicContact CB-CB 4.33Å; P96-A100 WeakPolarHBondContact O-CB 3.41Å; P96-A100 PolarHBondContact O-N 3.37Å; A100-G104 PolarHBondContact O-N 3.31Å; A100-G104 VanDerWaalsContact O-N 3.09Å; A100-H105 PolarHBondContact O-N 3.5Å; A100-I108 HydrophobicContact CB-CB 4.18Å; A100-I108 HydrophobicContact CB-CG2 3.79Å; A100-V109 HydrophobicContact CB-CG2 3.78Å; A100-L112 HydrophobicContact CB-CD1 4.24Å
101A98.1Very high97.2Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-73.1-35.2177.300000113.7L97 L99 E103 V109 A129 A133 H138 V141 L145L97-A101 VanDerWaalsContact O-CB 3.23Å; L97-A101 WeakPolarHBondContact O-CB 3.21Å; L97-A101 PolarHBondContact O-N 3.24Å; L99-A101 VanDerWaalsContact C-N 3.27Å; L99-A101 PolarHBondContact O-N 3.48Å; A101-E103 VanDerWaalsContact C-N 3.35Å; A101-V109 HydrophobicContact CB-CG2 4.38Å; A101-A129 HydrophobicContact CB-CB 3.96Å; A101-A129 WeakPolarHBondContact CB-O 3.38Å; A101-A133 HydrophobicContact CB-CB 4.44Å; A101-H138 PolarHBondContact O-CD2 3.39Å; A101-V141 HydrophobicContact CB-CG1 3.91Å; A101-L145 HydrophobicContact CB-CD1 4.49Å
102Q97.8Very high97.4Very high19 Ų1923.3 Ų23.39%0.08913%0.126CC..Hα-helixtrans-68.2-31.4175.2-167.1-164.6-89.100112.8H98 L99 W132 R136 H138H98-Q102 WeakPolarHBondContact O-CB 3.5Å; H98-Q102 PolarHBondContact O-N 3.44Å; L99-Q102 PolarHBondContact O-N 3.29Å; Q102-W132 HydrophobicContact CB-CB 4.18Å; Q102-W132 HydrophobicContact CG-CD2 4.47Å; Q102-W132 HydrophobicContact CG-CE3 3.9Å; Q102-R136 HydrophobicContact CG-CG 4.19Å; Q102-R136 WeakPolarHBondContact O-CD 3.32Å; Q102-R136 VanDerWaalsContact O-CG 3.28Å; Q102-R136 WeakPolarHBondContact O-CG 3.5Å; Q102-R136 PolarHBondContact O-NE 3.28Å; Q102-H138 PolarHBondContact O-NE2 3.33Å
103E97.9Very high97.5Very high81 Ų8121.2 Ų21.238%0.37911%0.113SC..Hα-helixtrans-104.72.5-175.7-56.7-58.8121.200113.7M69 L99 A101 H105M69-E103 HydrophobicContact CG-CG 3.99Å; L99-E103 PolarHBondContact O-N 2.86Å; A101-E103 VanDerWaalsContact C-N 3.35Å; E103-H105 WeakPolarHBondContact CB-NE2 3.35Å
104G97.3Very high97.6Very high26 Ų2627.3 Ų27.327%0.26813%0.133SC..THydrogen-bonded Turntrans90.78.3166.300000116.6A100 A106 H138A100-G104 PolarHBondContact O-N 3.31Å; A100-G104 VanDerWaalsContact O-N 3.09Å; G104-A106 VanDerWaalsContact C-N 3.34Å; G104-A106 PolarHBondContact O-N 3.01Å; G104-H138 WeakPolarHBondContact CA-CD2 3.47Å; G104-H138 PolarHBondContact N-CD2 3.14Å; G104-H138 PolarHBondContact N-NE2 3.46Å
105H98Very high97.4Very high45 Ų4528 Ų2821%0.20814%0.141CC..  trans-80.574.4-172.4-52.9-58.5000112A68 M69 G71 A100 E103 D107 I108 V109A68-H105 PolarHBondContact O-CD2 3.43Å; M69-H105 PolarHBondContact O-NE2 2.93Å; G71-H105 VanDerWaalsContact CA-CE1 3.46Å; G71-H105 WeakPolarHBondContact CA-CE1 3.31Å; G71-H105 WeakPolarHBondContact CA-ND1 3.23Å; G71-H105 PolarHBondContact N-NE2 2.9Å; A100-H105 PolarHBondContact O-N 3.5Å; E103-H105 WeakPolarHBondContact CB-NE2 3.35Å; H105-D107 PolarHBondContact O-N 2.93Å; H105-I108 HydrophobicContact CB-CB 3.95Å; H105-I108 HydrophobicContact CB-CD1 3.93Å; H105-I108 HydrophobicContact CB-CG1 4.02Å; H105-I108 PolarHBondContact O-N 3.23Å; H105-V109 WeakPolarHBondContact O-CG2 3.2Å; H105-V109 PolarHBondContact O-N 2.96Å
106A97Very high97.2Very high23 Ų2330.7 Ų30.719%0.1917%0.168CC..Hα-helixtrans-60.5-26.4-174.900000114.4G104 E110 P140 V141G104-A106 VanDerWaalsContact C-N 3.34Å; G104-A106 PolarHBondContact O-N 3.01Å; A106-E110 WeakPolarHBondContact O-CB 3.42Å; A106-E110 PolarHBondContact O-N 3.16Å; A106-P140 HydrophobicContact CB-CB 4.25Å; A106-V141 HydrophobicContact CB-CG2 3.88Å
107D97.5Very high97.1Very high76 Ų7631.1 Ų31.141%0.40617%0.171SC..Hα-helixtrans-70.6-41.5172.460.4-26.6000112.3L73 H105 E110 L111L73-D107 HydrophobicContact CD1-CB 4.28Å; L73-D107 HydrophobicContact CD2-CB 4.43Å; H105-D107 PolarHBondContact O-N 2.93Å; D107-E110 PolarHBondContact O-N 3.25Å; D107-L111 WeakPolarHBondContact O-CB 3.49Å; D107-L111 PolarHBondContact O-N 2.96Å
108I98.2Very high96.9Very high0 Ų033.4 Ų33.40%018%0.184CC..Hα-helixtrans-69.6-35.8173.2-60.1-177.4000110.9A68 L73 A100 H105 L111 L112A68-I108 HydrophobicContact CB-CG2 3.96Å; L73-I108 HydrophobicContact CB-CG1 4.15Å; L73-I108 HydrophobicContact CD1-CG1 3.86Å; A100-I108 HydrophobicContact CB-CB 4.18Å; A100-I108 HydrophobicContact CB-CG2 3.79Å; H105-I108 HydrophobicContact CB-CB 3.95Å; H105-I108 HydrophobicContact CB-CD1 3.93Å; H105-I108 HydrophobicContact CB-CG1 4.02Å; H105-I108 PolarHBondContact O-N 3.23Å; I108-L111 WeakPolarHBondContact O-CB 3.44Å; I108-L111 PolarHBondContact O-N 2.86Å; I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 HydrophobicContact CG2-CG 4.33Å; I108-L112 WeakPolarHBondContact O-CB 3.29Å; I108-L112 VanDerWaalsContact O-CG 3.28Å; I108-L112 WeakPolarHBondContact O-CG 3.39Å; I108-L112 PolarHBondContact O-N 3.1Å
109V98Very high96.7Very high0 Ų035.1 Ų35.10%019%0.192CC..Hα-helixtrans-62-49.5171.61700000110.5L97 A100 A101 H105 L111 L112 L113 V141 M144 L145L97-V109 HydrophobicContact CD1-CB 4.43Å; L97-V109 HydrophobicContact CD1-CG1 4.08Å; L97-V109 HydrophobicContact CD1-CG2 4.32Å; A100-V109 HydrophobicContact CB-CG2 3.78Å; A101-V109 HydrophobicContact CB-CG2 4.38Å; H105-V109 WeakPolarHBondContact O-CG2 3.2Å; H105-V109 PolarHBondContact O-N 2.96Å; V109-L111 VanDerWaalsContact C-N 3.31Å; V109-L111 PolarHBondContact O-N 3.09Å; V109-L112 PolarHBondContact O-N 2.69Å; V109-L113 HydrophobicContact CG1-CD1 3.72Å; V109-L113 HydrophobicContact CG1-CG 4.47Å; V109-L113 WeakPolarHBondContact O-CB 3.31Å; V109-L113 VanDerWaalsContact O-CG 3.27Å; V109-L113 WeakPolarHBondContact O-CG 3.43Å; V109-L113 PolarHBondContact O-N 3.35Å; V109-V141 HydrophobicContact CG1-CG1 4.49Å; V109-V141 HydrophobicContact CG2-CG1 4.09Å; V109-M144 HydrophobicContact CG1-CG 4.43Å; V109-L145 HydrophobicContact CG1-CD2 3.91Å; V109-L145 HydrophobicContact CG1-CG 4.21Å
110E97.4Very high96.5Very high40 Ų4038.1 Ų38.119%0.18721%0.214CC..Hα-helixtrans-63-36.2176.5-164.6-178.5-131.800112.1A106 D107 R114 M144 R147 F148A106-E110 WeakPolarHBondContact O-CB 3.42Å; A106-E110 PolarHBondContact O-N 3.16Å; D107-E110 PolarHBondContact O-N 3.25Å; E110-R114 WeakPolarHBondContact O-CB 3.09Å; E110-R114 WeakPolarHBondContact O-CG 3.38Å; E110-R114 PolarHBondContact O-N 3.18Å; E110-R114 IonicContact OE1-CZ 3.03Å; E110-R114 IonicContact OE1-NH1 3.99Å; E110-R114 IonicContact OE1-NH2 2.81Å; E110-R114 PolarHBondContact OE1-NH2 2.98Å; E110-R114 IonicContact OE2-CZ 2.71Å; E110-R114 IonicContact OE2-NH1 2.7Å; E110-R114 PolarHBondContact OE2-NH1 3.49Å; E110-R114 IonicContact OE2-NH2 3.15Å; E110-R114 PolarHBondContact OE2-NH2 3.06Å; E110-M144 HydrophobicContact CB-CG 4.23Å; E110-M144 HydrophobicContact CB-SD 4.28Å; E110-M144 HydrophobicContact CG-SD 4.06Å; E110-R147 IonicContact OE1-CZ 3.48Å; E110-R147 IonicContact OE1-NH1 2.67Å; E110-R147 IonicContact OE1-NH2 3.97Å; E110-R147 PolarHBondContact OE1-NH2 3.41Å; E110-F148 HydrophobicContact CG-CE2 4.05Å; E110-F148 HydrophobicContact CG-CZ 4.25Å
111L97.6Very high96.4Very high26 Ų2638.2 Ų38.214%0.13622%0.215CC..Hα-helixtrans-61-50.9173.2179.689.8000112L73 C76 E77 L80 D107 I108 V109 N115L73-L111 HydrophobicContact CD1-CB 4.12Å; L73-L111 HydrophobicContact CD1-CD1 4.4Å; L73-L111 HydrophobicContact CD1-CD2 4.11Å; L73-L111 HydrophobicContact CD1-CG 4.44Å; C76-L111 HydrophobicContact CB-CD2 3.52Å; E77-L111 HydrophobicContact CG-CD1 3.6Å; L80-L111 HydrophobicContact CD1-CD2 3.76Å; L80-L111 HydrophobicContact CD1-CG 4.1Å; D107-L111 WeakPolarHBondContact O-CB 3.49Å; D107-L111 PolarHBondContact O-N 2.96Å; I108-L111 WeakPolarHBondContact O-CB 3.44Å; I108-L111 PolarHBondContact O-N 2.86Å; V109-L111 VanDerWaalsContact C-N 3.31Å; V109-L111 PolarHBondContact O-N 3.09Å; L111-N115 WeakPolarHBondContact O-CB 3.3Å; L111-N115 PolarHBondContact O-N 3.37Å; L111-N115 VanDerWaalsContact O-N 3.11Å; L111-N115 PolarHBondContact O-ND2 3.07Å
112L97.4Very high96.3Very high0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-64.8-42.8-177.7-74.8167.4000111.3L64 L80 P96 L97 A100 I108 V109 N115 G116 A117L64-L112 HydrophobicContact CD2-CD2 4.23Å; L80-L112 HydrophobicContact CD1-CD2 4.13Å; L80-L112 HydrophobicContact CD2-CD2 4.49Å; P96-L112 HydrophobicContact CB-CD1 4.17Å; P96-L112 HydrophobicContact CB-CD2 4.4Å; L97-L112 HydrophobicContact CB-CD1 4.23Å; L97-L112 HydrophobicContact CD1-CB 4.09Å; L97-L112 HydrophobicContact CD1-CD1 4.25Å; A100-L112 HydrophobicContact CB-CD1 4.24Å; I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 HydrophobicContact CG2-CG 4.33Å; I108-L112 WeakPolarHBondContact O-CB 3.29Å; I108-L112 VanDerWaalsContact O-CG 3.28Å; I108-L112 WeakPolarHBondContact O-CG 3.39Å; I108-L112 PolarHBondContact O-N 3.1Å; V109-L112 PolarHBondContact O-N 2.69Å; L112-N115 CarbonylContact O-C 3Å; L112-N115 WeakPolarHBondContact O-CA 3.38Å; L112-N115 WeakPolarHBondContact O-CB 3.44Å; L112-N115 PolarHBondContact O-N 3.22Å; L112-G116 PolarHBondContact O-N 3.23Å; L112-A117 HydrophobicContact CB-CB 4.02Å; L112-A117 VanDerWaalsContact O-CB 3.31Å; L112-A117 WeakPolarHBondContact O-CB 3.06Å; L112-A117 PolarHBondContact O-N 3.45Å
113L96.1Very high96.1Very high15 Ų1541.9 Ų41.98%0.07923%0.232CC..Hα-helixtrans-69.7-39.5179-64.1171.3000112.4L97 V109 N115 G116 L119 L145 F148L97-L113 HydrophobicContact CD1-CD2 4.1Å; L97-L113 HydrophobicContact CD1-CG 4.07Å; L97-L113 HydrophobicContact CD2-CD2 3.84Å; V109-L113 HydrophobicContact CG1-CD1 3.72Å; V109-L113 HydrophobicContact CG1-CG 4.47Å; V109-L113 WeakPolarHBondContact O-CB 3.31Å; V109-L113 VanDerWaalsContact O-CG 3.27Å; V109-L113 WeakPolarHBondContact O-CG 3.43Å; V109-L113 PolarHBondContact O-N 3.35Å; L113-N115 PolarHBondContact O-N 2.88Å; L113-G116 PolarHBondContact O-N 3.02Å; L113-L119 HydrophobicContact CD1-CD1 4.25Å; L113-L119 HydrophobicContact CD2-CB 4.09Å; L113-L119 HydrophobicContact CD2-CD1 3.72Å; L113-L119 HydrophobicContact CD2-CG 4.42Å; L113-L145 HydrophobicContact CD1-CD2 4.04Å; L113-F148 HydrophobicContact CB-CD1 3.93Å; L113-F148 HydrophobicContact CB-CD2 4.13Å; L113-F148 HydrophobicContact CB-CE1 3.83Å; L113-F148 HydrophobicContact CB-CE2 4.04Å; L113-F148 HydrophobicContact CB-CG 4.08Å; L113-F148 HydrophobicContact CB-CZ 3.89Å; L113-F148 HydrophobicContact CD1-CB 4.02Å; L113-F148 HydrophobicContact CD1-CD1 4.46Å; L113-F148 HydrophobicContact CD1-CD2 3.54Å; L113-F148 HydrophobicContact CD1-CE2 4.05Å; L113-F148 HydrophobicContact CD1-CG 3.77Å; L113-F148 HydrophobicContact CG-CD2 4.48Å; L113-F148 HydrophobicContact CG-CG 4.48Å
114R95.5Very high96Very high165 Ų16543 Ų4362%0.62324%0.238SC*.Hα-helixtrans-62.3-20.3168.1-78.4-169.9-176.6114.910.5113.6E110 G116 F148E110-R114 WeakPolarHBondContact O-CB 3.09Å; E110-R114 WeakPolarHBondContact O-CG 3.38Å; E110-R114 PolarHBondContact O-N 3.18Å; E110-R114 IonicContact OE1-CZ 3.03Å; E110-R114 IonicContact OE1-NH1 3.99Å; E110-R114 IonicContact OE1-NH2 2.81Å; E110-R114 PolarHBondContact OE1-NH2 2.98Å; E110-R114 IonicContact OE2-CZ 2.71Å; E110-R114 IonicContact OE2-NH1 2.7Å; E110-R114 PolarHBondContact OE2-NH1 3.49Å; E110-R114 IonicContact OE2-NH2 3.15Å; E110-R114 PolarHBondContact OE2-NH2 3.06Å; R114-G116 VanDerWaalsContact C-N 3.35Å; R114-F148 HydrophobicContact CG-CZ 4.3Å
115N94.6Very high95.8Very high61 Ų6144.2 Ų44.233%0.32624%0.238SC..THydrogen-bonded Turntrans-90.75.2173.3-87-92.9000112.7L80 R86 L111 L112 L113L80-N115 HydrophobicContact CD1-CB 4.34Å; R86-N115 WeakPolarHBondContact CD-O 3.21Å; R86-N115 VanDerWaalsContact CZ-O 3.29Å; R86-N115 PolarHBondContact NE-O 3.1Å; R86-N115 PolarHBondContact NH1-O 3.34Å; L111-N115 WeakPolarHBondContact O-CB 3.3Å; L111-N115 PolarHBondContact O-N 3.37Å; L111-N115 VanDerWaalsContact O-N 3.11Å; L111-N115 PolarHBondContact O-ND2 3.07Å; L112-N115 CarbonylContact O-C 3Å; L112-N115 WeakPolarHBondContact O-CA 3.38Å; L112-N115 WeakPolarHBondContact O-CB 3.44Å; L112-N115 PolarHBondContact O-N 3.22Å; L113-N115 PolarHBondContact O-N 2.88Å
116G92.7Very high95.6Very high56 Ų5650.1 Ų50.158%0.57726%0.258SS*.THydrogen-bonded Turntrans71.431.9179.200000114.2L112 L113 R114L112-G116 PolarHBondContact O-N 3.23Å; L113-G116 PolarHBondContact O-N 3.02Å; R114-G116 VanDerWaalsContact C-N 3.35Å
117A95.6Very high95.6Very high8 Ų849.4 Ų49.47%0.06625%0.251CS..  trans-66.3144.7167.900000111R86 D87 L112 L119R86-A117 HydrophobicContact CG-CB 4.12Å; D87-A117 VanDerWaalsContact OD1-CA 3.28Å; D87-A117 WeakPolarHBondContact OD1-CA 3.32Å; D87-A117 WeakPolarHBondContact OD1-CB 3.35Å; L112-A117 HydrophobicContact CB-CB 4.02Å; L112-A117 VanDerWaalsContact O-CB 3.31Å; L112-A117 WeakPolarHBondContact O-CB 3.06Å; L112-A117 PolarHBondContact O-N 3.45Å; A117-L119 PolarHBondContact O-N 2.98Å; A117-L119 VanDerWaalsContact O-N 3.1Å
118D94.9Very high95.6Very high50 Ų5046 Ų4627%0.26723%0.233SC..  trans-67.1106.5-176.1174.113.4000111.1D87 R89 L97 S120 A121D87-D118 PolarHBondContact OD1-N 3.34Å; R89-D118 IonicContact NH2-OD2 3.47Å; L97-D118 WeakPolarHBondContact CD2-O 3.35Å; D118-S120 VanDerWaalsContact C-N 3.31Å; D118-S120 WeakPolarHBondContact OD1-CA 3.45Å; D118-S120 WeakPolarHBondContact OD1-CB 3.39Å; D118-S120 PolarHBondContact OD1-N 3.23Å; D118-S120 PolarHBondContact OD1-OG 3.38Å; D118-A121 HydrophobicContact CB-CB 4Å; D118-A121 VanDerWaalsContact CG-N 3.31Å; D118-A121 VanDerWaalsContact O-CB 3.25Å; D118-A121 WeakPolarHBondContact O-CB 3.4Å; D118-A121 PolarHBondContact O-N 2.92Å; D118-A121 PolarHBondContact OD1-N 2.76Å; D118-A121 VanDerWaalsContact OD2-CA 3.29Å; D118-A121 WeakPolarHBondContact OD2-CA 3.38Å; D118-A121 VanDerWaalsContact OD2-CB 3.27Å; D118-A121 WeakPolarHBondContact OD2-CB 3.3Å; D118-A121 PolarHBondContact OD2-N 3.19Å
119L94Very high95.6Very high36 Ų3646 Ų4619%0.18823%0.234CC..THydrogen-bonded Turntrans-70.4-28.4177.8-175.463.3000112.5L113 A117 A121 L145 F148 A150L113-L119 HydrophobicContact CD1-CD1 4.25Å; L113-L119 HydrophobicContact CD2-CB 4.09Å; L113-L119 HydrophobicContact CD2-CD1 3.72Å; L113-L119 HydrophobicContact CD2-CG 4.42Å; A117-L119 PolarHBondContact O-N 2.98Å; A117-L119 VanDerWaalsContact O-N 3.1Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-L145 HydrophobicContact CD1-CD2 3.46Å; L119-L145 VanDerWaalsContact CD1-CD2 3.46Å; L119-F148 HydrophobicContact CD2-CB 4.04Å; L119-F148 VanDerWaalsContact CD2-O 3.26Å; L119-F148 WeakPolarHBondContact CD2-O 3.19Å; L119-A150 HydrophobicContact CD1-CB 4.08Å; L119-A150 HydrophobicContact CD2-CB 4.13Å; L119-A150 HydrophobicContact CG-CB 4.2Å
120S93.2Very high95.5Very high73 Ų7346.1 Ų46.151%0.5123%0.234SC..THydrogen-bonded Turntrans-83.4-11.6-179.7800000113.1D118 K122D118-S120 VanDerWaalsContact C-N 3.31Å; D118-S120 WeakPolarHBondContact OD1-CA 3.45Å; D118-S120 WeakPolarHBondContact OD1-CB 3.39Å; D118-S120 PolarHBondContact OD1-N 3.23Å; D118-S120 PolarHBondContact OD1-OG 3.38Å; S120-K122 PolarHBondContact O-N 2.84Å
121A94.8Very high95.6Very high3 Ų344.2 Ų44.23%0.02523%0.225CC..  trans-48.4131.6-175.400000111.9T95 H98 D118 L119 T128T95-A121 HydrophobicContact CG2-CB 4.25Å; H98-A121 PolarHBondContact CE1-O 3.28Å; H98-A121 PolarHBondContact NE2-O 3.16Å; D118-A121 HydrophobicContact CB-CB 4Å; D118-A121 VanDerWaalsContact CG-N 3.31Å; D118-A121 VanDerWaalsContact O-CB 3.25Å; D118-A121 WeakPolarHBondContact O-CB 3.4Å; D118-A121 PolarHBondContact O-N 2.92Å; D118-A121 PolarHBondContact OD1-N 2.76Å; D118-A121 VanDerWaalsContact OD2-CA 3.29Å; D118-A121 WeakPolarHBondContact OD2-CA 3.38Å; D118-A121 VanDerWaalsContact OD2-CB 3.27Å; D118-A121 WeakPolarHBondContact OD2-CB 3.3Å; D118-A121 PolarHBondContact OD2-N 3.19Å; L119-A121 VanDerWaalsContact C-N 3.33Å; A121-T128 WeakPolarHBondContact O-CA 3.37Å
122K96.2Very high95.6Very high88 Ų8843.7 Ų43.738%0.38322%0.221SC..  trans-116133.7-178.1-76.2162.9-171.3167.40110.6S120 T128S120-K122 PolarHBondContact O-N 2.84Å; K122-T128 HydrophobicContact CG-CG2 3.74Å
123D94.9Very high95.6Very high8 Ų843.7 Ų43.74%0.04322%0.221CC..  trans-82.7-175173.482.63.8000113.1R94 H98 L125 R126 M127 W132R94-D123 HydrophobicContact CB-CB 4.48Å; R94-D123 HydrophobicContact CG-CB 3.61Å; R94-D123 IonicContact NE-OD2 3.34Å; R94-D123 PolarHBondContact NE-OD2 3.43Å; H98-D123 PolarHBondContact NE2-N 3.43Å; D123-L125 PolarHBondContact O-N 2.84Å; D123-L125 WeakPolarHBondContact OD1-CA 3.23Å; D123-L125 WeakPolarHBondContact OD1-CB 3.3Å; D123-L125 PolarHBondContact OD1-N 2.93Å; D123-R126 WeakPolarHBondContact O-CA 3.45Å; D123-R126 PolarHBondContact O-N 3.15Å; D123-M127 PolarHBondContact N-O 3.2Å; D123-M127 PolarHBondContact OD1-N 3.45Å; D123-W132 VanDerWaalsContact OD2-CZ2 3.28Å; D123-W132 WeakPolarHBondContact OD2-CZ2 3.33Å; D123-W132 PolarHBondContact OD2-NE1 2.97Å
124M94.3Very high95.6Very high104 Ų10443 Ų4351%0.51222%0.218SC..THydrogen-bonded Turntrans-63.4-12.3-17770167.9-68.400114.8V92V92-M124 HydrophobicContact CB-CG 4.02Å; V92-M124 HydrophobicContact CB-SD 3.66Å; V92-M124 HydrophobicContact CG1-SD 3.62Å; V92-M124 PolarHBondContact O-N 2.67Å; V92-M124 VanDerWaalsContact O-N 3.16Å
125L93.4Very high95.7Very high51 Ų5137.2 Ų37.227%0.26720%0.198SC..THydrogen-bonded Turntrans-100.810.6173.2-58.8179.8000111.9D123 M127 N156 K157 F158D123-L125 PolarHBondContact O-N 2.84Å; D123-L125 WeakPolarHBondContact OD1-CA 3.23Å; D123-L125 WeakPolarHBondContact OD1-CB 3.3Å; D123-L125 PolarHBondContact OD1-N 2.93Å; L125-M127 HydrophobicContact CB-CG 4.09Å; L125-M127 HydrophobicContact CB-SD 4.17Å; L125-M127 HydrophobicContact CD1-SD 4.14Å; L125-M127 PolarHBondContact O-N 3.38Å; L125-N156 WeakPolarHBondContact O-CB 3.39Å; L125-K157 WeakPolarHBondContact O-CB 3.4Å; L125-K157 PolarHBondContact O-N 3.35Å; L125-F158 HydrophobicContact CD1-CE2 4.49Å; L125-F158 HydrophobicContact CD2-CE2 4.34Å; L125-F158 HydrophobicContact CD2-CZ 4.4Å
126R94.6Very high95.8Very high169 Ų16939 Ų3964%0.63820%0.2SC*.SBendtrans57.417.2-168-64.4-176.9168.5-165.8-4.7114D123D123-R126 WeakPolarHBondContact O-CA 3.45Å; D123-R126 PolarHBondContact O-N 3.15Å
127M97Very high96Very high9 Ų937.4 Ų37.44%0.04418%0.183CC..  trans-79.9133.1177.2-70.8175.466.900109.8H98 D123 L125 H131 W132 N156 I165H98-M127 PolarHBondContact NE2-O 2.97Å; H98-M127 VanDerWaalsContact NE2-O 3.11Å; D123-M127 PolarHBondContact N-O 3.2Å; D123-M127 PolarHBondContact OD1-N 3.45Å; L125-M127 HydrophobicContact CB-CG 4.09Å; L125-M127 HydrophobicContact CB-SD 4.17Å; L125-M127 HydrophobicContact CD1-SD 4.14Å; L125-M127 PolarHBondContact O-N 3.38Å; M127-H131 HydrophobicContact CB-CB 3.84Å; M127-H131 HydrophobicContact CE-CB 3.87Å; M127-H131 HydrophobicContact CG-CB 4.06Å; M127-W132 HydrophobicContact CB-CZ2 4.25Å; M127-W132 HydrophobicContact CE-CD2 3.69Å; M127-W132 HydrophobicContact CE-CE3 3.87Å; M127-W132 HydrophobicContact CE-CG 4.28Å; M127-W132 HydrophobicContact CE-CH2 3.65Å; M127-W132 HydrophobicContact CE-CZ2 3.5Å; M127-W132 HydrophobicContact CE-CZ3 3.87Å; M127-W132 HydrophobicContact CG-CZ2 4.47Å; M127-W132 HydrophobicContact SD-CH2 3.78Å; M127-W132 HydrophobicContact SD-CZ2 3.43Å; M127-W132 WeakPolarHBondContact SD-CZ2 3.37Å; M127-N156 HydrophobicContact CG-CB 3.68Å; M127-I165 HydrophobicContact CE-CD1 4.35Å
128T97.3Very high96.1Very high4 Ų439.5 Ų39.53%0.02519%0.192CC..  trans-89.3174.7171.265.90000111.5A121 K122 L130 H131 W132 L154A121-T128 WeakPolarHBondContact O-CA 3.37Å; K122-T128 HydrophobicContact CG-CG2 3.74Å; T128-L130 PolarHBondContact O-N 2.71Å; T128-L130 PolarHBondContact OG1-N 3.42Å; T128-H131 PolarHBondContact N-ND1 2.75Å; T128-H131 VanDerWaalsContact N-ND1 3.16Å; T128-H131 WeakPolarHBondContact O-CB 3.26Å; T128-H131 PolarHBondContact O-N 3.4Å; T128-H131 VanDerWaalsContact O-N 3.14Å; T128-H131 PolarHBondContact OG1-ND1 3.01Å; T128-W132 VanDerWaalsContact O-CD1 3.31Å; T128-W132 PolarHBondContact O-N 3.22Å; T128-L154 HydrophobicContact CG2-CD1 3.78Å
129A97.6Very high96.1Very high1 Ų138.3 Ų38.31%0.00819%0.187CC..Hα-helixtrans-54.1-35.5172.200000113.2L97 A101 W132 A133 L145L97-A129 HydrophobicContact CD2-CB 4.04Å; L97-A129 HydrophobicContact CG-CB 3.86Å; A101-A129 HydrophobicContact CB-CB 3.96Å; A101-A129 WeakPolarHBondContact CB-O 3.38Å; A129-W132 PolarHBondContact O-N 2.83Å; A129-A133 PolarHBondContact O-N 3.36Å; A129-L145 HydrophobicContact CB-CD1 4.22Å; A129-L145 HydrophobicContact CB-CD2 4.1Å
130L97.4Very high96.2Very high2 Ų240.5 Ų40.51%0.0120%0.203CC..Hα-helixtrans-68.6-38178.5-174.462.2000112.3T128 W132 A133 A134 V142 L145 M146 A150 A152 P162 M178T128-L130 PolarHBondContact O-N 2.71Å; T128-L130 PolarHBondContact OG1-N 3.42Å; L130-W132 VanDerWaalsContact C-N 3.34Å; L130-W132 PolarHBondContact O-N 2.97Å; L130-A133 PolarHBondContact O-N 2.91Å; L130-A134 WeakPolarHBondContact O-CB 3.4Å; L130-A134 PolarHBondContact O-N 3Å; L130-V142 HydrophobicContact CD1-CB 4.46Å; L130-V142 HydrophobicContact CD1-CG1 4.13Å; L130-V142 HydrophobicContact CD1-CG2 4.38Å; L130-L145 HydrophobicContact CB-CD1 4.13Å; L130-L145 HydrophobicContact CD1-CB 4.07Å; L130-L145 HydrophobicContact CD1-CD1 4.07Å; L130-M146 HydrophobicContact CD1-CG 4.46Å; L130-M146 HydrophobicContact CD1-SD 4.24Å; L130-M146 HydrophobicContact CD2-SD 3.64Å; L130-A150 HydrophobicContact CB-CB 4.41Å; L130-A150 HydrophobicContact CD2-CB 3.95Å; L130-A152 HydrophobicContact CD2-CB 4.03Å; L130-P162 HydrophobicContact CB-CG 4.2Å; L130-P162 HydrophobicContact CD2-CB 4.15Å; L130-P162 HydrophobicContact CD2-CG 3.94Å; L130-P162 HydrophobicContact CG-CB 3.83Å; L130-P162 HydrophobicContact CG-CG 3.85Å; L130-M178 HydrophobicContact CD1-SD 4.13Å; L130-M178 HydrophobicContact CD2-SD 4.33Å; L130-M178 HydrophobicContact CG-SD 4.27Å
131H97.7Very high96.4Very high0 Ų037.1 Ų37.10%018%0.179CC..Hα-helixtrans-59.7-44.3172.7-68.777.7000111.5M127 T128 A134 E135 L154 N156 M160 I165M127-H131 HydrophobicContact CB-CB 3.84Å; M127-H131 HydrophobicContact CE-CB 3.87Å; M127-H131 HydrophobicContact CG-CB 4.06Å; T128-H131 PolarHBondContact N-ND1 2.75Å; T128-H131 VanDerWaalsContact N-ND1 3.16Å; T128-H131 WeakPolarHBondContact O-CB 3.26Å; T128-H131 PolarHBondContact O-N 3.4Å; T128-H131 VanDerWaalsContact O-N 3.14Å; T128-H131 PolarHBondContact OG1-ND1 3.01Å; H131-A134 PolarHBondContact O-N 3.39Å; H131-E135 WeakPolarHBondContact O-CB 3.41Å; H131-E135 PolarHBondContact O-N 3.37Å; H131-L154 PolarHBondContact CE1-O 3.48Å; H131-L154 PolarHBondContact NE2-O 3.35Å; H131-L154 VanDerWaalsContact NE2-O 3.11Å; H131-N156 PolarHBondContact NE2-N 2.89Å; H131-M160 PolarHBondContact NE2-O 3.12Å; H131-I165 HydrophobicContact CB-CD1 4.17Å
132W97.8Very high96.5Very high15 Ų1537 Ų376%0.05718%0.178CC..Hα-helixtrans-67.9-38.1178.9-73.4108.1000112.7R94 H98 Q102 D123 M127 T128 A129 L130 E135 R136R94-W132 VanDerWaalsContact NH2-CZ3 3.29Å; H98-W132 AromaticContact CD2-CD1 3.66Å; H98-W132 AromaticContact CD2-NE1 3.83Å; Q102-W132 HydrophobicContact CB-CB 4.18Å; Q102-W132 HydrophobicContact CG-CD2 4.47Å; Q102-W132 HydrophobicContact CG-CE3 3.9Å; D123-W132 VanDerWaalsContact OD2-CZ2 3.28Å; D123-W132 WeakPolarHBondContact OD2-CZ2 3.33Å; D123-W132 PolarHBondContact OD2-NE1 2.97Å; M127-W132 HydrophobicContact CB-CZ2 4.25Å; M127-W132 HydrophobicContact CE-CD2 3.69Å; M127-W132 HydrophobicContact CE-CE3 3.87Å; M127-W132 HydrophobicContact CE-CG 4.28Å; M127-W132 HydrophobicContact CE-CH2 3.65Å; M127-W132 HydrophobicContact CE-CZ2 3.5Å; M127-W132 HydrophobicContact CE-CZ3 3.87Å; M127-W132 HydrophobicContact CG-CZ2 4.47Å; M127-W132 HydrophobicContact SD-CH2 3.78Å; M127-W132 HydrophobicContact SD-CZ2 3.43Å; M127-W132 WeakPolarHBondContact SD-CZ2 3.37Å; T128-W132 VanDerWaalsContact O-CD1 3.31Å; T128-W132 PolarHBondContact O-N 3.22Å; A129-W132 PolarHBondContact O-N 2.83Å; L130-W132 VanDerWaalsContact C-N 3.34Å; L130-W132 PolarHBondContact O-N 2.97Å; W132-E135 WeakPolarHBondContact CZ3-OE2 3.23Å; W132-R136 WeakPolarHBondContact O-CB 3.37Å; W132-R136 VanDerWaalsContact O-CG 3.29Å; W132-R136 WeakPolarHBondContact O-CG 3.35Å; W132-R136 PolarHBondContact O-N 3.12Å
133A97.8Very high96.3Very high0 Ų037.5 Ų37.50%018%0.182CC..Hα-helixtrans-65.4-40.7174.600000112.3A101 A129 L130 R136 G137 H138 V141 V142 L145A101-A133 HydrophobicContact CB-CB 4.44Å; A129-A133 PolarHBondContact O-N 3.36Å; L130-A133 PolarHBondContact O-N 2.91Å; A133-R136 PolarHBondContact O-N 3.01Å; A133-G137 PolarHBondContact O-N 3.12Å; A133-H138 PolarHBondContact O-N 2.85Å; A133-V141 HydrophobicContact CB-CB 4.11Å; A133-V141 HydrophobicContact CB-CG1 3.57Å; A133-V142 HydrophobicContact CB-CG2 3.69Å; A133-L145 HydrophobicContact CB-CD1 4Å
134A97.3Very high96.3Very high0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-67-44175.100000112.4L130 H131 R136 G137 P162 I165 A166 H171 M178L130-A134 WeakPolarHBondContact O-CB 3.4Å; L130-A134 PolarHBondContact O-N 3Å; H131-A134 PolarHBondContact O-N 3.39Å; A134-R136 PolarHBondContact O-N 3.04Å; A134-R136 VanDerWaalsContact O-N 3.07Å; A134-G137 PolarHBondContact O-N 2.96Å; A134-P162 HydrophobicContact CB-CB 4.12Å; A134-P162 VanDerWaalsContact CB-O 3.27Å; A134-P162 WeakPolarHBondContact CB-O 3.41Å; A134-I165 HydrophobicContact CB-CG2 4.25Å; A134-A166 HydrophobicContact CB-CB 4.28Å; A134-H171 PolarHBondContact O-ND1 3.04Å; A134-M178 HydrophobicContact CB-CE 4.24Å
135E96.9Very high96.3Very high43 Ų4333.8 Ų33.820%0.20116%0.163CC..Hα-helixtrans-63.3-18.4179-149.8-136.1143.400113.4H131 W132 I165 K169 H171H131-E135 WeakPolarHBondContact O-CB 3.41Å; H131-E135 PolarHBondContact O-N 3.37Å; W132-E135 WeakPolarHBondContact CZ3-OE2 3.23Å; E135-I165 HydrophobicContact CB-CG2 3.59Å; E135-I165 HydrophobicContact CG-CG2 3.73Å; E135-K169 HydrophobicContact CG-CD 4.09Å; E135-K169 HydrophobicContact CG-CG 4.29Å; E135-K169 IonicContact OE1-NZ 3.11Å; E135-K169 PolarHBondContact OE1-NZ 3.14Å; E135-H171 PolarHBondContact O-CE1 3.07Å
136R97.2Very high96.3Very high98 Ų9831.9 Ų31.937%0.3715%0.153SC..THydrogen-bonded Turntrans-109-6.1-178.1-70.2-78.5-160.5-99.60.9114.2Q102 W132 A133 A134 H138 H171Q102-R136 HydrophobicContact CG-CG 4.19Å; Q102-R136 WeakPolarHBondContact O-CD 3.32Å; Q102-R136 VanDerWaalsContact O-CG 3.28Å; Q102-R136 WeakPolarHBondContact O-CG 3.5Å; Q102-R136 PolarHBondContact O-NE 3.28Å; W132-R136 WeakPolarHBondContact O-CB 3.37Å; W132-R136 VanDerWaalsContact O-CG 3.29Å; W132-R136 WeakPolarHBondContact O-CG 3.35Å; W132-R136 PolarHBondContact O-N 3.12Å; A133-R136 PolarHBondContact O-N 3.01Å; A134-R136 PolarHBondContact O-N 3.04Å; A134-R136 VanDerWaalsContact O-N 3.07Å; R136-H138 VanDerWaalsContact C-N 3.29Å; R136-H138 VanDerWaalsContact CB-CD2 3.47Å; R136-H138 WeakPolarHBondContact CB-CD2 3.46Å; R136-H138 PolarHBondContact O-N 3.38Å; R136-H138 PolarHBondContact O-ND1 3.29Å; R136-H171 VanDerWaalsContact C-CE1 3.5Å
137G96Very high96.1Very high23 Ų2331 Ų3124%0.23715%0.15CC..THydrogen-bonded Turntrans68.927.8178.900000113A133 A134 T139 H171A133-G137 PolarHBondContact O-N 3.12Å; A134-G137 PolarHBondContact O-N 2.96Å; G137-T139 VanDerWaalsContact C-N 3.26Å; G137-T139 PolarHBondContact O-N 2.55Å; G137-H171 VanDerWaalsContact CA-ND1 3.33Å; G137-H171 WeakPolarHBondContact CA-ND1 3.48Å; G137-H171 PolarHBondContact N-CE1 3.4Å; G137-H171 VanDerWaalsContact N-CE1 3.28Å; G137-H171 PolarHBondContact N-ND1 3.38Å; G137-H171 VanDerWaalsContact N-ND1 3.12Å
138H97.6Very high95.8Very high52 Ų5234 Ų3424%0.24116%0.163CC..  trans-84.967.3-175.3-68.3-22.6000111.3A101 Q102 G104 A133 R136 P140 V141 V142A101-H138 PolarHBondContact O-CD2 3.39Å; Q102-H138 PolarHBondContact O-NE2 3.33Å; G104-H138 WeakPolarHBondContact CA-CD2 3.47Å; G104-H138 PolarHBondContact N-CD2 3.14Å; G104-H138 PolarHBondContact N-NE2 3.46Å; A133-H138 PolarHBondContact O-N 2.85Å; R136-H138 VanDerWaalsContact C-N 3.29Å; R136-H138 VanDerWaalsContact CB-CD2 3.47Å; R136-H138 WeakPolarHBondContact CB-CD2 3.46Å; R136-H138 PolarHBondContact O-N 3.38Å; R136-H138 PolarHBondContact O-ND1 3.29Å; H138-P140 VanDerWaalsContact C-N 3.31Å; H138-P140 VanDerWaalsContact O-N 3.13Å; H138-V141 HydrophobicContact CB-CB 4.09Å; H138-V141 HydrophobicContact CB-CG2 4.13Å; H138-V141 WeakPolarHBondContact O-CA 3.49Å; H138-V141 WeakPolarHBondContact O-CB 3.27Å; H138-V141 PolarHBondContact O-N 2.81Å; H138-V142 PolarHBondContact O-N 2.75Å
139T95.9Very high95.3Very high26 Ų2636.6 Ų36.616%0.1619%0.191CC..Hα-helixtrans-45.9-41.7-177.3-470000114.8G137 V141 V142 Q143 D173 A177G137-T139 VanDerWaalsContact C-N 3.26Å; G137-T139 PolarHBondContact O-N 2.55Å; T139-V141 VanDerWaalsContact C-N 3.35Å; T139-V141 PolarHBondContact O-N 3.05Å; T139-V142 PolarHBondContact O-N 2.84Å; T139-Q143 HydrophobicContact CG2-CG 4.5Å; T139-Q143 WeakPolarHBondContact O-CG 3.42Å; T139-Q143 PolarHBondContact O-N 3.07Å; T139-D173 HydrophobicContact CG2-CB 4.27Å; T139-D173 VanDerWaalsContact CG2-O 3.26Å; T139-D173 WeakPolarHBondContact CG2-O 3.47Å; T139-D173 WeakPolarHBondContact OG1-CB 3.43Å; T139-A177 HydrophobicContact CG2-CB 3.74Å
140P95.3Very high95.1Very high82 Ų8237.1 Ų37.153%0.53220%0.195SC..Hα-helixtrans-65.7-33.5175.9-21.835000113.9A106 H138 M144A106-P140 HydrophobicContact CB-CB 4.25Å; H138-P140 VanDerWaalsContact C-N 3.31Å; H138-P140 VanDerWaalsContact O-N 3.13Å; P140-M144 WeakPolarHBondContact O-CB 3.44Å; P140-M144 PolarHBondContact O-N 2.88Å
141V97.2Very high94.7Very high1 Ų140.4 Ų40.41%0.00621%0.212CC..Hα-helixtrans-71.3-44.8173.3173.50000110.1A101 A106 V109 A133 H138 T139 M144 L145A101-V141 HydrophobicContact CB-CG1 3.91Å; A106-V141 HydrophobicContact CB-CG2 3.88Å; V109-V141 HydrophobicContact CG1-CG1 4.49Å; V109-V141 HydrophobicContact CG2-CG1 4.09Å; A133-V141 HydrophobicContact CB-CB 4.11Å; A133-V141 HydrophobicContact CB-CG1 3.57Å; H138-V141 HydrophobicContact CB-CB 4.09Å; H138-V141 HydrophobicContact CB-CG2 4.13Å; H138-V141 WeakPolarHBondContact O-CA 3.49Å; H138-V141 WeakPolarHBondContact O-CB 3.27Å; H138-V141 PolarHBondContact O-N 2.81Å; T139-V141 VanDerWaalsContact C-N 3.35Å; T139-V141 PolarHBondContact O-N 3.05Å; V141-M144 WeakPolarHBondContact O-CB 3.25Å; V141-M144 PolarHBondContact O-N 3.34Å; V141-M144 VanDerWaalsContact O-N 3.1Å; V141-L145 HydrophobicContact CG1-CD1 3.66Å; V141-L145 HydrophobicContact CG1-CG 4.11Å; V141-L145 WeakPolarHBondContact O-CG 3.38Å; V141-L145 PolarHBondContact O-N 3.05Å
142V96.3Very high94.4Very high0 Ų040.8 Ų40.80%022%0.216CC..Hα-helixtrans-56.3-53.1177.5170.60000110.6L130 A133 H138 T139 M144 L145 M146 A174 A177 M178L130-V142 HydrophobicContact CD1-CB 4.46Å; L130-V142 HydrophobicContact CD1-CG1 4.13Å; L130-V142 HydrophobicContact CD1-CG2 4.38Å; A133-V142 HydrophobicContact CB-CG2 3.69Å; H138-V142 PolarHBondContact O-N 2.75Å; T139-V142 PolarHBondContact O-N 2.84Å; V142-M144 PolarHBondContact O-N 3.37Å; V142-L145 PolarHBondContact O-N 2.77Å; V142-M146 HydrophobicContact CG1-CG 4.43Å; V142-M146 VanDerWaalsContact O-CG 3.28Å; V142-M146 WeakPolarHBondContact O-CG 3.4Å; V142-M146 PolarHBondContact O-N 2.83Å; V142-A174 HydrophobicContact CG2-CB 4.31Å; V142-A177 HydrophobicContact CG1-CB 4.1Å; V142-M178 HydrophobicContact CG1-CG 3.36Å; V142-M178 HydrophobicContact CG1-SD 4.16Å
143Q94Very high94Very high100 Ų10045.5 Ų45.547%0.46724%0.238SC..Hα-helixtrans-57-36.4175.7-70.8176.70.200112.5T139 R147 A177T139-Q143 HydrophobicContact CG2-CG 4.5Å; T139-Q143 WeakPolarHBondContact O-CG 3.42Å; T139-Q143 PolarHBondContact O-N 3.07Å; Q143-R147 WeakPolarHBondContact O-CB 3.26Å; Q143-R147 PolarHBondContact O-N 3.04Å; Q143-R147 VanDerWaalsContact O-N 3.09Å; Q143-A177 HydrophobicContact CG-CB 3.75Å
144M94Very high93.7Very high34 Ų3447.5 Ų47.517%0.16725%0.248CC..Hα-helixtrans-69.6-48.3178.4-162.454.34700111.9V109 E110 P140 V141 V142 M146 R147 F148V109-M144 HydrophobicContact CG1-CG 4.43Å; E110-M144 HydrophobicContact CB-CG 4.23Å; E110-M144 HydrophobicContact CB-SD 4.28Å; E110-M144 HydrophobicContact CG-SD 4.06Å; P140-M144 WeakPolarHBondContact O-CB 3.44Å; P140-M144 PolarHBondContact O-N 2.88Å; V141-M144 WeakPolarHBondContact O-CB 3.25Å; V141-M144 PolarHBondContact O-N 3.34Å; V141-M144 VanDerWaalsContact O-N 3.1Å; V142-M144 PolarHBondContact O-N 3.37Å; M144-M146 PolarHBondContact O-N 2.73Å; M144-R147 PolarHBondContact O-N 2.69Å; M144-R147 PolarHBondContact SD-NH2 3.36Å; M144-F148 HydrophobicContact CG-CD2 4.31Å; M144-F148 HydrophobicContact CG-CE2 4.24Å; M144-F148 WeakPolarHBondContact O-CD2 3.48Å; M144-F148 PolarHBondContact O-N 2.96Å; M144-F148 VanDerWaalsContact O-N 3.17Å; M144-F148 HydrophobicContact SD-CD2 4.29Å; M144-F148 HydrophobicContact SD-CE2 3.93Å
145L94.9Very high93.5Very high0 Ų052.7 Ų52.70%027%0.273CS..Hα-helixtrans-59.4-47.3177.6-70.3169000111.1A101 V109 L113 L119 A129 L130 A133 V141 V142 R147 F148 G149 A150A101-L145 HydrophobicContact CB-CD1 4.49Å; V109-L145 HydrophobicContact CG1-CD2 3.91Å; V109-L145 HydrophobicContact CG1-CG 4.21Å; L113-L145 HydrophobicContact CD1-CD2 4.04Å; L119-L145 HydrophobicContact CD1-CD2 3.46Å; L119-L145 VanDerWaalsContact CD1-CD2 3.46Å; A129-L145 HydrophobicContact CB-CD1 4.22Å; A129-L145 HydrophobicContact CB-CD2 4.1Å; L130-L145 HydrophobicContact CB-CD1 4.13Å; L130-L145 HydrophobicContact CD1-CB 4.07Å; L130-L145 HydrophobicContact CD1-CD1 4.07Å; A133-L145 HydrophobicContact CB-CD1 4Å; V141-L145 HydrophobicContact CG1-CD1 3.66Å; V141-L145 HydrophobicContact CG1-CG 4.11Å; V141-L145 WeakPolarHBondContact O-CG 3.38Å; V141-L145 PolarHBondContact O-N 3.05Å; V142-L145 PolarHBondContact O-N 2.77Å; L145-R147 VanDerWaalsContact C-N 3.32Å; L145-R147 PolarHBondContact O-N 3.15Å; L145-F148 CarbonylContact O-C 3.55Å; L145-F148 PolarHBondContact O-N 3.09Å; L145-G149 PolarHBondContact O-N 3.07Å; L145-A150 VanDerWaalsContact C-CB 3.47Å; L145-A150 HydrophobicContact CB-CB 3.85Å; L145-A150 WeakPolarHBondContact O-CB 3.41Å; L145-A150 PolarHBondContact O-N 2.93Å
146M92.7Very high93.3Very high11 Ų1151 Ų515%0.05427%0.265CS..Hα-helixtrans-60-40.2176-63.5-61.1-67.800112.1L130 V142 M144 F148 G149 A152 M178 T181 Q182L130-M146 HydrophobicContact CD1-CG 4.46Å; L130-M146 HydrophobicContact CD1-SD 4.24Å; L130-M146 HydrophobicContact CD2-SD 3.64Å; V142-M146 HydrophobicContact CG1-CG 4.43Å; V142-M146 VanDerWaalsContact O-CG 3.28Å; V142-M146 WeakPolarHBondContact O-CG 3.4Å; V142-M146 PolarHBondContact O-N 2.83Å; M144-M146 PolarHBondContact O-N 2.73Å; M146-F148 PolarHBondContact O-N 3.01Å; M146-G149 PolarHBondContact O-N 3.31Å; M146-A152 HydrophobicContact CE-CB 4.02Å; M146-A152 HydrophobicContact SD-CB 4.1Å; M146-M178 HydrophobicContact CE-CB 4.38Å; M146-M178 HydrophobicContact CG-CG 4.19Å; M146-M178 HydrophobicContact SD-CB 4.44Å; M146-M178 HydrophobicContact SD-CG 4.09Å; M146-T181 HydrophobicContact CB-CG2 3.98Å; M146-T181 WeakPolarHBondContact CB-OG1 3.47Å; M146-T181 WeakPolarHBondContact CE-OG1 3.27Å; M146-T181 WeakPolarHBondContact CG-OG1 3.34Å; M146-Q182 HydrophobicContact CE-CG 4.08Å
147R90.3Very high93.2Very high149 Ų14953 Ų5356%0.56228%0.276SS*.Hα-helixtrans-66.5-17.1175.5-159.7-166.272-174.8-2113.7E110 Q143 M144 L145E110-R147 IonicContact OE1-CZ 3.48Å; E110-R147 IonicContact OE1-NH1 2.67Å; E110-R147 IonicContact OE1-NH2 3.97Å; E110-R147 PolarHBondContact OE1-NH2 3.41Å; Q143-R147 WeakPolarHBondContact O-CB 3.26Å; Q143-R147 PolarHBondContact O-N 3.04Å; Q143-R147 VanDerWaalsContact O-N 3.09Å; M144-R147 PolarHBondContact O-N 2.69Å; M144-R147 PolarHBondContact SD-NH2 3.36Å; L145-R147 VanDerWaalsContact C-N 3.32Å; L145-R147 PolarHBondContact O-N 3.15Å
148F89.7Confident93Very high72 Ų7257.8 Ų57.832%0.31629%0.291SS..THydrogen-bonded Turntrans-95.85.3171.5-84.7-83.7000113.2E110 L113 R114 L119 M144 L145 M146E110-F148 HydrophobicContact CG-CE2 4.05Å; E110-F148 HydrophobicContact CG-CZ 4.25Å; L113-F148 HydrophobicContact CB-CD1 3.93Å; L113-F148 HydrophobicContact CB-CD2 4.13Å; L113-F148 HydrophobicContact CB-CE1 3.83Å; L113-F148 HydrophobicContact CB-CE2 4.04Å; L113-F148 HydrophobicContact CB-CG 4.08Å; L113-F148 HydrophobicContact CB-CZ 3.89Å; L113-F148 HydrophobicContact CD1-CB 4.02Å; L113-F148 HydrophobicContact CD1-CD1 4.46Å; L113-F148 HydrophobicContact CD1-CD2 3.54Å; L113-F148 HydrophobicContact CD1-CE2 4.05Å; L113-F148 HydrophobicContact CD1-CG 3.77Å; L113-F148 HydrophobicContact CG-CD2 4.48Å; L113-F148 HydrophobicContact CG-CG 4.48Å; R114-F148 HydrophobicContact CG-CZ 4.3Å; L119-F148 HydrophobicContact CD2-CB 4.04Å; L119-F148 VanDerWaalsContact CD2-O 3.26Å; L119-F148 WeakPolarHBondContact CD2-O 3.19Å; M144-F148 HydrophobicContact CG-CD2 4.31Å; M144-F148 HydrophobicContact CG-CE2 4.24Å; M144-F148 WeakPolarHBondContact O-CD2 3.48Å; M144-F148 PolarHBondContact O-N 2.96Å; M144-F148 VanDerWaalsContact O-N 3.17Å; M144-F148 HydrophobicContact SD-CD2 4.29Å; M144-F148 HydrophobicContact SD-CE2 3.93Å; L145-F148 CarbonylContact O-C 3.55Å; L145-F148 PolarHBondContact O-N 3.09Å; M146-F148 PolarHBondContact O-N 3.01Å
149G88.5Confident92.8Very high60 Ų6062.4 Ų62.462%0.61931%0.313SS*.THydrogen-bonded Turntrans86.430.7179.100000114.3L145 M146 D151L145-G149 PolarHBondContact O-N 3.07Å; M146-G149 PolarHBondContact O-N 3.31Å; G149-D151 PolarHBondContact O-N 3.22Å
150A91.8Very high92.8Very high11 Ų1164.2 Ų64.29%0.09132%0.32CS..  trans-68.1123.6175.400000111.2L119 L130 L145 A152L119-A150 HydrophobicContact CD1-CB 4.08Å; L119-A150 HydrophobicContact CD2-CB 4.13Å; L119-A150 HydrophobicContact CG-CB 4.2Å; L130-A150 HydrophobicContact CB-CB 4.41Å; L130-A150 HydrophobicContact CD2-CB 3.95Å; L145-A150 VanDerWaalsContact C-CB 3.47Å; L145-A150 HydrophobicContact CB-CB 3.85Å; L145-A150 WeakPolarHBondContact O-CB 3.41Å; L145-A150 PolarHBondContact O-N 2.93Å; A150-A152 PolarHBondContact O-N 2.96Å
151D89.5Confident92.8Very high71 Ų7161.3 Ų61.338%0.3830%0.301SS..  trans-71.3118.4176.2-179.24.1000111.1G149 H153 L154G149-D151 PolarHBondContact O-N 3.22Å; D151-H153 WeakPolarHBondContact OD1-CA 3.32Å; D151-H153 WeakPolarHBondContact OD1-CB 3.42Å; D151-H153 IonicContact OD1-CD2 2.79Å; D151-H153 PolarHBondContact OD1-CD2 3.46Å; D151-H153 IonicContact OD1-CG 2.65Å; D151-H153 PolarHBondContact OD1-N 2.92Å; D151-L154 HydrophobicContact CB-CD1 4.12Å; D151-L154 HydrophobicContact CB-CG 3.88Å; D151-L154 WeakPolarHBondContact OD2-CD2 3.4Å; D151-L154 VanDerWaalsContact OD2-CG 3.28Å; D151-L154 WeakPolarHBondContact OD2-CG 3.45Å
152A90.6Very high92.7Very high8 Ų861.2 Ų61.27%0.06630%0.3CS..SBendtrans-88.9-4.9178.300000113.9L130 M146 A150 P162L130-A152 HydrophobicContact CD2-CB 4.03Å; M146-A152 HydrophobicContact CE-CB 4.02Å; M146-A152 HydrophobicContact SD-CB 4.1Å; A150-A152 PolarHBondContact O-N 2.96Å; A152-P162 WeakPolarHBondContact O-CD 3.26Å
153H89.9Confident92.6Very high115 Ų11563.8 Ų63.853%0.53231%0.314SS..SBendtrans-95.7-13.6178.3-51.7-94000112.3D151 Q155 Q182D151-H153 WeakPolarHBondContact OD1-CA 3.32Å; D151-H153 WeakPolarHBondContact OD1-CB 3.42Å; D151-H153 IonicContact OD1-CD2 2.79Å; D151-H153 PolarHBondContact OD1-CD2 3.46Å; D151-H153 IonicContact OD1-CG 2.65Å; D151-H153 PolarHBondContact OD1-N 2.92Å; H153-Q155 PolarHBondContact O-N 3.25Å; H153-Q182 PolarHBondContact NE2-NE2 2.93Å; H153-Q182 VanDerWaalsContact NE2-NE2 3.14Å
154L91Very high92.7Very high41 Ų4162.3 Ų62.322%0.21531%0.309CS..  trans-56123.1172.9-69.8-179.1000111.3T128 H131 D151 P162T128-L154 HydrophobicContact CG2-CD1 3.78Å; H131-L154 PolarHBondContact CE1-O 3.48Å; H131-L154 PolarHBondContact NE2-O 3.35Å; H131-L154 VanDerWaalsContact NE2-O 3.11Å; D151-L154 HydrophobicContact CB-CD1 4.12Å; D151-L154 HydrophobicContact CB-CG 3.88Å; D151-L154 WeakPolarHBondContact OD2-CD2 3.4Å; D151-L154 VanDerWaalsContact OD2-CG 3.28Å; D151-L154 WeakPolarHBondContact OD2-CG 3.45Å; L154-P162 WeakPolarHBondContact O-CD 3.35Å
155Q93.1Very high92.8Very high109 Ų10961 Ų6151%0.50930%0.302SS..  trans-89.1144.8172.7-69.8178-32.900112.7H153 E159 T161H153-Q155 PolarHBondContact O-N 3.25Å; Q155-E159 WeakPolarHBondContact CG-O 3.49Å; Q155-E159 PolarHBondContact NE2-O 2.76Å; Q155-T161 HydrophobicContact CG-CG2 3.93Å
156N93.1Very high92.8Very high9 Ų961 Ų615%0.04830%0.302CS..  trans-82.3-173.8168.172.319.3000112.5L125 M127 H131 F158 E159 M160L125-N156 WeakPolarHBondContact O-CB 3.39Å; M127-N156 HydrophobicContact CG-CB 3.68Å; H131-N156 PolarHBondContact NE2-N 2.89Å; N156-F158 PolarHBondContact O-N 3.17Å; N156-F158 WeakPolarHBondContact OD1-CA 3.44Å; N156-F158 WeakPolarHBondContact OD1-CB 3.48Å; N156-F158 PolarHBondContact OD1-N 3.21Å; N156-E159 PolarHBondContact O-N 3.5Å; N156-E159 VanDerWaalsContact O-N 3.11Å; N156-E159 PolarHBondContact OD1-N 3.4Å; N156-M160 VanDerWaalsContact CG-O 3.27Å; N156-M160 PolarHBondContact N-O 3.12Å; N156-M160 PolarHBondContact OD1-N 2.97Å; N156-M160 PolarHBondContact OD1-O 3.19Å
157K94.8Very high92.9Very high138 Ų13866.2 Ų66.260%0.633%0.327SS*.THydrogen-bonded Turntrans-65.1-6.1179.7-174168.2-178.1173.40114.8L125L125-K157 WeakPolarHBondContact O-CB 3.4Å; L125-K157 PolarHBondContact O-N 3.35Å
158F93.6Very high93.1Very high124 Ų12463.7 Ų63.754%0.54433%0.331SS..THydrogen-bonded Turntrans-113.617.7177.5-51.7-76.4000112.1L125 N156 M160L125-F158 HydrophobicContact CD1-CE2 4.49Å; L125-F158 HydrophobicContact CD2-CE2 4.34Å; L125-F158 HydrophobicContact CD2-CZ 4.4Å; N156-F158 PolarHBondContact O-N 3.17Å; N156-F158 WeakPolarHBondContact OD1-CA 3.44Å; N156-F158 WeakPolarHBondContact OD1-CB 3.48Å; N156-F158 PolarHBondContact OD1-N 3.21Å; F158-M160 HydrophobicContact CB-CE 3.89Å; F158-M160 HydrophobicContact CB-CG 4.49Å; F158-M160 HydrophobicContact CD2-CE 4.28Å; F158-M160 HydrophobicContact CG-CE 4.37Å; F158-M160 PolarHBondContact O-N 2.85Å
159E93.4Very high93.4Very high149 Ų14964.7 Ų64.770%0.69634%0.335SS*.SBendtrans62.710.3-179.3-63.8160.8-150.400114.1Q155 N156Q155-E159 WeakPolarHBondContact CG-O 3.49Å; Q155-E159 PolarHBondContact NE2-O 2.76Å; N156-E159 PolarHBondContact O-N 3.5Å; N156-E159 VanDerWaalsContact O-N 3.11Å; N156-E159 PolarHBondContact OD1-N 3.4Å
160M94.7Very high93.7Very high65 Ų6569.9 Ų69.932%0.3234%0.343SS..  trans-90.1131175.8-61.2-174.3-69.800111H131 N156 F158 D164 I165H131-M160 PolarHBondContact NE2-O 3.12Å; N156-M160 VanDerWaalsContact CG-O 3.27Å; N156-M160 PolarHBondContact N-O 3.12Å; N156-M160 PolarHBondContact OD1-N 2.97Å; N156-M160 PolarHBondContact OD1-O 3.19Å; F158-M160 HydrophobicContact CB-CE 3.89Å; F158-M160 HydrophobicContact CB-CG 4.49Å; F158-M160 HydrophobicContact CD2-CE 4.28Å; F158-M160 HydrophobicContact CG-CE 4.37Å; F158-M160 PolarHBondContact O-N 2.85Å; M160-D164 HydrophobicContact CB-CB 4.12Å; M160-D164 HydrophobicContact CG-CB 4.47Å; M160-I165 HydrophobicContact CB-CD1 4.5Å; M160-I165 HydrophobicContact CB-CG1 4.03Å; M160-I165 HydrophobicContact CE-CG1 4.38Å; M160-I165 HydrophobicContact SD-CG1 4.33Å
161T95.8Very high93.9Very high20 Ų2072 Ų7212%0.12335%0.351CS..  trans-77.3169.3165.567.60000111.5Q155 L163 D164 I165Q155-T161 HydrophobicContact CG-CG2 3.93Å; T161-L163 PolarHBondContact O-N 2.97Å; T161-L163 PolarHBondContact OG1-N 3.1Å; T161-D164 VanDerWaalsContact CB-OD2 3.3Å; T161-D164 WeakPolarHBondContact CB-OD2 3.35Å; T161-D164 WeakPolarHBondContact CG2-OD2 2.92Å; T161-D164 PolarHBondContact N-OD2 3.14Å; T161-D164 PolarHBondContact O-N 3.22Å; T161-D164 VanDerWaalsContact OG1-CG 3.25Å; T161-D164 PolarHBondContact OG1-N 3.2Å; T161-D164 VanDerWaalsContact OG1-N 3.1Å; T161-D164 PolarHBondContact OG1-OD2 3.49Å; T161-I165 WeakPolarHBondContact O-CG1 3.18Å; T161-I165 PolarHBondContact O-N 3.1Å; T161-I165 VanDerWaalsContact O-N 3.1Å
162P94.7Very high94.2Very high0 Ų072.5 Ų72.50%035%0.354CS..Hα-helixtrans-54.7-33.6165.7-26.734.9000113.8L130 A134 A152 L154 I165 A166 M178L130-P162 HydrophobicContact CB-CG 4.2Å; L130-P162 HydrophobicContact CD2-CB 4.15Å; L130-P162 HydrophobicContact CD2-CG 3.94Å; L130-P162 HydrophobicContact CG-CB 3.83Å; L130-P162 HydrophobicContact CG-CG 3.85Å; A134-P162 HydrophobicContact CB-CB 4.12Å; A134-P162 VanDerWaalsContact CB-O 3.27Å; A134-P162 WeakPolarHBondContact CB-O 3.41Å; A152-P162 WeakPolarHBondContact O-CD 3.26Å; L154-P162 WeakPolarHBondContact O-CD 3.35Å; P162-I165 PolarHBondContact O-N 2.64Å; P162-A166 PolarHBondContact O-N 2.99Å; P162-M178 HydrophobicContact CB-CE 4.46Å; P162-M178 HydrophobicContact CB-SD 3.79Å
163L94.8Very high94.4Very high54 Ų5478.1 Ų78.128%0.28338%0.383SS..Hα-helixtrans-68.4-48.5179.6-166.472.5000111.2T161 I165 A166 E167 R175 M178 L179T161-L163 PolarHBondContact O-N 2.97Å; T161-L163 PolarHBondContact OG1-N 3.1Å; L163-I165 PolarHBondContact O-N 2.84Å; L163-A166 PolarHBondContact O-N 3.23Å; L163-A166 VanDerWaalsContact O-N 3.1Å; L163-E167 PolarHBondContact O-N 3.28Å; L163-R175 HydrophobicContact CD1-CB 4.41Å; L163-R175 HydrophobicContact CD1-CG 3.54Å; L163-R175 HydrophobicContact CG-CG 4.36Å; L163-M178 HydrophobicContact CD1-CB 4.42Å; L163-M178 HydrophobicContact CD1-CE 4.11Å; L163-L179 HydrophobicContact CD1-CD1 4.41Å; L163-L179 HydrophobicContact CD1-CD2 4.08Å; L163-L179 HydrophobicContact CD1-CG 3.99Å; L163-L179 HydrophobicContact CD2-CD2 4.12Å
164D95.8Very high94.6Very high68 Ų6872.7 Ų72.736%0.36436%0.358SS..Hα-helixtrans-57.8-40175.2-58.9-60.1000111.4M160 T161 C168M160-D164 HydrophobicContact CB-CB 4.12Å; M160-D164 HydrophobicContact CG-CB 4.47Å; T161-D164 VanDerWaalsContact CB-OD2 3.3Å; T161-D164 WeakPolarHBondContact CB-OD2 3.35Å; T161-D164 WeakPolarHBondContact CG2-OD2 2.92Å; T161-D164 PolarHBondContact N-OD2 3.14Å; T161-D164 PolarHBondContact O-N 3.22Å; T161-D164 VanDerWaalsContact OG1-CG 3.25Å; T161-D164 PolarHBondContact OG1-N 3.2Å; T161-D164 VanDerWaalsContact OG1-N 3.1Å; T161-D164 PolarHBondContact OG1-OD2 3.49Å; D164-C168 WeakPolarHBondContact O-CB 3.38Å; D164-C168 PolarHBondContact O-N 3.49Å; D164-C168 PolarHBondContact O-SG 2.89Å
165I95.5Very high94.7Very high6 Ų673.5 Ų73.53%0.03136%0.358CS..Hα-helixtrans-64.7-44.9176.1-71.3173.5000111M127 H131 A134 E135 M160 T161 P162 L163 E167 C168 K169M127-I165 HydrophobicContact CE-CD1 4.35Å; H131-I165 HydrophobicContact CB-CD1 4.17Å; A134-I165 HydrophobicContact CB-CG2 4.25Å; E135-I165 HydrophobicContact CB-CG2 3.59Å; E135-I165 HydrophobicContact CG-CG2 3.73Å; M160-I165 HydrophobicContact CB-CD1 4.5Å; M160-I165 HydrophobicContact CB-CG1 4.03Å; M160-I165 HydrophobicContact CE-CG1 4.38Å; M160-I165 HydrophobicContact SD-CG1 4.33Å; T161-I165 WeakPolarHBondContact O-CG1 3.18Å; T161-I165 PolarHBondContact O-N 3.1Å; T161-I165 VanDerWaalsContact O-N 3.1Å; P162-I165 PolarHBondContact O-N 2.64Å; L163-I165 PolarHBondContact O-N 2.84Å; I165-E167 VanDerWaalsContact C-N 3.35Å; I165-E167 PolarHBondContact O-N 2.92Å; I165-C168 PolarHBondContact O-N 3.17Å; I165-K169 HydrophobicContact CG2-CG 4.22Å; I165-K169 VanDerWaalsContact O-CB 3.28Å; I165-K169 WeakPolarHBondContact O-CB 3.39Å; I165-K169 WeakPolarHBondContact O-CG 3.5Å; I165-K169 PolarHBondContact O-N 3Å
166A95.8Very high94.7Very high0 Ų071.3 Ų71.30%035%0.35CS..Hα-helixtrans-61.6-43.5178.700000111.4A134 P162 L163 K169 Q170 H171 R175 M178A134-A166 HydrophobicContact CB-CB 4.28Å; P162-A166 PolarHBondContact O-N 2.99Å; L163-A166 PolarHBondContact O-N 3.23Å; L163-A166 VanDerWaalsContact O-N 3.1Å; A166-K169 PolarHBondContact O-N 3.35Å; A166-Q170 PolarHBondContact O-N 3.06Å; A166-Q170 VanDerWaalsContact O-N 3.12Å; A166-H171 PolarHBondContact O-N 2.9Å; A166-R175 HydrophobicContact CB-CB 4.03Å; A166-M178 HydrophobicContact CB-CE 3.74Å
167E95.3Very high94.6Very high122 Ų12271.2 Ų71.257%0.5735%0.35SS*.Hα-helixtrans-65.8-49.1175.6-175.8168.1173.100112.1L163 I165 K169 Q170L163-E167 PolarHBondContact O-N 3.28Å; I165-E167 VanDerWaalsContact C-N 3.35Å; I165-E167 PolarHBondContact O-N 2.92Å; E167-K169 PolarHBondContact O-N 3.48Å; E167-K169 VanDerWaalsContact O-N 3.08Å; E167-Q170 PolarHBondContact O-N 3.29Å
168C94.6Very high94.4Very high95 Ų9564.6 Ų64.664%0.64232%0.321SS*.Hα-helixtrans-62.1-18.3177.6-71.60000113.9D164 I165D164-C168 WeakPolarHBondContact O-CB 3.38Å; D164-C168 PolarHBondContact O-N 3.49Å; D164-C168 PolarHBondContact O-SG 2.89Å; I165-C168 PolarHBondContact O-N 3.17Å
169K95.3Very high94.2Very high94 Ų9461.5 Ų61.541%0.40931%0.31SS..THydrogen-bonded Turntrans-101-2.6176-60.9-80.8165159.10113.2E135 I165 A166 E167 H171E135-K169 HydrophobicContact CG-CD 4.09Å; E135-K169 HydrophobicContact CG-CG 4.29Å; E135-K169 IonicContact OE1-NZ 3.11Å; E135-K169 PolarHBondContact OE1-NZ 3.14Å; I165-K169 HydrophobicContact CG2-CG 4.22Å; I165-K169 VanDerWaalsContact O-CB 3.28Å; I165-K169 WeakPolarHBondContact O-CB 3.39Å; I165-K169 WeakPolarHBondContact O-CG 3.5Å; I165-K169 PolarHBondContact O-N 3Å; A166-K169 PolarHBondContact O-N 3.35Å; E167-K169 PolarHBondContact O-N 3.48Å; E167-K169 VanDerWaalsContact O-N 3.08Å; K169-H171 VanDerWaalsContact C-N 3.3Å; K169-H171 WeakPolarHBondContact CB-ND1 3.22Å
170Q94.7Very high93.6Very high169 Ų16959.2 Ų59.279%0.7930%0.303SS*.THydrogen-bonded Turntrans59.438.5-175.9-56-177.9-22.800113A166 E167 D172A166-Q170 PolarHBondContact O-N 3.06Å; A166-Q170 VanDerWaalsContact O-N 3.12Å; E167-Q170 PolarHBondContact O-N 3.29Å; Q170-D172 PolarHBondContact O-N 3.48Å
171H96.5Very high92.3Very high54 Ų5457.6 Ų57.625%0.2530%0.296CS..  trans-96.763176.2-62.6155.9000110.7A134 E135 R136 G137 A166 K169 D173 A174 R175A134-H171 PolarHBondContact O-ND1 3.04Å; E135-H171 PolarHBondContact O-CE1 3.07Å; R136-H171 VanDerWaalsContact C-CE1 3.5Å; G137-H171 VanDerWaalsContact CA-ND1 3.33Å; G137-H171 WeakPolarHBondContact CA-ND1 3.48Å; G137-H171 PolarHBondContact N-CE1 3.4Å; G137-H171 VanDerWaalsContact N-CE1 3.28Å; G137-H171 PolarHBondContact N-ND1 3.38Å; G137-H171 VanDerWaalsContact N-ND1 3.12Å; A166-H171 PolarHBondContact O-N 2.9Å; K169-H171 VanDerWaalsContact C-N 3.3Å; K169-H171 WeakPolarHBondContact CB-ND1 3.22Å; H171-D173 VanDerWaalsContact C-N 3.31Å; H171-D173 PolarHBondContact O-N 3.48Å; H171-A174 HydrophobicContact CB-CB 4.05Å; H171-A174 WeakPolarHBondContact O-CA 3.23Å; H171-A174 WeakPolarHBondContact O-CB 3.48Å; H171-A174 PolarHBondContact O-N 3.33Å; H171-R175 PolarHBondContact O-N 3.03Å
172D94.7Very high90.5Very high82 Ų8259 Ų5944%0.43930%0.302SS..Hα-helixtrans-52.6-44.6-176.3-69.3-53.6000112.5Q170 A174 R175 D176Q170-D172 PolarHBondContact O-N 3.48Å; D172-A174 PolarHBondContact O-N 2.99Å; D172-R175 PolarHBondContact O-N 2.88Å; D172-R175 IonicContact OD1-CZ 3.79Å; D172-R175 VanDerWaalsContact OD1-CZ 3.28Å; D172-R175 IonicContact OD1-NH1 2.95Å; D172-R175 PolarHBondContact OD1-NH1 3.42Å; D172-R175 IonicContact OD1-NH2 3.17Å; D172-R175 PolarHBondContact OD1-NH2 3.31Å; D172-D176 WeakPolarHBondContact O-CB 3.46Å; D172-D176 VanDerWaalsContact O-CG 3.31Å; D172-D176 PolarHBondContact O-N 2.84Å
173D94.4Very high88.5Confident127 Ų12766 Ų6668%0.67933%0.329SS*.Hα-helixtrans-55.9-34.3176.2-72.1-30.1000113.1T139 H171 A177T139-D173 HydrophobicContact CG2-CB 4.27Å; T139-D173 VanDerWaalsContact CG2-O 3.26Å; T139-D173 WeakPolarHBondContact CG2-O 3.47Å; T139-D173 WeakPolarHBondContact OG1-CB 3.43Å; H171-D173 VanDerWaalsContact C-N 3.31Å; H171-D173 PolarHBondContact O-N 3.48Å; D173-A177 VanDerWaalsContact O-CB 3.26Å; D173-A177 WeakPolarHBondContact O-CB 3.49Å; D173-A177 PolarHBondContact O-N 2.87Å; D173-A177 VanDerWaalsContact O-N 3.09Å
174A94.4Very high86.7Confident0 Ų068 Ų680%034%0.34CS..Hα-helixtrans-82.8-38.7-179.700000111.9V142 H171 D172 A177 M178V142-A174 HydrophobicContact CG2-CB 4.31Å; H171-A174 HydrophobicContact CB-CB 4.05Å; H171-A174 WeakPolarHBondContact O-CA 3.23Å; H171-A174 WeakPolarHBondContact O-CB 3.48Å; H171-A174 PolarHBondContact O-N 3.33Å; D172-A174 PolarHBondContact O-N 2.99Å; A174-A177 PolarHBondContact O-N 2.91Å; A174-M178 WeakPolarHBondContact O-CE 3.26Å; A174-M178 PolarHBondContact O-N 3.41Å
175R94.3Very high84.5Confident59 Ų5969.6 Ų69.622%0.22335%0.348CS..Hα-helixtrans-57.4-53.4170.4-176.3-160.966.1-142.1-9.8110L163 A166 H171 D172 A177 M178 L179L163-R175 HydrophobicContact CD1-CB 4.41Å; L163-R175 HydrophobicContact CD1-CG 3.54Å; L163-R175 HydrophobicContact CG-CG 4.36Å; A166-R175 HydrophobicContact CB-CB 4.03Å; H171-R175 PolarHBondContact O-N 3.03Å; D172-R175 PolarHBondContact O-N 2.88Å; D172-R175 IonicContact OD1-CZ 3.79Å; D172-R175 VanDerWaalsContact OD1-CZ 3.28Å; D172-R175 IonicContact OD1-NH1 2.95Å; D172-R175 PolarHBondContact OD1-NH1 3.42Å; D172-R175 IonicContact OD1-NH2 3.17Å; D172-R175 PolarHBondContact OD1-NH2 3.31Å; R175-A177 VanDerWaalsContact C-N 3.27Å; R175-A177 PolarHBondContact O-N 2.97Å; R175-M178 PolarHBondContact O-N 3.12Å; R175-M178 VanDerWaalsContact O-N 3.13Å; R175-L179 HydrophobicContact CG-CD1 4.12Å; R175-L179 PolarHBondContact O-N 2.9Å; R175-L179 VanDerWaalsContact O-N 3.15Å
176D92.5Very high82.3Confident62 Ų6271.7 Ų71.733%0.33236%0.361SS..Hα-helixtrans-66.4-31.5-177.6-68.82.8000111.1D172 N180D172-D176 WeakPolarHBondContact O-CB 3.46Å; D172-D176 VanDerWaalsContact O-CG 3.31Å; D172-D176 PolarHBondContact O-N 2.84Å; D176-N180 WeakPolarHBondContact O-CB 3.46Å; D176-N180 VanDerWaalsContact O-CG 3.31Å; D176-N180 PolarHBondContact O-N 3.32Å; D176-N180 PolarHBondContact O-ND2 2.84Å
177A91.9Very high80.1Confident7 Ų774.3 Ų74.36%0.05838%0.379CS..Hα-helixtrans-62.3-44.3171.200000113T139 V142 Q143 D173 A174 R175 T181T139-A177 HydrophobicContact CG2-CB 3.74Å; V142-A177 HydrophobicContact CG1-CB 4.1Å; Q143-A177 HydrophobicContact CG-CB 3.75Å; D173-A177 VanDerWaalsContact O-CB 3.26Å; D173-A177 WeakPolarHBondContact O-CB 3.49Å; D173-A177 PolarHBondContact O-N 2.87Å; D173-A177 VanDerWaalsContact O-N 3.09Å; A174-A177 PolarHBondContact O-N 2.91Å; R175-A177 VanDerWaalsContact C-N 3.27Å; R175-A177 PolarHBondContact O-N 2.97Å; A177-T181 WeakPolarHBondContact O-CG2 3.34Å; A177-T181 PolarHBondContact O-N 2.93Å; A177-T181 PolarHBondContact O-OG1 2.59Å
178M90.7Very high77.7Confident0 Ų070.5 Ų70.50%037%0.366CS..Hα-helixtrans-61.4-53.7177.7-69180-76.500110.7L130 A134 V142 M146 P162 L163 A166 A174 R175 N180 T181 Q182L130-M178 HydrophobicContact CD1-SD 4.13Å; L130-M178 HydrophobicContact CD2-SD 4.33Å; L130-M178 HydrophobicContact CG-SD 4.27Å; A134-M178 HydrophobicContact CB-CE 4.24Å; V142-M178 HydrophobicContact CG1-CG 3.36Å; V142-M178 HydrophobicContact CG1-SD 4.16Å; M146-M178 HydrophobicContact CE-CB 4.38Å; M146-M178 HydrophobicContact CG-CG 4.19Å; M146-M178 HydrophobicContact SD-CB 4.44Å; M146-M178 HydrophobicContact SD-CG 4.09Å; P162-M178 HydrophobicContact CB-CE 4.46Å; P162-M178 HydrophobicContact CB-SD 3.79Å; L163-M178 HydrophobicContact CD1-CB 4.42Å; L163-M178 HydrophobicContact CD1-CE 4.11Å; A166-M178 HydrophobicContact CB-CE 3.74Å; A174-M178 WeakPolarHBondContact O-CE 3.26Å; A174-M178 PolarHBondContact O-N 3.41Å; R175-M178 PolarHBondContact O-N 3.12Å; R175-M178 VanDerWaalsContact O-N 3.13Å; M178-N180 PolarHBondContact O-N 2.8Å; M178-T181 PolarHBondContact O-N 2.81Å; M178-T181 VanDerWaalsContact O-N 3.15Å; M178-T181 PolarHBondContact O-OG1 3.22Å; M178-Q182 PolarHBondContact O-N 2.92Å
179L87.9Confident75.2Confident59 Ų5969.8 Ų69.831%0.30936%0.359SS..Hα-helixtrans-57.5-47.9179.4-63171.9000112.2L163 R175 T181 Q182 Y183L163-L179 HydrophobicContact CD1-CD1 4.41Å; L163-L179 HydrophobicContact CD1-CD2 4.08Å; L163-L179 HydrophobicContact CD1-CG 3.99Å; L163-L179 HydrophobicContact CD2-CD2 4.12Å; R175-L179 HydrophobicContact CG-CD1 4.12Å; R175-L179 PolarHBondContact O-N 2.9Å; R175-L179 VanDerWaalsContact O-N 3.15Å; L179-T181 VanDerWaalsContact C-N 3.32Å; L179-T181 PolarHBondContact O-N 2.89Å; L179-Q182 PolarHBondContact O-N 3.43Å; L179-Y183 VanDerWaalsContact O-CD2 3.28Å; L179-Y183 WeakPolarHBondContact O-CD2 3.1Å; L179-Y183 PolarHBondContact O-N 2.86Å
180N80.8Confident72.6Confident101 Ų10167.3 Ų67.354%0.5436%0.36SS..Hα-helixtrans-66.2-31.2179.7-75.9-62.8000112.8D176 M178 Y183 D184D176-N180 WeakPolarHBondContact O-CB 3.46Å; D176-N180 VanDerWaalsContact O-CG 3.31Å; D176-N180 PolarHBondContact O-N 3.32Å; D176-N180 PolarHBondContact O-ND2 2.84Å; M178-N180 PolarHBondContact O-N 2.8Å; N180-Y183 PolarHBondContact O-N 2.93Å; N180-D184 PolarHBondContact O-N 3.41Å
181T68.5Low69.9Low30 Ų3065.2 Ų65.218%0.18435%0.345CS..Hα-helixtrans-69.7-32.1175.349.30000113.5M146 A177 M178 L179 D184 L185M146-T181 HydrophobicContact CB-CG2 3.98Å; M146-T181 WeakPolarHBondContact CB-OG1 3.47Å; M146-T181 WeakPolarHBondContact CE-OG1 3.27Å; M146-T181 WeakPolarHBondContact CG-OG1 3.34Å; A177-T181 WeakPolarHBondContact O-CG2 3.34Å; A177-T181 PolarHBondContact O-N 2.93Å; A177-T181 PolarHBondContact O-OG1 2.59Å; M178-T181 PolarHBondContact O-N 2.81Å; M178-T181 VanDerWaalsContact O-N 3.15Å; M178-T181 PolarHBondContact O-OG1 3.22Å; L179-T181 VanDerWaalsContact C-N 3.32Å; L179-T181 PolarHBondContact O-N 2.89Å; T181-D184 PolarHBondContact O-N 2.97Å; T181-L185 WeakPolarHBondContact O-CG 3.48Å; T181-L185 PolarHBondContact O-N 3.05Å; T181-L185 VanDerWaalsContact O-N 3.13Å
182Q58.7Low67.1Low51 Ų5168.1 Ų68.124%0.23836%0.36CS..Hα-helixtrans-64.3-44.8170.2-69.1164.8-64.500110.5M146 H153 M178 L179 D184 L185 V186M146-Q182 HydrophobicContact CE-CG 4.08Å; H153-Q182 PolarHBondContact NE2-NE2 2.93Å; H153-Q182 VanDerWaalsContact NE2-NE2 3.14Å; M178-Q182 PolarHBondContact O-N 2.92Å; L179-Q182 PolarHBondContact O-N 3.43Å; Q182-D184 PolarHBondContact O-N 3.47Å; Q182-L185 PolarHBondContact O-N 2.91Å; Q182-V186 PolarHBondContact O-N 3.29Å; Q182-V186 VanDerWaalsContact O-N 3.12Å
183Y52.8Low64.4Low147 Ų14766.2 Ų66.258%0.57636%0.356SS*.Hα-helixtrans-62.1-39.5175-77.9-64.4000113.9L179 N180 V186 S187L179-Y183 VanDerWaalsContact O-CD2 3.28Å; L179-Y183 WeakPolarHBondContact O-CD2 3.1Å; L179-Y183 PolarHBondContact O-N 2.86Å; N180-Y183 PolarHBondContact O-N 2.93Å; Y183-V186 PolarHBondContact O-N 3.21Å; Y183-S187 WeakPolarHBondContact O-CB 3.4Å; Y183-S187 PolarHBondContact O-N 2.88Å
184D54.9Low61.8Low95 Ų9564.1 Ų64.151%0.50836%0.355SS..Hα-helixtrans-75-26.7-178.4-1383.5000112.4N180 T181 Q182 S188 R191N180-D184 PolarHBondContact O-N 3.41Å; T181-D184 PolarHBondContact O-N 2.97Å; Q182-D184 PolarHBondContact O-N 3.47Å; D184-S188 WeakPolarHBondContact O-CB 3.48Å; D184-S188 PolarHBondContact O-N 3.05Å; D184-S188 PolarHBondContact O-OG 3.48Å; D184-R191 IonicContact OD1-CZ 2.67Å; D184-R191 IonicContact OD1-NH1 2.88Å; D184-R191 IonicContact OD1-NH2 3.63Å; D184-R191 PolarHBondContact OD1-NH2 3.05Å
185L51.2Low59.3Low101 Ų10169.2 Ų69.253%0.52939%0.387SS..Hα-helixtrans-63.9-54.5166.6-78.3164.6000111.1T181 Q182 S187 S188 V189T181-L185 WeakPolarHBondContact O-CG 3.48Å; T181-L185 PolarHBondContact O-N 3.05Å; T181-L185 VanDerWaalsContact O-N 3.13Å; Q182-L185 PolarHBondContact O-N 2.91Å; L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 3.2Å; L185-S188 WeakPolarHBondContact CA-OG 3.28Å; L185-S188 PolarHBondContact O-N 3.39Å; L185-S188 PolarHBondContact O-OG 3.34Å; L185-V189 PolarHBondContact O-N 2.91Å
186V49.5Very low56.6Low51 Ų5172.4 Ų72.431%0.30941%0.409SS..Hα-helixtrans-61-42.8177.4177.70000111.4Q182 Y183 S188 V189 G190 L207 L213Q182-V186 PolarHBondContact O-N 3.29Å; Q182-V186 VanDerWaalsContact O-N 3.12Å; Y183-V186 PolarHBondContact O-N 3.21Å; V186-S188 VanDerWaalsContact C-N 3.34Å; V186-S188 PolarHBondContact O-N 2.88Å; V186-V189 PolarHBondContact O-N 3.2Å; V186-G190 PolarHBondContact O-N 2.84Å; V186-L207 HydrophobicContact CB-CD1 4.47Å; V186-L207 HydrophobicContact CG1-CD1 3.86Å; V186-L207 HydrophobicContact CG1-CG 4.13Å; V186-L207 HydrophobicContact CG2-CD1 4.32Å; V186-L213 HydrophobicContact CG1-CD2 4.37Å
187S48.7Very low54.3Low55 Ų5572.6 Ų72.639%0.38543%0.425SS..Hα-helixtrans-68.6-30.7178.8-167.90000112.5Y183 L185 R191Y183-S187 WeakPolarHBondContact O-CB 3.4Å; Y183-S187 PolarHBondContact O-N 2.88Å; L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 3.2Å; S187-R191 VanDerWaalsContact O-CB 3.31Å; S187-R191 WeakPolarHBondContact O-CB 3.41Å; S187-R191 VanDerWaalsContact O-CG 3.23Å; S187-R191 WeakPolarHBondContact O-CG 3.48Å; S187-R191 PolarHBondContact O-N 3.3Å; S187-R191 PolarHBondContact O-NE 2.95Å; S187-R191 VanDerWaalsContact OG-CZ 3.27Å; S187-R191 PolarHBondContact OG-NE 3.15Å; S187-R191 PolarHBondContact OG-NH2 2.74Å
188S45Very low51.9Low42 Ų4279.5 Ų79.529%0.29446%0.461SS..Hα-helixtrans-74.4-36.1172.556.30000112.5D184 L185 V186 R191 M192D184-S188 WeakPolarHBondContact O-CB 3.48Å; D184-S188 PolarHBondContact O-N 3.05Å; D184-S188 PolarHBondContact O-OG 3.48Å; L185-S188 WeakPolarHBondContact CA-OG 3.28Å; L185-S188 PolarHBondContact O-N 3.39Å; L185-S188 PolarHBondContact O-OG 3.34Å; V186-S188 VanDerWaalsContact C-N 3.34Å; V186-S188 PolarHBondContact O-N 2.88Å; S188-R191 PolarHBondContact O-N 3.38Å; S188-M192 WeakPolarHBondContact O-CB 3.27Å; S188-M192 VanDerWaalsContact O-CG 3.31Å; S188-M192 WeakPolarHBondContact O-CG 3.44Å; S188-M192 PolarHBondContact O-N 2.95Å
189V42.2Very low49.4Very low80 Ų8086.6 Ų86.649%0.48550%0.497SS..Hα-helixtrans-59.6-49.4168.2172.70000111L185 V186 R191 M192 A193L185-V189 PolarHBondContact O-N 2.91Å; V186-V189 PolarHBondContact O-N 3.2Å; V189-R191 VanDerWaalsContact C-N 3.33Å; V189-R191 PolarHBondContact O-N 2.9Å; V189-M192 HydrophobicContact CG2-CE 4.29Å; V189-M192 PolarHBondContact O-N 2.67Å; V189-A193 PolarHBondContact O-N 3Å
190G40.7Very low47.1Very low42 Ų4290.9 Ų90.943%0.43353%0.525SS..Hα-helixtrans-60.4-38.5176.100000113.5V186 A194V186-G190 PolarHBondContact O-N 2.84Å; G190-A194 WeakPolarHBondContact O-CB 3.36Å; G190-A194 PolarHBondContact O-N 2.88Å; G190-A194 VanDerWaalsContact O-N 3.12Å
191R37.7Very low45.1Very low125 Ų12589.1 Ų89.147%0.47253%0.531SS..Hα-helixtrans-69.5-40.7174.6-76.5171.8-69.2-162.35.8112.1D184 S187 S188 V189 A194 T195D184-R191 IonicContact OD1-CZ 2.67Å; D184-R191 IonicContact OD1-NH1 2.88Å; D184-R191 IonicContact OD1-NH2 3.63Å; D184-R191 PolarHBondContact OD1-NH2 3.05Å; S187-R191 VanDerWaalsContact O-CB 3.31Å; S187-R191 WeakPolarHBondContact O-CB 3.41Å; S187-R191 VanDerWaalsContact O-CG 3.23Å; S187-R191 WeakPolarHBondContact O-CG 3.48Å; S187-R191 PolarHBondContact O-N 3.3Å; S187-R191 PolarHBondContact O-NE 2.95Å; S187-R191 VanDerWaalsContact OG-CZ 3.27Å; S187-R191 PolarHBondContact OG-NE 3.15Å; S187-R191 PolarHBondContact OG-NH2 2.74Å; S188-R191 PolarHBondContact O-N 3.38Å; V189-R191 VanDerWaalsContact C-N 3.33Å; V189-R191 PolarHBondContact O-N 2.9Å; R191-A194 PolarHBondContact O-N 3.39Å; R191-T195 WeakPolarHBondContact O-CG2 3.33Å; R191-T195 PolarHBondContact O-N 2.9Å; R191-T195 PolarHBondContact O-OG1 3.45Å
192M36.9Very low43.6Very low115 Ų11590.5 Ų90.557%0.56755%0.546SS*.Hα-helixtrans-61.6-45.6175.7-75.7-173.9-67.600111.5S188 V189 A194 T195S188-M192 WeakPolarHBondContact O-CB 3.27Å; S188-M192 VanDerWaalsContact O-CG 3.31Å; S188-M192 WeakPolarHBondContact O-CG 3.44Å; S188-M192 PolarHBondContact O-N 2.95Å; V189-M192 HydrophobicContact CG2-CE 4.29Å; V189-M192 PolarHBondContact O-N 2.67Å; M192-A194 VanDerWaalsContact C-N 3.28Å; M192-A194 PolarHBondContact O-N 2.92Å; M192-T195 WeakPolarHBondContact CA-OG1 3.34Å; M192-T195 PolarHBondContact O-N 3.31Å; M192-T195 PolarHBondContact O-OG1 3.28Å
193A38.9Very low42.7Very low42 Ų4292.8 Ų92.835%0.34756%0.56SS.*Hα-helixtrans-58-38.9173.900000112.6V189V189-A193 PolarHBondContact O-N 3Å
194A40.2Very low42.2Very low82 Ų8288.6 Ų88.668%0.67856%0.555SS**Hα-helixtrans-77.9-20.8178.900000114.8G190 R191 M192G190-A194 WeakPolarHBondContact O-CB 3.36Å; G190-A194 PolarHBondContact O-N 2.88Å; G190-A194 VanDerWaalsContact O-N 3.12Å; R191-A194 PolarHBondContact O-N 3.39Å; M192-A194 VanDerWaalsContact C-N 3.28Å; M192-A194 PolarHBondContact O-N 2.92Å
195T41.4Very low41.9Very low108 Ų10888.8 Ų88.866%0.66355%0.55SS*.Hα-helixtrans-83.6-13.1-176.546.80000115.5R191 M192 G197R191-T195 WeakPolarHBondContact O-CG2 3.33Å; R191-T195 PolarHBondContact O-N 2.9Å; R191-T195 PolarHBondContact O-OG1 3.45Å; M192-T195 WeakPolarHBondContact CA-OG1 3.34Å; M192-T195 PolarHBondContact O-N 3.31Å; M192-T195 PolarHBondContact O-OG1 3.28Å; T195-G197 PolarHBondContact O-N 2.88Å
196N38.6Very low41.8Very low126 Ų12688.9 Ų88.967%0.67455%0.55SS*.SBendtrans-80.4103.2172.7-81.2-15.6000110.2D198N196-D198 PolarHBondContact O-N 3.01Å
197G43.4Very low41.5Very low66 Ų6689.6 Ų89.668%0.6855%0.552SS**  trans-69.414.7-170.400000118.1T195 I199T195-G197 PolarHBondContact O-N 2.88Å; G197-I199 PolarHBondContact O-N 3.05Å
198D41.8Very low41.7Very low151 Ų15189.5 Ų89.581%0.80755%0.548SS*.  trans-97.577.9173.8-80.9-49.1000110N196 V200N196-D198 PolarHBondContact O-N 3.01Å; D198-V200 PolarHBondContact O-N 3.27Å
199I37.7Very low41.8Very low149 Ų14997.2 Ų97.276%0.76458%0.58SS**THydrogen-bonded Turntrans-80.556.7-166-38.3178.7000112.3G197G197-I199 PolarHBondContact O-N 3.05Å
200V38.6Very low42.3Very low149 Ų149101.1 Ų101.190%0.90359%0.593SS**THydrogen-bonded Turntrans-131.1-2.5178.4-161.10000112.6D198D198-V200 PolarHBondContact O-N 3.27Å
201G39.6Very low42.7Very low64 Ų64105.8 Ų105.866%0.6660%0.603SS**SBendtrans-156.421-179.800000115N203G201-N203 PolarHBondContact O-N 3.04Å
202A36.4Very low43Very low60 Ų60103 Ų10350%0.49660%0.601SS.*  trans-79.497.417800000110.3A204A202-A204 PolarHBondContact O-N 2.99Å
203N39.8Very low43.5Very low99 Ų99102 Ų10253%0.52960%0.597SS.*  trans-61.7106167.5-74.17.5000108.9G201 Y205G201-N203 PolarHBondContact O-N 3.04Å; N203-Y205 HydrophobicContact CB-CD2 4.49Å; N203-Y205 HydrophobicContact CB-CE2 3.76Å; N203-Y205 WeakPolarHBondContact O-CD2 3.45Å; N203-Y205 WeakPolarHBondContact O-CE2 3.28Å
204A43.4Very low43.9Very low58 Ų58103.2 Ų103.248%0.47960%0.6SS.*  trans-67.6155.2158.400000109A202 A216A202-A204 PolarHBondContact O-N 2.99Å; A204-A216 HydrophobicContact CB-CB 3.81Å; A204-A216 WeakPolarHBondContact O-CB 3.34Å; A204-A216 PolarHBondContact O-N 3.16Å
205Y48Very low44.3Very low99 Ų99102.7 Ų102.739%0.38859%0.59SS.*EExtended strand (participates in β ladder)trans-127.5147.7174.2-67.7-99.7000108.9N203 V214 P215N203-Y205 HydrophobicContact CB-CD2 4.49Å; N203-Y205 HydrophobicContact CB-CE2 3.76Å; N203-Y205 WeakPolarHBondContact O-CD2 3.45Å; N203-Y205 WeakPolarHBondContact O-CE2 3.28Å; Y205-V214 CarbonylContact C-O 3.59Å; Y205-V214 WeakPolarHBondContact CA-O 3.31Å; Y205-P215 HydrophobicContact CD1-CB 4.04Å; Y205-P215 HydrophobicContact CE1-CB 3.8Å; Y205-P215 HydrophobicContact CE1-CG 4.44Å
206I48.9Very low44.7Very low103 Ų10399.1 Ų99.153%0.52857%0.571SS.*EExtended strand (participates in β ladder)trans-115.5131178.2-55.9173.5000106.8V214 A216I206-V214 PolarHBondContact N-O 3.4Å; I206-V214 PolarHBondContact O-N 3.04Å; I206-A216 HydrophobicContact CD1-CB 3.91Å; I206-A216 HydrophobicContact CG1-CB 3.82Å
207L43.3Very low44.9Very low67 Ų6797.2 Ų97.235%0.35157%0.573SS.*EExtended strand (participates in β ladder)trans-74.6127.3162.5-78.7175.5000108.8V186 E211 T212 L213V186-L207 HydrophobicContact CB-CD1 4.47Å; V186-L207 HydrophobicContact CG1-CD1 3.86Å; V186-L207 HydrophobicContact CG1-CG 4.13Å; V186-L207 HydrophobicContact CG2-CD1 4.32Å; L207-E211 VanDerWaalsContact CD2-O 3.26Å; L207-E211 WeakPolarHBondContact CD2-O 3.34Å; L207-T212 WeakPolarHBondContact CA-O 3.47Å; L207-L213 HydrophobicContact CD2-CD2 3.94Å; L207-L213 HydrophobicContact CD2-CG 3.86Å; L207-L213 HydrophobicContact CG-CD2 4.23Å
208T53.7Low44.7Very low52 Ų5299.4 Ų99.432%0.31958%0.575SS.*  trans-75.7176168.565.10000111.1E210 E211 T212 V214T208-E210 PolarHBondContact O-N 2.93Å; T208-E210 PolarHBondContact OG1-N 2.92Å; T208-E210 VanDerWaalsContact OG1-N 3.12Å; T208-E211 PolarHBondContact O-N 3.37Å; T208-T212 WeakPolarHBondContact CG2-OG1 3.36Å; T208-T212 PolarHBondContact N-O 3.31Å; T208-T212 VanDerWaalsContact N-O 3.08Å; T208-T212 PolarHBondContact OG1-N 3.01Å; T208-T212 PolarHBondContact OG1-OG1 3.23Å; T208-V214 HydrophobicContact CG2-CB 4.4Å; T208-V214 HydrophobicContact CG2-CG2 3.61Å
209E46.4Very low44.6Very low205 Ų20597.8 Ų97.896%0.95857%0.573SS**THydrogen-bonded Turntrans-67.8-6.8168.5-59.9-176.5169.800112.8
210E52Low44.5Very low162 Ų16295.8 Ų95.876%0.75758%0.579SS**THydrogen-bonded Turntrans-105.617.6178.1-56178.6153.400112T208 T212T208-E210 PolarHBondContact O-N 2.93Å; T208-E210 PolarHBondContact OG1-N 2.92Å; T208-E210 VanDerWaalsContact OG1-N 3.12Å; E210-T212 PolarHBondContact O-N 2.8Å
211E49.5Very low44.3Very low139 Ų13995.8 Ų95.865%0.6557%0.573SS**SBendtrans59.26.1-176.2-54.8-165.3143.700115.8L207 T208L207-E211 VanDerWaalsContact CD2-O 3.26Å; L207-E211 WeakPolarHBondContact CD2-O 3.34Å; T208-E211 PolarHBondContact O-N 3.37Å
212T45.3Very low44Very low68 Ų68100.7 Ų100.742%0.41758%0.579SS.*  trans-76.1132.6179.254.90000112.4L207 T208 E210 V214L207-T212 WeakPolarHBondContact CA-O 3.47Å; T208-T212 WeakPolarHBondContact CG2-OG1 3.36Å; T208-T212 PolarHBondContact N-O 3.31Å; T208-T212 VanDerWaalsContact N-O 3.08Å; T208-T212 PolarHBondContact OG1-N 3.01Å; T208-T212 PolarHBondContact OG1-OG1 3.23Å; E210-T212 PolarHBondContact O-N 2.8Å; T212-V214 PolarHBondContact O-N 3.31Å
213L45.5Very low43.6Very low93 Ų93103.7 Ų103.749%0.48759%0.591SS.*EExtended strand (participates in β ladder)trans-83.787.8177.1-86.4166.8000111.3V186 L207V186-L213 HydrophobicContact CG1-CD2 4.37Å; L207-L213 HydrophobicContact CD2-CD2 3.94Å; L207-L213 HydrophobicContact CD2-CG 3.86Å; L207-L213 HydrophobicContact CG-CD2 4.23Å
214V48Very low42.9Very low68 Ų68104.3 Ų104.341%0.41260%0.598SS.*EExtended strand (participates in β ladder)trans-88.6133179.4-179.70000109.8Y205 I206 T208 T212 A216Y205-V214 CarbonylContact C-O 3.59Å; Y205-V214 WeakPolarHBondContact CA-O 3.31Å; I206-V214 PolarHBondContact N-O 3.4Å; I206-V214 PolarHBondContact O-N 3.04Å; T208-V214 HydrophobicContact CG2-CB 4.4Å; T208-V214 HydrophobicContact CG2-CG2 3.61Å; T212-V214 PolarHBondContact O-N 3.31Å; V214-A216 PolarHBondContact O-N 3.28Å
215P48Very low42Very low71 Ų71107.7 Ų107.746%0.46161%0.613SS.*EExtended strand (participates in β ladder)trans-59.9129173.524.4-33.3000110.2Y205 A217Y205-P215 HydrophobicContact CD1-CB 4.04Å; Y205-P215 HydrophobicContact CE1-CB 3.8Å; Y205-P215 HydrophobicContact CE1-CG 4.44Å; P215-A217 PolarHBondContact O-N 3.06Å
216A49.9Very low40.8Very low32 Ų32109.5 Ų109.526%0.26463%0.634SS.*  trans-62.2108177.600000109A204 I206 V214A204-A216 HydrophobicContact CB-CB 3.81Å; A204-A216 WeakPolarHBondContact O-CB 3.34Å; A204-A216 PolarHBondContact O-N 3.16Å; I206-A216 HydrophobicContact CD1-CB 3.91Å; I206-A216 HydrophobicContact CG1-CB 3.82Å; V214-A216 PolarHBondContact O-N 3.28Å
217A43.9Very low39.7Very low87 Ų87108.8 Ų108.872%0.71964%0.644SS**PPolyproline II helixtrans-56.6131.9173.800000109.1P215P215-A217 PolarHBondContact O-N 3.06Å
218P39.3Very low38.7Very low112 Ų112111.9 Ų111.973%0.72767%0.666SS**PPolyproline II helixtrans-58.8140.8175.825.5-33.7000109.1A220P218-A220 PolarHBondContact O-N 2.92Å; P218-A220 VanDerWaalsContact O-N 3.12Å
219P40.3Very low37.3Very low117 Ų117115.4 Ų115.476%0.7669%0.687SS**PPolyproline II helixtrans-58.9120.2-171.723-33.6000110.6D221P219-D221 PolarHBondContact O-N 2.9Å
220A35.4Very low36.5Very low107 Ų107112.6 Ų112.688%0.88468%0.684SS**SBendtrans-77.542-17600000113P218P218-A220 PolarHBondContact O-N 2.92Å; P218-A220 VanDerWaalsContact O-N 3.12Å
221D34.6Very low35.4Very low148 Ų148113.1 Ų113.179%0.79169%0.686SS**  trans-148.652.3-171.4-108.6-34.2000111.6P219P219-D221 PolarHBondContact O-N 2.9Å
222E32.4Very low34.5Very low167 Ų167114.9 Ų114.978%0.7870%0.695SS**  trans-123.182.8163.9-158.1170.1-13000111.7T224E222-T224 VanDerWaalsContact C-N 3.31Å; E222-T224 HydrophobicContact CG-CG2 4.37Å; E222-T224 PolarHBondContact O-N 3.46Å
223V26.9Very low33.8Very low124 Ų124116.6 Ų116.675%0.75271%0.71SS**  trans-70.184.7176.5-176.50000110V225V223-V225 VanDerWaalsContact C-N 3.35Å; V223-V225 HydrophobicContact CG1-CG2 4.25Å; V223-V225 PolarHBondContact O-N 2.94Å
224T26.3Very low33.2Very low111 Ų111116.9 Ų116.968%0.68172%0.719SS**  trans-74.283.4176.734.70000111.4E222 T226E222-T224 VanDerWaalsContact C-N 3.31Å; E222-T224 HydrophobicContact CG-CG2 4.37Å; E222-T224 PolarHBondContact O-N 3.46Å; T224-T226 PolarHBondContact O-N 3.38Å
225V25Very low32.4Very low129 Ų129120.5 Ų120.578%0.78274%0.736SS**  trans-58.8121.4172.3-179.40000109.7V223V223-V225 VanDerWaalsContact C-N 3.35Å; V223-V225 HydrophobicContact CG1-CG2 4.25Å; V223-V225 PolarHBondContact O-N 2.94Å
226T22.4Very low31.7Very low137 Ų137123.5 Ų123.584%0.8475%0.747SS**  trans-79.1138.1-174.351.50000113T224T224-T226 PolarHBondContact O-N 3.38Å
227A25Very low31.1Very low89 Ų89130.1 Ų130.174%0.73677%0.772SS**  trans-144.9112.8169.100000111.1
228T23.9Very low30.6Very low132 Ų132134.2 Ų134.281%0.8178%0.777SS**  trans14.9140.5146.3600000119.4
229T24.5Very low30.6Very low125 Ų125132.6 Ų132.677%0.76777%0.768SS**  cis-148.5147.341.249.10000113.9
230V28.7Very low30.4Very low147 Ų147134.1 Ų134.189%0.89177%0.77SS**  trans-123.5143.1153.7179.10000107.3
231E28.5Very low30.5Very low172 Ų172136.1 Ų136.180%0.80476%0.764SS**  trans-84.1177.1-172.3-58.4-173.4126.600113.4
232E30.2Very low30.5Very low177 Ų177133 Ų13383%0.82775%0.754SS**  trans65.985.7163-57.8-158.5146.200119.1
233S30.8Very low30.7Very low104 Ų104132.7 Ų132.773%0.72775%0.753SS**  140.6135.499.5-73.40000117.6
234S34.1Very low30.9Very low98 Ų98131.2 Ų131.269%0.68574%0.744SS**  trans68.499.615456.30000121.7
235N31.3Very low31.2Very low144 Ų144135 Ų13577%0.7775%0.751SS**  101.7132.6114.3-69-2.2000122
236I33.5Very low31.7Very low135 Ų135133.7 Ų133.769%0.69275%0.748SS**  trans74.6101.2154-63.7158.7000113.7
237E35.4Very low32.4Very low170 Ų170132.4 Ų132.479%0.79474%0.744SS**  66.5133.186.1-67166.3-178.800112
238E35.4Very low32.8Very low173 Ų173132.2 Ų132.281%0.80875%0.751SS**  cis-155.81689.4-117.1-158-120.700107.1
239S38.3Very low33.3Very low78 Ų78129 Ų12955%0.54574%0.744SS.*  cis-164.6178.1-9.132.30000109.6
240D36Very low33.8Very low150 Ų150131.3 Ų131.380%0.80275%0.752SS**  trans18.9149.6148.6-55-11.9000121.8
241I36.4Very low34.1Very low148 Ų148128.5 Ų128.576%0.75975%0.745SS**  cis-150.6144.129.414.3174000108.9
242S35.4Very low34.4Very low83 Ų83124.4 Ų124.458%0.5874%0.735SS**  62.2143.493.3119.40000115.2
243E36.7Very low34.7Very low161 Ų161122.1 Ų122.175%0.75273%0.728SS**  cis-165.2163.68.5-112.8157.8-88.300107.9
244T31.7Very low35Very low92 Ų92124.7 Ų124.756%0.56473%0.726SS**  cis-170.3176.7-25.227.60000108.6
245F32.9Very low35Very low190 Ų190126.5 Ų126.583%0.83373%0.728SS**  trans72.1148.2164.3-58.7-66.7000117.8
246S34.1Very low35Very low103 Ų103127.5 Ų127.572%0.7273%0.728SS**  cis163.6164.4-13-99.10000106.2
247S37.1Very low35Very low109 Ų109130.4 Ų130.476%0.76274%0.736SS**  cis-167.3143.7-3.843.50000111.3
248G34.8Very low34.6Very low85 Ų85128.2 Ų128.288%0.87673%0.728SS**  trans82.9145.3143.700000118
249G34.4Very low34.3Very low65 Ų65125.6 Ų125.667%0.6773%0.725SS**  cis162.1157.9-6.900000113
250D33.4Very low33.9Very low173 Ų173128 Ų12893%0.92574%0.736SS**  trans61.1152.8164.9-58.6-25.4000116.6
251A35.4Very low33.3Very low89 Ų89128.3 Ų128.374%0.73674%0.737SS**  cis-168.4161.1-9.700000106.3
252S36Very low32.9Very low86 Ų86128.4 Ų128.460%0.60174%0.744SS**  cis-177.8163-1157.80000108.4
253N35.8Very low32.5Very low128 Ų128133.5 Ų133.568%0.68476%0.756SS**  trans67.7142.9145.4-67.3-29.4000119.3
254K36.2Very low32Very low159 Ų159132.9 Ų132.969%0.69176%0.763SS**  cis-169.6169.9-9.6-125.3174.8179.4-169.20114.6
255D35.1Very low31.7Very low135 Ų135137 Ų13772%0.72277%0.773SS**  trans68.5107.9147-62-21.2000120
256E30.5Very low31.5Very low165 Ų165133.8 Ų133.877%0.77177%0.774SS**  trans-76.1160.2167.2-48.3153.3105.800112.9
257K34.3Very low31.3Very low196 Ų196132 Ų13285%0.85277%0.772SS**  trans-177115.5143.9-104.4151.7-170.9167.30108.6
258I27.9Very low30.8Very low124 Ų124135.7 Ų135.764%0.63678%0.777SS**  50.5111.158.7-39.3172000108.3
259T28Very low30.3Very low119 Ų119137.7 Ų137.773%0.7378%0.777SS**  -166.7179.853.1-25.60000112.4
260T29.2Very low29.9Very low127 Ų127138.2 Ų138.278%0.77978%0.783SS**  trans77.8122.5149.644.40000121.5
261L23.1Very low29.5Very low158 Ų158135.2 Ų135.283%0.82778%0.775SS**  trans-66.7152.9163-55.771.5000111.4
262T29.6Very low28.8Very low149 Ų149138.3 Ų138.391%0.91478%0.779SS**  -163.8126.2120.79.90000116
263K26.1Very low28.3Very low191 Ų191142.9 Ų142.983%0.8379%0.788SS**  trans-45.4137.1163.3177.3-173.9-162.7167.20116
264V26.9Very low27.9Very low147 Ų147143 Ų14389%0.89179%0.785SS**  trans-158.3166.8147128.90000111.3
265K25.7Very low27.3Very low180 Ų180142.4 Ų142.478%0.78379%0.787SS**  trans-108.4172.6-158.5-61178.4174.8-178.70115.7
266S28.9Very low26.7Very low122 Ų122147.6 Ų147.685%0.85380%0.797SS**  trans89.6145.3151.6780000118.4
267G28.3Very low26.3Very low65 Ų65147.7 Ų147.767%0.6780%0.795SS**  cis167.1176.2-10.200000115.4
268H27.8Very low26Very low187 Ų187144.5 Ų144.587%0.86679%0.792SS**  trans71.9109.7169-65.895.7000121
269S24.5Very low25.8Very low127 Ų127146.1 Ų146.189%0.88880%0.797SS**  63.3120.8120.6-160.20000121.3
270G26.1Very low25.9Very low76 Ų76148.7 Ų148.778%0.78481%0.805SS**  trans166.2108162.200000113.1
271S23.3Very low25.8Very low110 Ų110150 Ų15077%0.76981%0.808SS**  trans-77.4163.4-175.6-48.20000114.3
272N21.6Very low25.9Very low154 Ų154149.5 Ų149.582%0.82480%0.801SS**  trans69.991161.8-54.7-10.5000118.2
273K25.8Very low25.6Very low181 Ų181148.9 Ų148.979%0.78779%0.792SS**  trans-150.1120.8145.9-79-145.3171.4-1720109.5
274Q26.7Very low25.7Very low130 Ų130146 Ų14661%0.60779%0.791SS**  77.4114.676.8-72.2-178.4-84.500114.7
275I23.1Very low25.5Very low147 Ų147146.4 Ų146.475%0.75479%0.788SS**  trans35.9112.3135.8-53.5156.8000117.1
276W24.1Very low25.7Very low244 Ų244144 Ų14492%0.92479%0.788SS**  trans-128126.6155.8-7865.6000110
277K21.8Very low25.4Very low167 Ų167144.9 Ų144.973%0.72678%0.783SS**  trans-113.7139.4166.9-92.9-168.9169.2-163.50107.9
278T28.3Very low25.5Very low130 Ų130149.6 Ų149.680%0.79879%0.792SS**  trans-157.7111.9157.539.30000105
279E23.3Very low25.2Very low157 Ų157150.7 Ų150.773%0.73479%0.789SS**  cis63.486.948.8-68.5-173-164.300114.9
280L28.6Very low25.4Very low173 Ų173147.9 Ų147.991%0.90678%0.78SS**  trans-15193142.6-71.5-175.9000105.1
281N28.4Very low25.6Very low154 Ų154150 Ų15082%0.82477%0.769SS**  80.4147.771.5-162.231.7000113.8
282E24.9Very low25.7Very low149 Ų149150.8 Ų150.870%0.69677%0.765SS**  trans-100.8170.6-149.4-52.1174.3169.300116.7
283N24.3Very low26.1Very low135 Ų135149.3 Ų149.372%0.72277%0.766SS**  trans71.6140157.9-53-56.3000115.7
284T27.4Very low26.1Very low130 Ų130150.1 Ų150.180%0.79877%0.773SS**  cis-151.3157.636.646.50000114.3
285N23Very low26.1Very low156 Ų156148.8 Ų148.883%0.83479%0.785SS**  trans-56.4140166.8-80.9-61.9000114.3
286V28.5Very low26.2Very low131 Ų131150.9 Ų150.979%0.79479%0.791SS**  trans-133.7127.9143-178.60000107.8
287N23.9Very low26.3Very low140 Ų140146.2 Ų146.275%0.74979%0.79SS**  trans-115.4127.2-176.4-172-12.1000108.8
288L30Very low26.3Very low164 Ų164144.7 Ų144.786%0.85980%0.795SS**  trans-128.9133.7176.2-75.3177.3000110.2
289R21.9Very low26.3Very low210 Ų210143.8 Ų143.879%0.79279%0.791SS**  trans-117.2128.3-162.9159.7-177.2163.1176.5-1.4111.5E291R289-E291 HydrophobicContact CG-CG 4.19Å; R289-E291 IonicContact CZ-OE1 3.58Å; R289-E291 IonicContact NE-OE1 2.74Å; R289-E291 PolarHBondContact NE-OE1 2.83Å; R289-E291 IonicContact NH2-OE1 3.7Å; R289-E291 PolarHBondContact NH2-OE1 2.79Å
290G29.3Very low26.5Very low67 Ų67146.8 Ų146.869%0.69180%0.797SS**  trans-143.4129.6145.900000106.2
291E28.4Very low26.1Very low120 Ų120143.9 Ų143.956%0.56179%0.791SS**  cis60.2120.147.1-62.1-156.4-150.100112.9R289R289-E291 HydrophobicContact CG-CG 4.19Å; R289-E291 IonicContact CZ-OE1 3.58Å; R289-E291 IonicContact NE-OE1 2.74Å; R289-E291 PolarHBondContact NE-OE1 2.83Å; R289-E291 IonicContact NH2-OE1 3.7Å; R289-E291 PolarHBondContact NH2-OE1 2.79Å
292N27Very low26.1Very low127 Ų127143.7 Ų143.768%0.67979%0.789SS**  cis-158173.10.2-88.2-37.9000110.4
293S30.2Very low26.1Very low123 Ų123141.8 Ų141.886%0.8679%0.788SS**  trans103.2128.9149.6-36.80000117.4
294E24Very low26.1Very low198 Ų198144.5 Ų144.593%0.92580%0.796SS**  trans-90.9147.6175.3-54.2150119.600110.9
295A28.1Very low26.2Very low103 Ų103143.1 Ų143.185%0.85180%0.798SS**  trans-155.8116.3155.800000111
296Q24.2Very low26.3Very low191 Ų191142.7 Ų142.789%0.89380%0.796SS**  trans-87.5132.3169-63.8171.9-20.600110
297T26.8Very low26.4Very low145 Ų145144.5 Ų144.589%0.8980%0.801SS**  trans-166.1149.3138.3150000111.3
298T21.9Very low26.5Very low136 Ų136143.2 Ų143.283%0.83480%0.798SS**  trans-105.7-168.4176.158.20000110.4
299P29Very low26.3Very low110 Ų110142.1 Ų142.171%0.71479%0.793SS**  -111.3172.2-105.135.8-19.4000113.6
300Y25.9Very low26.8Very low221 Ų221138.1 Ų138.187%0.86780%0.797SS**  trans-149.7133.2167.2-110.5-79.9000113.1
301S21.7Very low26.8Very low112 Ų112142.8 Ų142.878%0.78381%0.805SS**  trans-103.3142.8171.8-23.10000109.9
302L27Very low27.1Very low149 Ų149142.7 Ų142.778%0.7882%0.815SS**  trans-160.599.9169.1-106.6154.5000113.3
303T25.1Very low27.1Very low109 Ų109143.8 Ų143.867%0.66982%0.82SS**  trans32.1123.9140.361.90000122.5
304Q24.6Very low26.9Very low193 Ų193143 Ų14390%0.90281%0.811SS**  39129.7125.2-66.3176.9-30.800121.5
305A29.7Very low27Very low101 Ų101142.7 Ų142.784%0.83581%0.806SS**  trans-151.8136141.200000110.1
306D25.2Very low26.9Very low147 Ų147145.8 Ų145.879%0.78681%0.809SS**  trans-73.3162178.5-49-80.8000113.1
307N30.6Very low27Very low168 Ų168145.9 Ų145.990%0.89881%0.806SS**  trans-168.5157.2131.7-96.9-64.7000110.2
308T26Very low27.1Very low113 Ų113140.8 Ų140.869%0.69378%0.776SS**  trans-110.1173.3-163.255.90000115.1
309D26.2Very low27.4Very low141 Ų141140 Ų14075%0.75477%0.766SS**  trans70.697.2155.5-53.7-54.9000119.8
310S32Very low27.4Very low126 Ų126139 Ų13988%0.88175%0.754SS**  179.2146.7113.7-760000112.8
311I30.4Very low27.6Very low166 Ų166133.9 Ų133.985%0.85175%0.746SS**  trans-136.5147.8-170.5-49.8167.3000108.4
312P33.9Very low27.8Very low117 Ų117132.3 Ų132.376%0.7675%0.747SS**  cis-124.9-170.5-36.739.5-24.1000110.9
313D27.4Very low27.7Very low150 Ų150132.7 Ų132.780%0.80275%0.751SS**  trans-148.3159.7138.7-142.7-31.9000112.8
314T24.4Very low27.9Very low108 Ų108132.1 Ų132.166%0.66374%0.742SS**  trans-72.5130.2-161.350.50000115.9
315K26.8Very low27.9Very low190 Ų190131.5 Ų131.583%0.82674%0.744SS**  157.6106.7129.9-83.9153.1-167.4166.10111.5
316N26.7Very low27.8Very low169 Ų169131.6 Ų131.690%0.90473%0.73SS**  trans-151.6144.7148.9-105-22.8000109.6
317K26.1Very low27.9Very low193 Ų193130.4 Ų130.484%0.83973%0.73SS**  trans-98.4131.7170.2-97.4-168.3169.4-161.90108
318P28Very low27.8Very low38 Ų38125.8 Ų125.825%0.24771%0.705CS.*  trans-71.7142.6160.730.5-30.8000109.7P342 Q379P318-P342 HydrophobicContact CB-CG 3.97Å; P318-Q379 HydrophobicContact CG-CG 4.23Å
319N28Very low28Very low120 Ų120127.7 Ų127.764%0.64271%0.711SS**  trans-90110.4164-82.1-19.9000107.7T321N319-T321 PolarHBondContact O-N 3.45Å
320L29Very low28Very low88 Ų88123.6 Ų123.646%0.46169%0.688SS.*  trans-85.589.3170.5-80.4132.2000109.4G322 V339 Q379 A383L320-G322 PolarHBondContact O-N 3.19Å; L320-V339 HydrophobicContact CD2-CG1 4.1Å; L320-Q379 HydrophobicContact CD1-CB 4.19Å; L320-A383 HydrophobicContact CD1-CB 4.32Å; L320-A383 HydrophobicContact CD2-CB 4.26Å
321T30.2Very low28Very low114 Ų114123.9 Ų123.970%0.69968%0.679SS**  trans-83.393.7167.417.90000109.7N319 D323N319-T321 PolarHBondContact O-N 3.45Å; T321-D323 VanDerWaalsContact C-N 3.34Å; T321-D323 PolarHBondContact O-N 3.39Å
322G26.9Very low28Very low78 Ų78119.3 Ų119.380%0.80466%0.661SS**  trans-75.880.4175.100000112.3L320L320-G322 PolarHBondContact O-N 3.19Å
323D25.5Very low27.8Very low158 Ų158117.3 Ų117.385%0.84565%0.648SS**  trans-15642.4176.8-107.2-30.7000112.3T321T321-D323 VanDerWaalsContact C-N 3.34Å; T321-D323 PolarHBondContact O-N 3.39Å
324I27.4Very low28Very low97 Ų97117.6 Ų117.650%0.49764%0.638SS.*  trans-128.8112.4172.2-6490000110.4L326I324-L326 HydrophobicContact CG2-CB 4.26Å; I324-L326 HydrophobicContact CG2-CD1 3.81Å; I324-L326 HydrophobicContact CG2-CG 3.64Å
325L26.1Very low28.8Very low180 Ų180117.1 Ų117.194%0.94263%0.632SS**  trans-110.388.5161.3-80.3173.7000108.5
326L27.3Very low29.4Very low103 Ų103109.7 Ų109.754%0.53960%0.602SS.*  trans-87.8144.1167.5-77.3168.5000110I324 L328I324-L326 HydrophobicContact CG2-CB 4.26Å; I324-L326 HydrophobicContact CG2-CD1 3.81Å; I324-L326 HydrophobicContact CG2-CG 3.64Å; L326-L328 PolarHBondContact O-N 2.77Å; L326-L328 VanDerWaalsContact O-N 3.17Å
327P26.4Very low30.3Very low122 Ų122104.7 Ų104.779%0.79257%0.574SS**  trans-72.1107.9172.829.9-32000109.1
328L28.9Very low31.3Very low70 Ų7098.4 Ų98.437%0.36655%0.549SS..  trans-75.5152.5167.8-76.2-176.3000111.4L326 I338 Y348L326-L328 PolarHBondContact O-N 2.77Å; L326-L328 VanDerWaalsContact O-N 3.17Å; L328-I338 HydrophobicContact CD1-CD1 3.39Å; L328-I338 HydrophobicContact CD1-CG1 3.62Å; L328-I338 HydrophobicContact CD2-CD1 4.38Å; L328-I338 HydrophobicContact CG-CD1 3.58Å; L328-I338 HydrophobicContact CG-CG1 4.35Å; L328-Y348 HydrophobicContact CD1-CD1 4.26Å; L328-Y348 HydrophobicContact CD1-CE1 3.74Å
329D29.9Very low32.4Very low154 Ų15497.5 Ų97.582%0.82454%0.542SS*.  trans-62.7154.7171.6-63.5-71.9000112.4D331D329-D331 PolarHBondContact O-N 2.83Å; D329-D331 VanDerWaalsContact O-N 3.14Å
330E27.8Very low33.3Very low55 Ų5597 Ų9726%0.25754%0.537SS..THydrogen-bonded Turntrans-80.494.2-170.6-63.7-177.6152.900113.2H507 I510 M511E330-H507 VanDerWaalsContact CD-ND1 3.35Å; E330-H507 IonicContact OE1-CE1 3.31Å; E330-H507 IonicContact OE1-ND1 2.64Å; E330-H507 WeakPolarHBondContact OE2-CA 3.38Å; E330-H507 IonicContact OE2-CE1 3.28Å; E330-H507 PolarHBondContact OE2-CE1 3.26Å; E330-H507 IonicContact OE2-CG 3.74Å; E330-H507 IonicContact OE2-ND1 2.75Å; E330-H507 PolarHBondContact OE2-ND1 3.29Å; E330-I510 HydrophobicContact CB-CD1 3.88Å; E330-I510 VanDerWaalsContact CD-CG2 3.41Å; E330-I510 HydrophobicContact CG-CG2 4.18Å; E330-I510 WeakPolarHBondContact OE1-CG2 3.46Å; E330-I510 WeakPolarHBondContact OE2-CB 3.4Å; E330-M511 WeakPolarHBondContact OE1-CG 3.41Å
331D31.5Very low34.5Very low132 Ų13294 Ų9471%0.70652%0.521SS*.THydrogen-bonded Turntrans-164.5-2150.7-107-27.5000114.7D329D329-D331 PolarHBondContact O-N 2.83Å; D329-D331 VanDerWaalsContact O-N 3.14Å
332C30.6Very low35Very low69 Ų6993.9 Ų93.947%0.46652%0.523SS..  trans-76.3134178.2-79.90000113.5V336C332-V336 HydrophobicContact CB-CG2 4.46Å
333P28.3Very low36Very low76 Ų7696.4 Ų96.449%0.49452%0.518SS..  trans-67.4156.917030.2-34.8000111.2D335 V336P333-D335 PolarHBondContact O-N 2.99Å; P333-V336 HydrophobicContact CG-CG2 4.19Å; P333-V336 VanDerWaalsContact O-CG2 3.3Å; P333-V336 WeakPolarHBondContact O-CG2 3.33Å
334R32.8Very low37.1Very low156 Ų15691.8 Ų91.859%0.58951%0.508SS*.SBendtrans-67.8-12.5-163.9-71.5-177.5137-166.8-8.9116.8V336 F519R334-V336 PolarHBondContact O-N 2.83Å; R334-F519 VanDerWaalsContact CZ-CG 3.4Å
335D41.2Very low38.2Very low98 Ų9893 Ų9352%0.52451%0.511SS..SBendtrans-97.847.4179.2-59.1-37.3000111.6P333 H350 H351P333-D335 PolarHBondContact O-N 2.99Å; D335-H350 VanDerWaalsContact O-CA 3.26Å; D335-H350 WeakPolarHBondContact O-CA 3.46Å; D335-H350 PolarHBondContact O-ND1 3Å; D335-H351 HydrophobicContact CB-CB 4.17Å; D335-H351 PolarHBondContact O-N 3.41Å
336V38.2Very low39.4Very low34 Ų3486.5 Ų86.521%0.20648%0.479CS..EExtended strand (participates in β ladder)trans-124.3111.8-179.3176.10000110.7C332 P333 R334 Y348 V349 H350C332-V336 HydrophobicContact CB-CG2 4.46Å; P333-V336 HydrophobicContact CG-CG2 4.19Å; P333-V336 VanDerWaalsContact O-CG2 3.3Å; P333-V336 WeakPolarHBondContact O-CG2 3.33Å; R334-V336 PolarHBondContact O-N 2.83Å; V336-Y348 HydrophobicContact CG1-CD1 4.09Å; V336-Y348 HydrophobicContact CG1-CG 4.47Å; V336-V349 WeakPolarHBondContact CA-O 3.28Å; V336-H350 HydrophobicContact CG2-CB 4.03Å
337M46.4Very low40.7Very low64 Ų6481.7 Ų81.732%0.31545%0.454SS..EExtended strand (participates in β ladder)trans-90.2126.5170.7175.8178.869.600110V339 V349 V380 L384M337-V339 HydrophobicContact CE-CG2 4.03Å; M337-V339 HydrophobicContact CG-CG2 4.37Å; M337-V349 HydrophobicContact CB-CB 4.25Å; M337-V349 HydrophobicContact CE-CB 4.17Å; M337-V349 HydrophobicContact CE-CG1 4.19Å; M337-V349 HydrophobicContact CE-CG2 4.21Å; M337-V349 PolarHBondContact N-O 2.75Å; M337-V349 WeakPolarHBondContact O-CB 3.48Å; M337-V349 PolarHBondContact O-N 3.47Å; M337-V380 HydrophobicContact CE-CG1 3.89Å; M337-L384 HydrophobicContact CE-CD1 4.33Å; M337-L384 HydrophobicContact CE-CD2 3.99Å; M337-L384 HydrophobicContact CE-CG 4.07Å; M337-L384 HydrophobicContact SD-CD2 3.93Å
338I47.2Very low41.9Very low60 Ų6078.3 Ų78.331%0.30843%0.426SS..EExtended strand (participates in β ladder)trans-83.4135.6178.5-36.6165.9000109L328 T346 L347L328-I338 HydrophobicContact CD1-CD1 3.39Å; L328-I338 HydrophobicContact CD1-CG1 3.62Å; L328-I338 HydrophobicContact CD2-CD1 4.38Å; L328-I338 HydrophobicContact CG-CD1 3.58Å; L328-I338 HydrophobicContact CG-CG1 4.35Å; I338-T346 HydrophobicContact CG2-CG2 3.71Å; I338-L347 WeakPolarHBondContact CA-O 3.45Å
339V51.1Low43.2Very low19 Ų1975.2 Ų75.212%0.11541%0.41CS..EExtended strand (participates in β ladder)trans-134.8110175-1780000109.3L320 M337 L347 V349L320-V339 HydrophobicContact CD2-CG1 4.1Å; M337-V339 HydrophobicContact CE-CG2 4.03Å; M337-V339 HydrophobicContact CG-CG2 4.37Å; V339-L347 HydrophobicContact CB-CB 4.28Å; V339-L347 PolarHBondContact N-O 2.9Å; V339-L347 WeakPolarHBondContact O-CB 3.46Å; V339-L347 PolarHBondContact O-N 3.28Å; V339-V349 HydrophobicContact CG2-CG2 3.9Å
340E46.3Very low44.3Very low111 Ų11170.2 Ų70.252%0.51938%0.381SS..EExtended strand (participates in β ladder)trans-76.1132167.3-66.8178.7171.200109.5
341T53.9Low45.6Very low23 Ų2371 Ų7114%0.14139%0.385CS..  trans-87.6160.8176.164.80000112D343 G344 E345 L347T341-D343 WeakPolarHBondContact CB-OD1 3.38Å; T341-D343 PolarHBondContact O-N 2.73Å; T341-D343 VanDerWaalsContact O-N 3.1Å; T341-D343 PolarHBondContact OG1-OD1 3.47Å; T341-G344 PolarHBondContact O-N 3.37Å; T341-E345 HydrophobicContact CG2-CB 4.47Å; T341-E345 PolarHBondContact N-O 2.92Å; T341-E345 WeakPolarHBondContact OG1-CB 3.41Å; T341-E345 PolarHBondContact OG1-N 3.49Å; T341-E345 PolarHBondContact OG1-O 3.06Å; T341-L347 HydrophobicContact CG2-CD1 3.35Å; T341-L347 HydrophobicContact CG2-CG 3.86Å
342P41Very low46.4Very low112 Ų11269.3 Ų69.373%0.72737%0.373SS*.THydrogen-bonded Turntrans-63.9-13.6179.4-23.135.1000115.6P318P318-P342 HydrophobicContact CB-CG 3.97Å
343D49.1Very low47.1Very low131 Ų13170.6 Ų70.670%0.70138%0.38SS*.THydrogen-bonded Turntrans-95.8-2.717327.623.3000113.6T341T341-D343 WeakPolarHBondContact CB-OD1 3.38Å; T341-D343 PolarHBondContact O-N 2.73Å; T341-D343 VanDerWaalsContact O-N 3.1Å; T341-D343 PolarHBondContact OG1-OD1 3.47Å
344G47.7Very low48.1Very low62 Ų6270.2 Ų70.264%0.63937%0.374SS*.SBendtrans89.918.1173.200000115.5T341T341-G344 PolarHBondContact O-N 3.37Å
345E49.7Very low48.7Very low122 Ų12273 Ų7357%0.5739%0.394SS*.  trans-84.5137.1171.4-56.9-171.4159.200110.3T341T341-E345 HydrophobicContact CG2-CB 4.47Å; T341-E345 PolarHBondContact N-O 2.92Å; T341-E345 WeakPolarHBondContact OG1-CB 3.41Å; T341-E345 PolarHBondContact OG1-N 3.49Å; T341-E345 PolarHBondContact OG1-O 3.06Å
346T53Low48.6Very low43 Ų4374.2 Ų74.226%0.26440%0.4SS..EExtended strand (participates in β ladder)trans-90.7119.9174.8-51.30000110.1I338 Y348 D366I338-T346 HydrophobicContact CG2-CG2 3.71Å; T346-Y348 HydrophobicContact CG2-CD2 4.5Å; T346-Y348 HydrophobicContact CG2-CE2 3.76Å; T346-D366 PolarHBondContact O-N 3.15Å
347L53Low48.6Very low2 Ų275.6 Ų75.61%0.0142%0.421CS..EExtended strand (participates in β ladder)trans-106.5144.2175.4-58.1167.8000111.4I338 V339 T341 I363 L364 V371 L376I338-L347 WeakPolarHBondContact CA-O 3.45Å; V339-L347 HydrophobicContact CB-CB 4.28Å; V339-L347 PolarHBondContact N-O 2.9Å; V339-L347 WeakPolarHBondContact O-CB 3.46Å; V339-L347 PolarHBondContact O-N 3.28Å; T341-L347 HydrophobicContact CG2-CD1 3.35Å; T341-L347 HydrophobicContact CG2-CG 3.86Å; L347-I363 HydrophobicContact CB-CG2 4.05Å; L347-I363 HydrophobicContact CD1-CG2 4.36Å; L347-I363 HydrophobicContact CD2-CG2 4.04Å; L347-I363 HydrophobicContact CG-CG2 4.4Å; L347-L364 WeakPolarHBondContact CA-O 3.1Å; L347-V371 HydrophobicContact CD2-CG1 4.47Å; L347-V371 HydrophobicContact CD2-CG2 3.99Å; L347-L376 HydrophobicContact CD1-CD1 3.72Å; L347-L376 HydrophobicContact CD1-CD2 3.69Å; L347-L376 HydrophobicContact CD1-CG 4.17Å; L347-L376 HydrophobicContact CD2-CD2 4.47Å
348Y51.9Low48.4Very low51 Ų5174.9 Ų74.920%0.242%0.422CS..EExtended strand (participates in β ladder)trans-117.7102.9-179-56.7-104.6000108L328 V336 T346 H350 L364L328-Y348 HydrophobicContact CD1-CD1 4.26Å; L328-Y348 HydrophobicContact CD1-CE1 3.74Å; V336-Y348 HydrophobicContact CG1-CD1 4.09Å; V336-Y348 HydrophobicContact CG1-CG 4.47Å; T346-Y348 HydrophobicContact CG2-CD2 4.5Å; T346-Y348 HydrophobicContact CG2-CE2 3.76Å; Y348-H350 PolarHBondContact O-N 3.32Å; Y348-L364 PolarHBondContact N-O 2.88Å; Y348-L364 PolarHBondContact O-N 2.96Å
349V56Low48.4Very low5 Ų576.3 Ų76.33%0.0344%0.438CS..EExtended strand (participates in β ladder)trans-90.398-179-178.20000109V336 M337 V339 L361 V362 I363 V380V336-V349 WeakPolarHBondContact CA-O 3.28Å; M337-V349 HydrophobicContact CB-CB 4.25Å; M337-V349 HydrophobicContact CE-CB 4.17Å; M337-V349 HydrophobicContact CE-CG1 4.19Å; M337-V349 HydrophobicContact CE-CG2 4.21Å; M337-V349 PolarHBondContact N-O 2.75Å; M337-V349 WeakPolarHBondContact O-CB 3.48Å; M337-V349 PolarHBondContact O-N 3.47Å; V339-V349 HydrophobicContact CG2-CG2 3.9Å; V349-L361 HydrophobicContact CG1-CB 4.5Å; V349-L361 HydrophobicContact CG1-CD1 4.35Å; V349-L361 HydrophobicContact CG1-CD2 4.32Å; V349-V362 CarbonylContact C-O 3.38Å; V349-V362 WeakPolarHBondContact CA-O 3.15Å; V349-I363 HydrophobicContact CG2-CG1 4.32Å; V349-I363 HydrophobicContact CG2-CG2 4.44Å; V349-V380 HydrophobicContact CB-CG1 4.49Å; V349-V380 HydrophobicContact CG1-CG1 3.68Å; V349-V380 HydrophobicContact CG2-CG1 4.07Å; V349-V380 HydrophobicContact CG2-CG2 4.09Å
350H54.3Low48.4Very low49 Ų4976 Ų7623%0.22744%0.439CS..EExtended strand (participates in β ladder)trans-90.7135.3177.9-174.238.2000112.1D335 V336 Y348 V362D335-H350 VanDerWaalsContact O-CA 3.26Å; D335-H350 WeakPolarHBondContact O-CA 3.46Å; D335-H350 PolarHBondContact O-ND1 3Å; V336-H350 HydrophobicContact CG2-CB 4.03Å; Y348-H350 PolarHBondContact O-N 3.32Å; H350-V362 HydrophobicContact CB-CB 4.45Å; H350-V362 PolarHBondContact N-O 3.31Å; H350-V362 PolarHBondContact O-N 2.95Å
351H54.5Low49Very low73 Ų7372.1 Ų72.134%0.33842%0.421SS..EExtended strand (participates in β ladder)trans-83.5111.3168174.5-97.9000110.9D335 S359 G360 L361D335-H351 HydrophobicContact CB-CB 4.17Å; D335-H351 PolarHBondContact O-N 3.41Å; H351-S359 WeakPolarHBondContact NE2-CB 3.36Å; H351-G360 WeakPolarHBondContact CA-O 3.45Å; H351-L361 HydrophobicContact CB-CD2 4.2Å
352Q49.3Very low49.3Very low96 Ų9671.8 Ų71.845%0.44942%0.419SS..EExtended strand (participates in β ladder)trans-106.3120.3177.8-173.9176.918.600110.3N354 G360 V362Q352-N354 PolarHBondContact O-N 3.41Å; Q352-G360 PolarHBondContact N-O 2.92Å; Q352-G360 VanDerWaalsContact O-CA 3.22Å; Q352-G360 WeakPolarHBondContact O-CA 3.4Å; Q352-G360 PolarHBondContact O-N 3.45Å; Q352-V362 HydrophobicContact CB-CG2 3.77Å
353P44.7Very low50.4Low95 Ų9566.6 Ų66.662%0.61739%0.385SS*.EExtended strand (participates in β ladder)trans-69.2126.2169.628.4-32.6000110.2
354N48.1Very low50.9Low68 Ų6862.7 Ų62.736%0.36436%0.364SS..  trans-77.3160.2175.8-67.6-40.7000111.5Q352 D356 G357 S358Q352-N354 PolarHBondContact O-N 3.41Å; N354-D356 VanDerWaalsContact CB-OD1 3.26Å; N354-D356 WeakPolarHBondContact CB-OD1 3.39Å; N354-D356 PolarHBondContact O-N 2.82Å; N354-G357 PolarHBondContact O-N 3.08Å; N354-S358 WeakPolarHBondContact CB-O 3.11Å; N354-S358 WeakPolarHBondContact CB-OG 3.3Å; N354-S358 PolarHBondContact N-O 3.43Å; N354-S358 PolarHBondContact ND2-OG 3.45Å
355E45.9Very low51.7Low216 Ų21661.2 Ų61.2100%1.00934%0.342SS*.THydrogen-bonded Turntrans-60.1-17.8179-64-169.8153.600114.3
356D40.4Very low52.2Low123 Ų12361.5 Ų61.566%0.65835%0.347SS*.THydrogen-bonded Turntrans-93.10.2177.264.44.7000114.1N354 S358N354-D356 VanDerWaalsContact CB-OD1 3.26Å; N354-D356 WeakPolarHBondContact CB-OD1 3.39Å; N354-D356 PolarHBondContact O-N 2.82Å; D356-S358 VanDerWaalsContact OD1-CB 3.26Å; D356-S358 WeakPolarHBondContact OD1-CB 3.3Å; D356-S358 PolarHBondContact OD1-N 2.93Å; D356-S358 PolarHBondContact OD1-OG 3Å
357G36.9Very low52.4Low63 Ų6362.9 Ų62.965%0.64936%0.363SS*.SBendtrans81.68.3-176.600000114.6N354N354-G357 PolarHBondContact O-N 3.08Å
358S42.2Very low52.4Low48 Ų4865.2 Ų65.234%0.33639%0.387SS..  trans-80.3151.5170.266.50000112.3N354 D356 G360N354-S358 WeakPolarHBondContact CB-O 3.11Å; N354-S358 WeakPolarHBondContact CB-OG 3.3Å; N354-S358 PolarHBondContact N-O 3.43Å; N354-S358 PolarHBondContact ND2-OG 3.45Å; D356-S358 VanDerWaalsContact OD1-CB 3.26Å; D356-S358 WeakPolarHBondContact OD1-CB 3.3Å; D356-S358 PolarHBondContact OD1-N 2.93Å; D356-S358 PolarHBondContact OD1-OG 3Å; S358-G360 PolarHBondContact O-N 3.27Å
359S46.5Very low52.9Low90 Ų9069 Ų6963%0.62941%0.407SS*.EExtended strand (participates in β ladder)trans-81.1107.417638.80000111.2H351H351-S359 WeakPolarHBondContact NE2-CB 3.36Å
360G52.9Low53.4Low13 Ų1373.9 Ų73.913%0.13443%0.429CS..EExtended strand (participates in β ladder)trans-88148.3169.800000111.8H351 Q352 S358H351-G360 WeakPolarHBondContact CA-O 3.45Å; Q352-G360 PolarHBondContact N-O 2.92Å; Q352-G360 VanDerWaalsContact O-CA 3.22Å; Q352-G360 WeakPolarHBondContact O-CA 3.4Å; Q352-G360 PolarHBondContact O-N 3.45Å; S358-G360 PolarHBondContact O-N 3.27Å
361L58.1Low53.9Low30 Ų3073.3 Ų73.316%0.15743%0.429CS..EExtended strand (participates in β ladder)trans-112.6127.9163.3-66-175.6000109.3V349 H351 V380 M381 L384V349-L361 HydrophobicContact CG1-CB 4.5Å; V349-L361 HydrophobicContact CG1-CD1 4.35Å; V349-L361 HydrophobicContact CG1-CD2 4.32Å; H351-L361 HydrophobicContact CB-CD2 4.2Å; L361-V380 HydrophobicContact CD1-CG1 4Å; L361-M381 HydrophobicContact CB-CE 4.39Å; L361-M381 HydrophobicContact CD1-CE 3.63Å; L361-M381 HydrophobicContact CD1-CG 4.44Å; L361-M381 HydrophobicContact CD1-SD 3.72Å; L361-M381 HydrophobicContact CG-CE 3.94Å; L361-L384 HydrophobicContact CD1-CD1 3.5Å
362V60.7Low54.3Low16 Ų1675.2 Ų75.210%0.09744%0.442CS..EExtended strand (participates in β ladder)trans-107.4130.2173179.70000107.4V349 H350 Q352 L364 Q370V349-V362 CarbonylContact C-O 3.38Å; V349-V362 WeakPolarHBondContact CA-O 3.15Å; H350-V362 HydrophobicContact CB-CB 4.45Å; H350-V362 PolarHBondContact N-O 3.31Å; H350-V362 PolarHBondContact O-N 2.95Å; Q352-V362 HydrophobicContact CB-CG2 3.77Å; V362-L364 HydrophobicContact CG1-CD2 3.71Å; V362-L364 HydrophobicContact CG1-CG 4.11Å; V362-Q370 HydrophobicContact CG1-CG 4.08Å
363I63.4Low55Low2 Ų274 Ų741%0.0144%0.439CS..EExtended strand (participates in β ladder)trans-105.1127.3171-49.2-177.2000107.2L347 V349 Q370 V371 L376 M377 V380L347-I363 HydrophobicContact CB-CG2 4.05Å; L347-I363 HydrophobicContact CD1-CG2 4.36Å; L347-I363 HydrophobicContact CD2-CG2 4.04Å; L347-I363 HydrophobicContact CG-CG2 4.4Å; V349-I363 HydrophobicContact CG2-CG1 4.32Å; V349-I363 HydrophobicContact CG2-CG2 4.44Å; I363-Q370 CarbonylContact O-C 3.58Å; I363-Q370 WeakPolarHBondContact O-CA 3.3Å; I363-V371 HydrophobicContact CB-CB 4.23Å; I363-V371 HydrophobicContact CG2-CB 4.02Å; I363-V371 PolarHBondContact O-N 3.11Å; I363-L376 HydrophobicContact CD1-CD2 3.96Å; I363-L376 HydrophobicContact CD1-CG 3.88Å; I363-L376 HydrophobicContact CG2-CD2 4.16Å; I363-M377 HydrophobicContact CD1-CB 4.3Å; I363-V380 HydrophobicContact CD1-CG2 4.11Å
364L59.5Low55.6Low50 Ų5074.4 Ų74.426%0.26244%0.441SS..EExtended strand (participates in β ladder)trans-114.1152.3173.5-50.5170.1000109.6L347 Y348 V362 E369 Q370L347-L364 WeakPolarHBondContact CA-O 3.1Å; Y348-L364 PolarHBondContact N-O 2.88Å; Y348-L364 PolarHBondContact O-N 2.96Å; V362-L364 HydrophobicContact CG1-CD2 3.71Å; V362-L364 HydrophobicContact CG1-CG 4.11Å; L364-E369 VanDerWaalsContact CA-O 3.3Å; L364-E369 WeakPolarHBondContact CA-O 3.26Å; L364-Q370 HydrophobicContact CD2-CB 4.42Å
365N65.5Low56Low31 Ų3175.5 Ų75.517%0.16645%0.45CS..  trans-90.4-178.816664.20.2000111.4A367 G368 E369 V371N365-A367 PolarHBondContact O-N 3.13Å; N365-A367 PolarHBondContact OD1-N 3.19Å; N365-G368 PolarHBondContact O-N 3.21Å; N365-G368 PolarHBondContact OD1-N 3.48Å; N365-G368 VanDerWaalsContact OD1-N 3.14Å; N365-E369 PolarHBondContact N-O 2.79Å; N365-E369 VanDerWaalsContact N-O 3.1Å; N365-E369 WeakPolarHBondContact OD1-CA 3.46Å; N365-E369 WeakPolarHBondContact OD1-CB 3.27Å; N365-E369 PolarHBondContact OD1-N 3.05Å; N365-E369 PolarHBondContact OD1-O 2.86Å; N365-V371 HydrophobicContact CB-CG2 3.84Å
366D58.7Low56.7Low128 Ų12866.3 Ų66.368%0.68441%0.408SS*.THydrogen-bonded Turntrans-52.6-32.7171.268.1-35.5000114.1T346 G368T346-D366 PolarHBondContact O-N 3.15Å; D366-G368 VanDerWaalsContact C-N 3.29Å; D366-G368 PolarHBondContact O-N 3.02Å
367A58.8Low57.4Low71 Ų7163.7 Ų63.759%0.58739%0.392SS*.THydrogen-bonded Turntrans-80.2-2.3175.400000114.4N365 E369N365-A367 PolarHBondContact O-N 3.13Å; N365-A367 PolarHBondContact OD1-N 3.19Å; A367-E369 VanDerWaalsContact C-N 3.3Å; A367-E369 HydrophobicContact CB-CG 4.23Å; A367-E369 PolarHBondContact O-N 3.03Å
368G51.5Low58.4Low51 Ų5163.6 Ų63.653%0.52639%0.385SS..  trans74.913-176.900000114.7N365 D366N365-G368 PolarHBondContact O-N 3.21Å; N365-G368 PolarHBondContact OD1-N 3.48Å; N365-G368 VanDerWaalsContact OD1-N 3.14Å; D366-G368 VanDerWaalsContact C-N 3.29Å; D366-G368 PolarHBondContact O-N 3.02Å
369E62.2Low59Low131 Ų13163.8 Ų63.861%0.61238%0.381SS*.  trans-85.4142.5177-57-171.5132.200111.5L364 N365 A367 V371L364-E369 VanDerWaalsContact CA-O 3.3Å; L364-E369 WeakPolarHBondContact CA-O 3.26Å; N365-E369 PolarHBondContact N-O 2.79Å; N365-E369 VanDerWaalsContact N-O 3.1Å; N365-E369 WeakPolarHBondContact OD1-CA 3.46Å; N365-E369 WeakPolarHBondContact OD1-CB 3.27Å; N365-E369 PolarHBondContact OD1-N 3.05Å; N365-E369 PolarHBondContact OD1-O 2.86Å; A367-E369 VanDerWaalsContact C-N 3.3Å; A367-E369 HydrophobicContact CB-CG 4.23Å; A367-E369 PolarHBondContact O-N 3.03Å; E369-V371 PolarHBondContact O-N 3.19Å
370Q67.8Low59.3Low107 Ų10759.7 Ų59.750%0.535%0.352SS..BIsolated β-bridgetrans-75.4110.3-176.9-169.3-173.435.900112.8V362 I363 L364 N372V362-Q370 HydrophobicContact CG1-CG 4.08Å; I363-Q370 CarbonylContact O-C 3.58Å; I363-Q370 WeakPolarHBondContact O-CA 3.3Å; L364-Q370 HydrophobicContact CD2-CB 4.42Å; Q370-N372 VanDerWaalsContact CD-ND2 3.33Å; Q370-N372 WeakPolarHBondContact CG-ND2 3.3Å; Q370-N372 PolarHBondContact O-N 3.39Å; Q370-N372 PolarHBondContact O-ND2 2.82Å; Q370-N372 VanDerWaalsContact O-ND2 3.11Å; Q370-N372 PolarHBondContact OE1-ND2 3.17Å
371V64.5Low59.2Low37 Ų3763.1 Ų63.122%0.22437%0.366CS..  trans-77.382179.5-173.20000110.4L347 I363 N365 E369 N373 L376L347-V371 HydrophobicContact CD2-CG1 4.47Å; L347-V371 HydrophobicContact CD2-CG2 3.99Å; I363-V371 HydrophobicContact CB-CB 4.23Å; I363-V371 HydrophobicContact CG2-CB 4.02Å; I363-V371 PolarHBondContact O-N 3.11Å; N365-V371 HydrophobicContact CB-CG2 3.84Å; E369-V371 PolarHBondContact O-N 3.19Å; V371-N373 HydrophobicContact CG1-CB 4.21Å; V371-N373 PolarHBondContact O-N 2.73Å; V371-L376 HydrophobicContact CG1-CD2 3.67Å
372N63.6Low59.1Low114 Ų11467.6 Ų67.661%0.6139%0.39SS*.  trans-75.958179.8-76.7-73.5000113Q370Q370-N372 VanDerWaalsContact CD-ND2 3.33Å; Q370-N372 WeakPolarHBondContact CG-ND2 3.3Å; Q370-N372 PolarHBondContact O-N 3.39Å; Q370-N372 PolarHBondContact O-ND2 2.82Å; Q370-N372 VanDerWaalsContact O-ND2 3.11Å; Q370-N372 PolarHBondContact OE1-ND2 3.17Å
373N63Low58.5Low71 Ų7168.2 Ų68.238%0.3840%0.396SS..  trans-104.7110.9177.8-178.7-19.1000110.9V371 T375 L376 M377V371-N373 HydrophobicContact CG1-CB 4.21Å; V371-N373 PolarHBondContact O-N 2.73Å; N373-T375 VanDerWaalsContact C-N 3.32Å; N373-T375 PolarHBondContact O-N 2.94Å; N373-T375 PolarHBondContact OD1-N 3.24Å; N373-L376 HydrophobicContact CB-CB 3.82Å; N373-L376 HydrophobicContact CB-CD2 4.2Å; N373-L376 PolarHBondContact O-N 3.42Å; N373-L376 PolarHBondContact OD1-N 3.32Å; N373-M377 PolarHBondContact O-N 3.45Å
374P57.3Low57.7Low103 Ų10370.9 Ų70.967%0.66941%0.41SS*.Hα-helixtrans-70.5-24.8-175.128.7-35.5000113.6A378P374-A378 WeakPolarHBondContact O-CB 3.47Å; P374-A378 PolarHBondContact O-N 3.34Å; P374-A378 VanDerWaalsContact O-N 3.12Å
375T57.1Low57.1Low90 Ų9074.1 Ų74.155%0.55243%0.432SS*.Hα-helixtrans-73.1-41.6176.7-56.80000110.8N373 A378 Q379N373-T375 VanDerWaalsContact C-N 3.32Å; N373-T375 PolarHBondContact O-N 2.94Å; N373-T375 PolarHBondContact OD1-N 3.24Å; T375-A378 PolarHBondContact O-N 3.36Å; T375-Q379 VanDerWaalsContact O-CD 3.31Å; T375-Q379 VanDerWaalsContact O-CG 3.26Å; T375-Q379 WeakPolarHBondContact O-CG 3.5Å; T375-Q379 PolarHBondContact O-N 3.11Å; T375-Q379 VanDerWaalsContact O-N 3.16Å
376L59.9Low55.9Low23 Ų2376.6 Ų76.612%0.1246%0.457CS..Hα-helixtrans-64.1-46.8174.5-176.968.5000111.3L347 I363 V371 N373 A378 Q379 V380L347-L376 HydrophobicContact CD1-CD1 3.72Å; L347-L376 HydrophobicContact CD1-CD2 3.69Å; L347-L376 HydrophobicContact CD1-CG 4.17Å; L347-L376 HydrophobicContact CD2-CD2 4.47Å; I363-L376 HydrophobicContact CD1-CD2 3.96Å; I363-L376 HydrophobicContact CD1-CG 3.88Å; I363-L376 HydrophobicContact CG2-CD2 4.16Å; V371-L376 HydrophobicContact CG1-CD2 3.67Å; N373-L376 HydrophobicContact CB-CB 3.82Å; N373-L376 HydrophobicContact CB-CD2 4.2Å; N373-L376 PolarHBondContact O-N 3.42Å; N373-L376 PolarHBondContact OD1-N 3.32Å; L376-A378 VanDerWaalsContact C-N 3.3Å; L376-A378 PolarHBondContact O-N 2.87Å; L376-Q379 WeakPolarHBondContact O-CB 3.45Å; L376-Q379 PolarHBondContact O-N 3.32Å; L376-Q379 VanDerWaalsContact O-N 3.07Å; L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 2.96Å
377M56Low54.8Low68 Ų6873.9 Ų73.934%0.33544%0.442SS..Hα-helixtrans-58.8-39.2175.9-174.8176.8-78.900112.6I363 N373 M381I363-M377 HydrophobicContact CD1-CB 4.3Å; N373-M377 PolarHBondContact O-N 3.45Å; M377-M381 VanDerWaalsContact O-CG 3.26Å; M377-M381 WeakPolarHBondContact O-CG 3.16Å; M377-M381 PolarHBondContact O-N 2.88Å
378A58.1Low53.6Low61 Ų6174.1 Ų74.150%0.50444%0.438SS..Hα-helixtrans-66.4-35.7174.500000113.1P374 T375 L376 D382P374-A378 WeakPolarHBondContact O-CB 3.47Å; P374-A378 PolarHBondContact O-N 3.34Å; P374-A378 VanDerWaalsContact O-N 3.12Å; T375-A378 PolarHBondContact O-N 3.36Å; L376-A378 VanDerWaalsContact C-N 3.3Å; L376-A378 PolarHBondContact O-N 2.87Å; A378-D382 PolarHBondContact O-N 2.86Å
379Q54.8Low52.8Low53 Ų5379.3 Ų79.325%0.24845%0.448CS..Hα-helixtrans-71.3-40.2177.6-69.3158.7-800112P318 L320 T375 L376 D382 A383P318-Q379 HydrophobicContact CG-CG 4.23Å; L320-Q379 HydrophobicContact CD1-CB 4.19Å; T375-Q379 VanDerWaalsContact O-CD 3.31Å; T375-Q379 VanDerWaalsContact O-CG 3.26Å; T375-Q379 WeakPolarHBondContact O-CG 3.5Å; T375-Q379 PolarHBondContact O-N 3.11Å; T375-Q379 VanDerWaalsContact O-N 3.16Å; L376-Q379 WeakPolarHBondContact O-CB 3.45Å; L376-Q379 PolarHBondContact O-N 3.32Å; L376-Q379 VanDerWaalsContact O-N 3.07Å; Q379-D382 PolarHBondContact O-N 2.68Å; Q379-A383 WeakPolarHBondContact O-CB 3.47Å; Q379-A383 PolarHBondContact O-N 2.99Å
380V52Low51.4Low3 Ų379 Ų792%0.01845%0.451CS..Hα-helixtrans-60.6-43.8172.6166.70000111.1M337 V349 L361 I363 L376 A383 L384M337-V380 HydrophobicContact CE-CG1 3.89Å; V349-V380 HydrophobicContact CB-CG1 4.49Å; V349-V380 HydrophobicContact CG1-CG1 3.68Å; V349-V380 HydrophobicContact CG2-CG1 4.07Å; V349-V380 HydrophobicContact CG2-CG2 4.09Å; L361-V380 HydrophobicContact CD1-CG1 4Å; I363-V380 HydrophobicContact CD1-CG2 4.11Å; L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 2.96Å; V380-A383 PolarHBondContact O-N 3.47Å; V380-L384 HydrophobicContact CG1-CD1 4.08Å; V380-L384 WeakPolarHBondContact O-CG 3.4Å; V380-L384 PolarHBondContact O-N 3.01Å
381M51.7Low49.8Very low86 Ų8677.3 Ų77.342%0.42445%0.447SS..Hα-helixtrans-63.3-42.8175-71.9-73.3-169.500112.8L361 M377 A383 L384 V385L361-M381 HydrophobicContact CB-CE 4.39Å; L361-M381 HydrophobicContact CD1-CE 3.63Å; L361-M381 HydrophobicContact CD1-CG 4.44Å; L361-M381 HydrophobicContact CD1-SD 3.72Å; L361-M381 HydrophobicContact CG-CE 3.94Å; M377-M381 VanDerWaalsContact O-CG 3.26Å; M377-M381 WeakPolarHBondContact O-CG 3.16Å; M377-M381 PolarHBondContact O-N 2.88Å; M381-A383 VanDerWaalsContact C-N 3.33Å; M381-A383 PolarHBondContact O-N 3.28Å; M381-L384 PolarHBondContact O-N 3.2Å; M381-V385 WeakPolarHBondContact O-CG2 3.42Å; M381-V385 PolarHBondContact O-N 3.44Å; M381-V385 VanDerWaalsContact O-N 3.12Å
382D54.3Low48.2Very low124 Ų12478.4 Ų78.466%0.66345%0.452SS*.Hα-helixtrans-65.2-36.9178.5-158.645.7000111.5A378 Q379 A386A378-D382 PolarHBondContact O-N 2.86Å; Q379-D382 PolarHBondContact O-N 2.68Å; D382-A386 PolarHBondContact O-N 2.83Å
383A49.5Very low46.5Very low28 Ų2876.4 Ų76.423%0.23145%0.446CS..Hα-helixtrans-66.6-43.9174.200000112.9L320 Q379 V380 M381 V385 A386L320-A383 HydrophobicContact CD1-CB 4.32Å; L320-A383 HydrophobicContact CD2-CB 4.26Å; Q379-A383 WeakPolarHBondContact O-CB 3.47Å; Q379-A383 PolarHBondContact O-N 2.99Å; V380-A383 PolarHBondContact O-N 3.47Å; M381-A383 VanDerWaalsContact C-N 3.33Å; M381-A383 PolarHBondContact O-N 3.28Å; A383-V385 VanDerWaalsContact C-N 3.3Å; A383-V385 PolarHBondContact O-N 3.17Å; A383-A386 WeakPolarHBondContact O-CB 3.43Å; A383-A386 PolarHBondContact O-N 3.43Å
384L46.7Very low44.9Very low58 Ų5881.1 Ų81.130%0.30447%0.466SS..Hα-helixtrans-62.5-36.4177-73.6165.6000112.2M337 L361 V380 M381 A386 L387M337-L384 HydrophobicContact CE-CD1 4.33Å; M337-L384 HydrophobicContact CE-CD2 3.99Å; M337-L384 HydrophobicContact CE-CG 4.07Å; M337-L384 HydrophobicContact SD-CD2 3.93Å; L361-L384 HydrophobicContact CD1-CD1 3.5Å; V380-L384 HydrophobicContact CG1-CD1 4.08Å; V380-L384 WeakPolarHBondContact O-CG 3.4Å; V380-L384 PolarHBondContact O-N 3.01Å; M381-L384 PolarHBondContact O-N 3.2Å; L384-A386 PolarHBondContact O-N 2.62Å; L384-L387 HydrophobicContact CD2-CD1 4.17Å; L384-L387 PolarHBondContact O-N 3.05Å
385V45.9Very low43.6Very low119 Ų11981.2 Ų81.272%0.72147%0.465SS*.Hα-helixtrans-70.5-18.1175.4171.30000112.8M381 A383M381-V385 WeakPolarHBondContact O-CG2 3.42Å; M381-V385 PolarHBondContact O-N 3.44Å; M381-V385 VanDerWaalsContact O-N 3.12Å; A383-V385 VanDerWaalsContact C-N 3.3Å; A383-V385 PolarHBondContact O-N 3.17Å
386A41.1Very low42.3Very low83 Ų8383.4 Ų83.469%0.68647%0.473SS*.THydrogen-bonded Turntrans-87.8-8178.800000114.5D382 A383 L384D382-A386 PolarHBondContact O-N 2.83Å; A383-A386 WeakPolarHBondContact O-CB 3.43Å; A383-A386 PolarHBondContact O-N 3.43Å; L384-A386 PolarHBondContact O-N 2.62Å
387L35.3Very low40.6Very low71 Ų7187 Ų8737%0.37250%0.499SS..SBendtrans-71.4148.3-179.3-68.7172.2000112.4L384 V391L384-L387 HydrophobicContact CD2-CD1 4.17Å; L384-L387 PolarHBondContact O-N 3.05Å; L387-V391 HydrophobicContact CD1-CG1 4.37Å
388P34Very low39.3Very low76 Ų7688.1 Ų88.149%0.49452%0.52SS..  trans-63.8142176.1-2032.4000112.2N390 V391P388-N390 PolarHBondContact O-N 3.09Å; P388-V391 PolarHBondContact O-N 2.88Å
389E33.5Very low37.8Very low159 Ų15992.8 Ų92.874%0.74354%0.536SS*.Hα-helixtrans-47.9-29.1179.4-67.1-176.4151.600113.5V391 I392 S393E389-V391 PolarHBondContact O-N 3.32Å; E389-I392 CarbonylContact O-C 3.47Å; E389-I392 PolarHBondContact O-N 3.1Å; E389-S393 WeakPolarHBondContact O-CB 3.31Å; E389-S393 PolarHBondContact O-N 3.11Å; E389-S393 PolarHBondContact O-OG 3.32Å
390N33.9Very low36.6Very low125 Ų12597.3 Ų97.367%0.66856%0.562SS**Hα-helixtrans-52.8-47.8173.4-46.823.7000112.8P388 S393P388-N390 PolarHBondContact O-N 3.09Å; N390-S393 WeakPolarHBondContact O-CB 3.24Å; N390-S393 PolarHBondContact O-N 2.87Å
391V33.2Very low35.4Very low71 Ų71101.7 Ų101.743%0.4359%0.593SS.*Hα-helixtrans-74.5-35.5-177.9-174.80000110.3L387 P388 E389 S393 T395L387-V391 HydrophobicContact CD1-CG1 4.37Å; P388-V391 PolarHBondContact O-N 2.88Å; E389-V391 PolarHBondContact O-N 3.32Å; V391-S393 PolarHBondContact O-N 3.37Å; V391-T395 PolarHBondContact O-OG1 3.47Å
392I31.2Very low34.2Very low61 Ų61104.7 Ų104.731%0.31361%0.611SS.*Hα-helixtrans-70.1-23174.4-26.9178.6000111.5E389 T395 L396E389-I392 CarbonylContact O-C 3.47Å; E389-I392 PolarHBondContact O-N 3.1Å; I392-T395 WeakPolarHBondContact CA-OG1 3.43Å; I392-T395 PolarHBondContact O-OG1 2.96Å; I392-L396 HydrophobicContact CB-CD1 4.41Å; I392-L396 HydrophobicContact CG2-CD1 3.58Å; I392-L396 HydrophobicContact CG2-CG 4.08Å; I392-L396 VanDerWaalsContact O-CB 3.25Å; I392-L396 WeakPolarHBondContact O-CB 3.33Å; I392-L396 WeakPolarHBondContact O-CD1 3.42Å; I392-L396 WeakPolarHBondContact O-CG 3.47Å; I392-L396 PolarHBondContact O-N 2.81Å
393S28.3Very low32.9Very low71 Ų71104.3 Ų104.350%0.49761%0.612SS.*Hα-helixtrans-74.5-37.6-178.2-62.90000112.9E389 N390 V391 T395 S397E389-S393 WeakPolarHBondContact O-CB 3.31Å; E389-S393 PolarHBondContact O-N 3.11Å; E389-S393 PolarHBondContact O-OG 3.32Å; N390-S393 WeakPolarHBondContact O-CB 3.24Å; N390-S393 PolarHBondContact O-N 2.87Å; V391-S393 PolarHBondContact O-N 3.37Å; S393-T395 PolarHBondContact O-N 3.03Å; S393-S397 PolarHBondContact O-OG 3.44Å
394E30.2Very low31.8Very low170 Ų170109.6 Ų109.679%0.79464%0.637SS**Hα-helixtrans-76.6-13.8177-64.9-178.5153.600112.4
395T30.1Very low30.9Very low106 Ų106113 Ų11365%0.6565%0.654SS**THydrogen-bonded Turntrans-102.3-2.4175.643.90000114.1V391 I392 S393V391-T395 PolarHBondContact O-OG1 3.47Å; I392-T395 WeakPolarHBondContact CA-OG1 3.43Å; I392-T395 PolarHBondContact O-OG1 2.96Å; S393-T395 PolarHBondContact O-N 3.03Å
396L28.7Very low29.9Very low136 Ų136116.2 Ų116.271%0.71266%0.661SS**SBendtrans-116.610.7180-73.9175.9000114.3I392I392-L396 HydrophobicContact CB-CD1 4.41Å; I392-L396 HydrophobicContact CG2-CD1 3.58Å; I392-L396 HydrophobicContact CG2-CG 4.08Å; I392-L396 VanDerWaalsContact O-CB 3.25Å; I392-L396 WeakPolarHBondContact O-CB 3.33Å; I392-L396 WeakPolarHBondContact O-CD1 3.42Å; I392-L396 WeakPolarHBondContact O-CG 3.47Å; I392-L396 PolarHBondContact O-N 2.81Å
397S24.5Very low29.2Very low97 Ų97116.2 Ų116.268%0.67866%0.656SS**  trans-111.146.1-170.757.30000114.9S393S393-S397 PolarHBondContact O-OG 3.44Å
398A29Very low28.8Very low92 Ų92121.7 Ų121.776%0.7668%0.68SS**SBendtrans-134.9142.5165.900000111.3N400A398-N400 PolarHBondContact O-N 2.99Å
399D27.1Very low28.6Very low160 Ų160126.2 Ų126.286%0.85670%0.699SS**  trans-44.5121.3-164.8-68.2-56.9000117.7
400N29.6Very low28.4Very low147 Ų147124.3 Ų124.379%0.78669%0.694SS**  trans-144.676.6153-114.6-44.5000112A398A398-N400 PolarHBondContact O-N 2.99Å
401S26.4Very low28.2Very low96 Ų96123.5 Ų123.567%0.67169%0.694SS**  trans-75.9124.7170.274.90000110.6
402N25.6Very low28.1Very low148 Ų148124 Ų12479%0.79170%0.701SS**  trans7676.8174.1-38.3-83.7000117.8
403V26.9Very low28.1Very low116 Ų116127.7 Ų127.770%0.70372%0.72SS**  trans-133.8143.1139.8177.40000108.8I405V403-I405 HydrophobicContact CG1-CD1 3.77Å; V403-I405 HydrophobicContact CG1-CG1 3.88Å
404N27Very low28.1Very low139 Ų139130 Ų13074%0.74373%0.726SS**  trans-129.394.4-174.3-18096.5000110.6
405I27.6Very low28.2Very low130 Ų130129.2 Ų129.267%0.66772%0.723SS**  trans-121.890.4179.6-62.4171000109.3V403 S407V403-I405 HydrophobicContact CG1-CD1 3.77Å; V403-I405 HydrophobicContact CG1-CG1 3.88Å; I405-S407 WeakPolarHBondContact CG2-OG 3.47Å; I405-S407 PolarHBondContact O-N 2.85Å
406E25Very low28.2Very low186 Ų186134.6 Ų134.687%0.86973%0.731SS**  trans-87.882.7163.8-72.3-170.3133.100109.4
407S26.6Very low28.2Very low84 Ų84135.6 Ų135.659%0.58774%0.736SS**  trans-156.5137170.654.80000112.9I405I405-S407 WeakPolarHBondContact CG2-OG 3.47Å; I405-S407 PolarHBondContact O-N 2.85Å
408E26.7Very low28.4Very low185 Ų185139.3 Ų139.386%0.86474%0.74SS**SBendtrans61.867.8163.6-55.6-167.4173.100117.9
409L29.1Very low28.5Very low172 Ų172144 Ų14490%0.90174%0.743SS**SBend-160.7171.7114-124.867.6000112.2T411L409-T411 PolarHBondContact O-N 3.37Å
410D28.9Very low28.5Very low118 Ų118142 Ų14263%0.63174%0.742SS**  trans-63.3121.7-154.4-151.9-54.3000115.7S412D410-S412 PolarHBondContact O-N 3.29Å; D410-S412 VanDerWaalsContact OD1-CB 3.23Å; D410-S412 WeakPolarHBondContact OD1-CB 3.37Å; D410-S412 PolarHBondContact OD1-N 3.2Å; D410-S412 PolarHBondContact OD1-OG 2.86Å
411T30.2Very low28.5Very low108 Ų108139.8 Ų139.866%0.66374%0.736SS**THydrogen-bonded Turntrans-70.20.7-176.555.70000114.8L409L409-T411 PolarHBondContact O-N 3.37Å
412S31.6Very low28.6Very low83 Ų83142.4 Ų142.458%0.5874%0.742SS**THydrogen-bonded Turntrans-75.9-26.8-171.8-60.90000115.4D410D410-S412 PolarHBondContact O-N 3.29Å; D410-S412 VanDerWaalsContact OD1-CB 3.23Å; D410-S412 WeakPolarHBondContact OD1-CB 3.37Å; D410-S412 PolarHBondContact OD1-N 3.2Å; D410-S412 PolarHBondContact OD1-OG 2.86Å
413L30.1Very low28.7Very low138 Ų138141.5 Ų141.572%0.72374%0.737SS**SBendtrans-90.4-41.5-176.1-66.1178.4000113.6Q415 R416L413-Q415 PolarHBondContact O-N 3.18Å; L413-R416 PolarHBondContact O-N 3.43Å
414L29.9Very low28.6Very low118 Ų118146 Ų14662%0.61874%0.742SS**Hα-helixtrans-61.8-17.9-176.9-80.8164.5000114.5
415Q32.7Very low28.5Very low154 Ų154147 Ų14772%0.7275%0.747SS**Hα-helixtrans-78-14.4175.4-64.4-166.610.500114.3L413L413-Q415 PolarHBondContact O-N 3.18Å
416R29.1Very low28.4Very low220 Ų220146.5 Ų146.583%0.8375%0.752SS**Hα-helixtrans-83.3-29.1-179.8-88.4-176.3162.8-170.6-4.1114.5L413L413-R416 PolarHBondContact O-N 3.43Å
417L28.8Very low28.4Very low156 Ų156148.8 Ų148.882%0.81775%0.753SS**Hα-helixtrans-84.3-27.5-175.7-72.2163.7000113.8K419L417-K419 VanDerWaalsContact C-N 3.26Å; L417-K419 PolarHBondContact O-N 3.3Å
418K29.7Very low28.4Very low176 Ų176149.7 Ų149.777%0.76576%0.757SS**  trans-79.950.7-173.8-68.5-178175.7175.70114.6
419K30.1Very low28.3Very low190 Ų190149.2 Ų149.283%0.82675%0.754SS**  trans-145.471.2174.6-76.4-165.9178.5173.80116.5L417L417-K419 VanDerWaalsContact C-N 3.26Å; L417-K419 PolarHBondContact O-N 3.3Å
420S27.9Very low28.1Very low118 Ų118151.1 Ų151.183%0.82576%0.756SS**  trans-166.7131.6131-159.70000111.6
421P29.8Very low27.9Very low101 Ų101152.7 Ų152.766%0.65676%0.764SS**  trans-111.6155.8-175.939.4-32.8000115.5
422N26.9Very low27.6Very low150 Ų150156.6 Ų156.680%0.80277%0.772SS**  trans73.2145.8170.6-46.5-63.5000114.9
423N27.4Very low27.3Very low129 Ų129159.5 Ų159.569%0.6979%0.786SS**  cis-159121.836.5-176.138.1000114.9
424R24.8Very low27Very low212 Ų212161 Ų16180%0.879%0.793SS**  trans27113.4147.4-56.6173.7-176.8179.3-0.2120.3
425N26.5Very low26.8Very low158 Ų158159.5 Ų159.585%0.84580%0.798SS**  174.1140.1108.6-86.8-14.5000111.5
426P24.9Very low26.7Very low120 Ų120157.6 Ų157.678%0.77979%0.793SS**  trans-98.8168.1179.837.9-34.9000114.7
427R24.2Very low26.5Very low235 Ų235155.6 Ų155.689%0.88779%0.786SS**  trans85.4147.4-172.9-64.9-172.4172.9-156.3-3.8114.6
428P28.1Very low26.4Very low103 Ų103152.2 Ų152.267%0.66977%0.769SS**  cis-123.3161.218.242-29.3000117.8
429E24.4Very low26.3Very low174 Ų174150 Ų15081%0.81376%0.756SS**  trans31.297.8143.3-68.1155.7-141.300119.6
430F24.2Very low26Very low213 Ų213145.5 Ų145.593%0.93474%0.744SS**  trans-85.4140.6149.1-102.3-108000109.6
431N23.7Very low26Very low150 Ų150146 Ų14680%0.80273%0.732SS**  trans-161.6144.8173.2-136.3-31000111.8
432K25.8Very low25.7Very low190 Ų190150.9 Ų150.983%0.82675%0.746SS**  trans73.186.7176.5-51.5-179.6179-174.50119.4
433T24.7Very low25.6Very low144 Ų144147.9 Ų147.988%0.88374%0.736SS**  trans-148.775.8144.6-47.80000112.1
434I24Very low25.4Very low170 Ų170147.3 Ų147.387%0.87274%0.743SS**  trans-142.4102.6158.9-55.8-178.8000108
435A26.1Very low25.6Very low87 Ų87144.2 Ų144.272%0.71975%0.747SS**  trans-174.4130.1167.500000111
436N28.7Very low25.5Very low113 Ų113144.8 Ų144.860%0.60475%0.751SS**  trans117.395.4168.5-65.4-16.4000114.2
437Y25.8Very low25.5Very low178 Ų178142.7 Ų142.770%0.69875%0.751SS**  trans-141.545.3159.6-111.8-77.5000111.3
438D26.2Very low25.5Very low86 Ų86138 Ų13846%0.4675%0.753SS.*  trans-102.498.4179.5-80.155.3000111.1Y515D438-Y515 HydrophobicContact CB-CE2 4.46Å; D438-Y515 WeakPolarHBondContact OD2-CE2 3.37Å
439R27.1Very low25.3Very low129 Ų129141 Ų14149%0.48776%0.758SS.*  trans138.9107.7152.3-77.3148.7-177.3-93.2-13.3113.8D93D93-R439 IonicContact OD1-CZ 3.49Å; D93-R439 IonicContact OD1-NH1 2.73Å; D93-R439 PolarHBondContact OD1-NH1 2.87Å; D93-R439 IonicContact OD1-NH2 2.75Å; D93-R439 PolarHBondContact OD1-NH2 2.88Å; D93-R439 IonicContact OD2-CZ 3.52Å; D93-R439 IonicContact OD2-NH1 3.41Å; D93-R439 PolarHBondContact OD2-NH1 3.14Å; D93-R439 IonicContact OD2-NH2 3.89Å
440V25.8Very low25.3Very low96 Ų96139.7 Ų139.758%0.58276%0.762SS**  -154.6150.2104.1-151.80000103M511V440-M511 HydrophobicContact CB-CE 4.31Å; V440-M511 WeakPolarHBondContact O-CE 3.22Å
441F26.5Very low25.3Very low128 Ų128133.2 Ų133.256%0.56176%0.755SS**  cis-147.4159.141.8-105.5-104.9000112.9H507F441-H507 AromaticContact CD2-CD2 3.86Å; F441-H507 AromaticContact CD2-CE1 3.94Å; F441-H507 AromaticContact CD2-NE2 2.97Å; F441-H507 WeakPolarHBondContact CD2-NE2 3.18Å; F441-H507 AromaticContact CE2-CE1 3.79Å; F441-H507 AromaticContact CE2-NE2 3.14Å; F441-H507 WeakPolarHBondContact CE2-NE2 3.27Å; F441-H507 AromaticContact CG-NE2 3.86Å
442Q23.7Very low25.3Very low204 Ų204136.1 Ų136.195%0.95376%0.755SS**  trans-139100.8157-79.5-167.5-2.300109.4
443S25.4Very low25.2Very low86 Ų86133.3 Ų133.360%0.60176%0.756SS**  trans-134.298.9174.748.90000112.1
444S23.7Very low25.3Very low118 Ų118132 Ų13283%0.82574%0.743SS**  trans54.290.4140.2-54.90000119.4
445T27.5Very low25.4Very low146 Ų146128.5 Ų128.590%0.89673%0.734SS**  trans-154.9161.4133.17.80000111.9
446N25.1Very low25.5Very low170 Ų170128.5 Ų128.591%0.90973%0.727SS**  trans-97.7122.5-165-72-69.9000113.9
447G24.1Very low25.5Very low77 Ų77125.6 Ų125.679%0.79471%0.713SS**  trans89.794.3132.300000118.5
448C25.3Very low25.5Very low136 Ų136125.8 Ų125.892%0.91972%0.72SS**  trans-141.4177.6130.3-150.10000110.5
449Q24.4Very low25.6Very low167 Ų167125.5 Ų125.578%0.7872%0.721SS**  trans-105.1152.6-167.9-60.71791.300112.7
450T24.5Very low25.6Very low145 Ų145125.8 Ų125.889%0.8973%0.731SS**  trans57.7117.7161.954.60000118.7
451G24.3Very low25.6Very low77 Ų77128 Ų12879%0.79474%0.74SS**  trans-164.3150.6166.300000112.2
452R23Very low25.7Very low211 Ų211130.1 Ų130.180%0.79676%0.757SS**  trans-87.9164.6157.7-77.9174.9163.4175.1-6.9108.2L454R452-L454 HydrophobicContact CB-CD2 4.38Å; R452-L454 HydrophobicContact CB-CG 4.38Å; R452-L454 PolarHBondContact O-N 2.99Å; R452-L454 VanDerWaalsContact O-N 3.17Å
453P24.1Very low25.9Very low132 Ų132129 Ų12986%0.85775%0.751SS**  trans-59.6114.6145.229.2-31.8000107.6
454L25.3Very low26.2Very low116 Ų116131.9 Ų131.961%0.60776%0.76SS**  trans-98.7159.4169.8-70.6170.8000108.6R452 E498R452-L454 HydrophobicContact CB-CD2 4.38Å; R452-L454 HydrophobicContact CB-CG 4.38Å; R452-L454 PolarHBondContact O-N 2.99Å; R452-L454 VanDerWaalsContact O-N 3.17Å; L454-E498 WeakPolarHBondContact CB-OE2 3.24Å
455S26.5Very low26.8Very low97 Ų97134.2 Ų134.268%0.67876%0.763SS**  trans-89.8142.9179.249.10000110T457S455-T457 PolarHBondContact O-N 3.4Å
456P29.2Very low26.9Very low87 Ų87135 Ų13557%0.56576%0.762SS**SBendtrans-50.3104.4179.1-30.237.1000114.5
457T28.9Very low27.7Very low52 Ų52136.3 Ų136.332%0.31976%0.763SS.*  trans42.7127.115458.70000122.7S455 C496 E498S455-T457 PolarHBondContact O-N 3.4Å; T457-C496 HydrophobicContact CG2-CB 3.45Å; T457-C496 VanDerWaalsContact CG2-CB 3.45Å; T457-C496 WeakPolarHBondContact CG2-O 3.48Å; T457-C496 WeakPolarHBondContact OG1-CB 3.25Å; T457-C496 PolarHBondContact OG1-O 3.37Å; T457-E498 HydrophobicContact CG2-CG 3.99Å
458H25.9Very low27.9Very low182 Ų182139.6 Ų139.684%0.84376%0.762SS**  trans-72.6140.4141.2-94.3-79.9000111.5
459T27.6Very low28.5Very low80 Ų80140.7 Ų140.749%0.49176%0.758SS.*  trans-136.2101.6149.444.60000106.7
460I27.6Very low28.7Very low134 Ų134138.1 Ų138.169%0.68775%0.75SS**  74.6113.877.7-66.4175.1000112
461D25Very low29.1Very low143 Ų143136.1 Ų136.177%0.76573%0.734SS**  trans5882.3159-55-5.2000119.4
462N28.9Very low29.4Very low173 Ų173140.5 Ų140.593%0.92574%0.739SS**  -134.2143.6123.3-82.9-67.2000109.2
463E28.2Very low29.9Very low179 Ų179135.9 Ų135.984%0.83673%0.726SS**  trans-86.7162.6172.5-62.1-180129.900110
464D30.5Very low30.4Very low147 Ų147135.5 Ų135.579%0.78673%0.727SS**  trans6191172-55.9-22.2000117.6
465D37.2Very low31.6Very low167 Ų167133.4 Ų133.489%0.89371%0.714SS**  -177145.9104.5-94.5-28.3000112.3
466D30.3Very low33.5Very low163 Ų163131.8 Ų131.887%0.87270%0.703SS**  trans-88130.2173.1-64.9-70.9000110.8
467E40.4Very low35.7Very low198 Ų198129.2 Ų129.293%0.92568%0.684SS**  trans-159.4150146.8-121170.7-143.300113.7
468D29.5Very low37.9Very low146 Ų146127.4 Ų127.478%0.78167%0.673SS**  trans-78.4123-171.8-61-82.6000113.4
469L36.9Very low40.4Very low159 Ų159118.9 Ų118.983%0.83263%0.633SS**  trans-133.198.5163-73.5177.3000112.2N471L469-N471 VanDerWaalsContact C-N 3.34Å; L469-N471 PolarHBondContact O-N 3.01Å
470D28.9Very low42.7Very low112 Ų112118.1 Ų118.160%0.59962%0.624SS**  trans-68.588.2160.4-59.7-79.2000108.7R14R14-D470 IonicContact CZ-OD2 2.71Å; R14-D470 IonicContact NH1-OD1 2.65Å; R14-D470 PolarHBondContact NH1-OD1 3.21Å; R14-D470 IonicContact NH1-OD2 3.42Å; R14-D470 PolarHBondContact NH1-OD2 3.45Å; R14-D470 IonicContact NH2-OD2 3.49Å
471N32.3Very low45.3Very low104 Ų104111.8 Ų111.856%0.55659%0.592SS**  trans-109.7123.4-174.6-152.128000113L469 E473L469-N471 VanDerWaalsContact C-N 3.34Å; L469-N471 PolarHBondContact O-N 3.01Å; N471-E473 PolarHBondContact ND2-OE2 2.92Å; N471-E473 PolarHBondContact O-N 3.45Å
472D30.7Very low48Very low169 Ų169105.1 Ų105.190%0.90456%0.556SS**  trans-78.227.7-172.8-90.4-46.8000113.8
473E34.2Very low50.4Low113 Ų11398.6 Ų98.653%0.52853%0.527SS..  trans-111.586.3-158.5-72.2-175.5156.700113.7N471 E475N471-E473 PolarHBondContact ND2-OE2 2.92Å; N471-E473 PolarHBondContact O-N 3.45Å; E473-E475 HydrophobicContact CB-CB 4.36Å; E473-E475 HydrophobicContact CB-CG 4.09Å; E473-E475 HydrophobicContact CG-CG 4.27Å; E473-E475 PolarHBondContact O-N 3.3Å
474S35Very low52.8Low124 Ų12490.2 Ų90.287%0.86749%0.487SS*.  trans-70.264.5139.665.50000109.1S476S474-S476 PolarHBondContact O-N 3.36Å
475E50.3Low55.1Low73 Ų7384 Ų8434%0.34146%0.456SS..  trans-59.9136.8175.9-106.7-160.5145.200109.5E473 A479 H480E473-E475 HydrophobicContact CB-CB 4.36Å; E473-E475 HydrophobicContact CB-CG 4.09Å; E473-E475 HydrophobicContact CG-CG 4.27Å; E473-E475 PolarHBondContact O-N 3.3Å; E475-A479 HydrophobicContact CB-CB 4.27Å; E475-A479 HydrophobicContact CG-CB 3.91Å; E475-A479 WeakPolarHBondContact OE1-CB 3.33Å; E475-H480 IonicContact OE2-CE1 2.69Å; E475-H480 PolarHBondContact OE2-CE1 3.01Å; E475-H480 IonicContact OE2-CG 3.57Å; E475-H480 IonicContact OE2-ND1 3.83Å; E475-H480 PolarHBondContact OE2-ND1 3.17Å
476S65.5Low57.1Low63 Ų6380.8 Ų80.844%0.44144%0.439SS..  trans-63.6148.6172.9-179.60000109.7S474 V478 A479 H480S474-S476 PolarHBondContact O-N 3.36Å; S476-V478 PolarHBondContact O-N 3.44Å; S476-V478 VanDerWaalsContact O-N 3.11Å; S476-V478 WeakPolarHBondContact OG-CG2 3.12Å; S476-V478 PolarHBondContact OG-N 3.45Å; S476-A479 WeakPolarHBondContact O-CA 3.35Å; S476-A479 VanDerWaalsContact O-CB 3.26Å; S476-A479 WeakPolarHBondContact O-CB 3.43Å; S476-A479 PolarHBondContact O-N 2.96Å; S476-H480 PolarHBondContact O-N 2.7Å
477L75.4Confident59Low33 Ų3378.8 Ų78.817%0.17343%0.425CS..Hα-helixtrans-49.9-37.4166.7175.963000111.2A479 H480 L481 I495 W512 N516 I518L477-A479 VanDerWaalsContact C-N 3.26Å; L477-A479 PolarHBondContact O-N 3.21Å; L477-H480 PolarHBondContact O-N 3.29Å; L477-L481 HydrophobicContact CD1-CD1 4.32Å; L477-L481 HydrophobicContact CD1-CG 4.3Å; L477-L481 HydrophobicContact CG-CD1 4Å; L477-L481 HydrophobicContact CG-CG 4.4Å; L477-L481 WeakPolarHBondContact O-CG 3.49Å; L477-L481 PolarHBondContact O-N 3.48Å; L477-I495 HydrophobicContact CD1-CD1 3.85Å; L477-I495 HydrophobicContact CD1-CG2 3.84Å; L477-W512 HydrophobicContact CD2-CH2 3.62Å; L477-W512 HydrophobicContact CD2-CZ2 3.66Å; L477-N516 HydrophobicContact CD2-CB 4.03Å; L477-N516 WeakPolarHBondContact CD2-OD1 3.29Å; L477-I518 HydrophobicContact CD2-CD1 4.01Å
478V76.4Confident60.1Low14 Ų1470.5 Ų70.59%0.08539%0.388CS..Hα-helixtrans-63.5-30177.3-169.30000112.2S476 A482 N516 F533 Y535S476-V478 PolarHBondContact O-N 3.44Å; S476-V478 VanDerWaalsContact O-N 3.11Å; S476-V478 WeakPolarHBondContact OG-CG2 3.12Å; S476-V478 PolarHBondContact OG-N 3.45Å; V478-A482 VanDerWaalsContact O-CB 3.29Å; V478-A482 WeakPolarHBondContact O-CB 3.32Å; V478-A482 PolarHBondContact O-N 2.91Å; V478-N516 WeakPolarHBondContact CG2-O 3.41Å; V478-F533 HydrophobicContact CG1-CB 4.42Å; V478-F533 HydrophobicContact CG1-CD2 3.57Å; V478-F533 HydrophobicContact CG1-CE2 4.26Å; V478-F533 HydrophobicContact CG1-CG 4.35Å; V478-Y535 HydrophobicContact CG1-CD2 4.19Å
479A77.8Confident61.4Low2 Ų272 Ų722%0.01739%0.39CS..Hα-helixtrans-73.7-46.5175.900000111.5E475 S476 L477 L481 A482 A483 Y535E475-A479 HydrophobicContact CB-CB 4.27Å; E475-A479 HydrophobicContact CG-CB 3.91Å; E475-A479 WeakPolarHBondContact OE1-CB 3.33Å; S476-A479 WeakPolarHBondContact O-CA 3.35Å; S476-A479 VanDerWaalsContact O-CB 3.26Å; S476-A479 WeakPolarHBondContact O-CB 3.43Å; S476-A479 PolarHBondContact O-N 2.96Å; L477-A479 VanDerWaalsContact C-N 3.26Å; L477-A479 PolarHBondContact O-N 3.21Å; A479-L481 VanDerWaalsContact C-N 3.34Å; A479-L481 PolarHBondContact O-N 3.49Å; A479-A482 PolarHBondContact O-N 2.71Å; A479-A483 PolarHBondContact O-N 3.34Å; A479-Y535 HydrophobicContact CB-CE1 4.19Å; A479-Y535 HydrophobicContact CB-CE2 3.69Å; A479-Y535 VanDerWaalsContact CB-CZ 3.49Å; A479-Y535 WeakPolarHBondContact CB-OH 3.33Å
480H76.1Confident62.1Low65 Ų6567.8 Ų67.830%0.30137%0.374SS..Hα-helixtrans-58.9-43.6172.8-79.943.9000111.9E475 S476 L477 A483 F484 I495E475-H480 IonicContact OE2-CE1 2.69Å; E475-H480 PolarHBondContact OE2-CE1 3.01Å; E475-H480 IonicContact OE2-CG 3.57Å; E475-H480 IonicContact OE2-ND1 3.83Å; E475-H480 PolarHBondContact OE2-ND1 3.17Å; S476-H480 PolarHBondContact O-N 2.7Å; L477-H480 PolarHBondContact O-N 3.29Å; H480-A483 PolarHBondContact O-N 3.29Å; H480-F484 PolarHBondContact O-N 3Å; H480-I495 HydrophobicContact CB-CD1 4Å
481L80.8Confident63.1Low0 Ų066.2 Ų66.20%036%0.363CS..Hα-helixtrans-65.9-37176.5-68173.8000112.2L477 A479 A485 I518 I531 F533 L542 F555 L564L477-L481 HydrophobicContact CD1-CD1 4.32Å; L477-L481 HydrophobicContact CD1-CG 4.3Å; L477-L481 HydrophobicContact CG-CD1 4Å; L477-L481 HydrophobicContact CG-CG 4.4Å; L477-L481 WeakPolarHBondContact O-CG 3.49Å; L477-L481 PolarHBondContact O-N 3.48Å; A479-L481 VanDerWaalsContact C-N 3.34Å; A479-L481 PolarHBondContact O-N 3.49Å; L481-A485 VanDerWaalsContact O-CB 3.27Å; L481-A485 WeakPolarHBondContact O-CB 3.47Å; L481-A485 PolarHBondContact O-N 3.49Å; L481-I518 HydrophobicContact CD1-CD1 3.57Å; L481-I518 HydrophobicContact CD1-CG1 4.38Å; L481-I531 HydrophobicContact CD1-CD1 4.48Å; L481-F533 HydrophobicContact CB-CE1 4.01Å; L481-F533 HydrophobicContact CB-CE2 3.91Å; L481-F533 HydrophobicContact CB-CZ 3.5Å; L481-F533 VanDerWaalsContact CB-CZ 3.5Å; L481-L542 HydrophobicContact CB-CD1 4.24Å; L481-L542 HydrophobicContact CD2-CD1 3.98Å; L481-F555 HydrophobicContact CD2-CB 4.25Å; L481-F555 HydrophobicContact CD2-CD1 3.97Å; L481-F555 HydrophobicContact CD2-CD2 3.8Å; L481-F555 HydrophobicContact CD2-CE1 4.29Å; L481-F555 HydrophobicContact CD2-CE2 4.12Å; L481-F555 HydrophobicContact CD2-CG 3.72Å; L481-F555 HydrophobicContact CD2-CZ 4.36Å; L481-L564 HydrophobicContact CD2-CD2 4.17Å
482A82.1Confident63.8Low3 Ų370.6 Ų70.63%0.02538%0.38CS..Hα-helixtrans-68.4-35.9173.400000112.7V478 A479 A485 N486 F533 Y535 Y540V478-A482 VanDerWaalsContact O-CB 3.29Å; V478-A482 WeakPolarHBondContact O-CB 3.32Å; V478-A482 PolarHBondContact O-N 2.91Å; A479-A482 PolarHBondContact O-N 2.71Å; A482-A485 PolarHBondContact O-N 3.34Å; A482-N486 PolarHBondContact O-N 3.02Å; A482-N486 VanDerWaalsContact O-N 3.08Å; A482-N486 PolarHBondContact O-ND2 3.24Å; A482-F533 HydrophobicContact CB-CE2 4.09Å; A482-Y535 HydrophobicContact CB-CD1 3.31Å; A482-Y535 HydrophobicContact CB-CE1 4.07Å; A482-Y535 HydrophobicContact CB-CG 3.75Å; A482-Y540 HydrophobicContact CB-CD2 4.26Å; A482-Y540 HydrophobicContact CB-CE2 4.15Å
483A79.9Confident64.5Low36 Ų3665.3 Ų65.330%0.29835%0.354SS..Hα-helixtrans-64-47.917400000110.9A479 H480 A485 N486 Q487A479-A483 PolarHBondContact O-N 3.34Å; H480-A483 PolarHBondContact O-N 3.29Å; A483-A485 PolarHBondContact O-N 3.09Å; A483-N486 PolarHBondContact O-N 3.24Å; A483-Q487 PolarHBondContact O-N 2.88Å
484F78.6Confident65.1Low3 Ų362.7 Ų62.71%0.01335%0.346CS..Hα-helixtrans-61.3-40.8174.8176.1-111.1000112.8H480 N486 Q487 P488 L542 F555 H557 L564H480-F484 PolarHBondContact O-N 3Å; F484-N486 VanDerWaalsContact C-N 3.28Å; F484-N486 PolarHBondContact O-N 3.47Å; F484-Q487 CarbonylContact O-C 3.52Å; F484-Q487 PolarHBondContact O-N 3.03Å; F484-P488 HydrophobicContact CD2-CB 4.46Å; F484-P488 HydrophobicContact CE2-CB 4.14Å; F484-L542 HydrophobicContact CD1-CD1 3.93Å; F484-L542 HydrophobicContact CD1-CD2 3.97Å; F484-L542 HydrophobicContact CE1-CD1 4.42Å; F484-L542 HydrophobicContact CE1-CD2 4.04Å; F484-F555 HydrophobicContact CE1-CB 4.42Å; F484-H557 HydrophobicContact CE1-CB 4.26Å; F484-H557 HydrophobicContact CZ-CB 4.19Å; F484-L564 HydrophobicContact CB-CD2 4.24Å; F484-L564 HydrophobicContact CD1-CB 4.42Å; F484-L564 HydrophobicContact CD1-CD2 4.1Å; F484-L564 HydrophobicContact CD2-CB 4.36Å; F484-L564 HydrophobicContact CD2-CD1 3.8Å; F484-L564 HydrophobicContact CD2-CD2 4.43Å; F484-L564 HydrophobicContact CD2-CG 4.44Å; F484-L564 HydrophobicContact CE1-CB 4.12Å; F484-L564 HydrophobicContact CE2-CB 4.05Å; F484-L564 HydrophobicContact CE2-CD1 4.14Å; F484-L564 HydrophobicContact CG-CD1 4.18Å; F484-L564 HydrophobicContact CG-CD2 4.01Å; F484-L564 HydrophobicContact CG-CG 4.49Å; F484-L564 HydrophobicContact CZ-CB 3.92Å
485A79.5Confident65.8Low16 Ų1658.4 Ų58.413%0.13231%0.313CS..Hα-helixtrans-65.6-27.9176.400000113.5L481 A482 A483 Y540 L542 H557L481-A485 VanDerWaalsContact O-CB 3.27Å; L481-A485 WeakPolarHBondContact O-CB 3.47Å; L481-A485 PolarHBondContact O-N 3.49Å; A482-A485 PolarHBondContact O-N 3.34Å; A483-A485 PolarHBondContact O-N 3.09Å; A485-Y540 HydrophobicContact CB-CD1 3.63Å; A485-Y540 HydrophobicContact CB-CE1 4.34Å; A485-Y540 HydrophobicContact CB-CG 4.41Å; A485-L542 HydrophobicContact CB-CD2 3.96Å; A485-L542 HydrophobicContact CB-CG 4.36Å; A485-H557 PolarHBondContact O-NE2 2.81Å
486N78.4Confident65.6Low100 Ų10056.4 Ų56.454%0.53531%0.307SS..Hα-helixtrans-88.6-28.9175.8-81-68.4000113.8A482 A483 F484 Y540A482-N486 PolarHBondContact O-N 3.02Å; A482-N486 VanDerWaalsContact O-N 3.08Å; A482-N486 PolarHBondContact O-ND2 3.24Å; A483-N486 PolarHBondContact O-N 3.24Å; F484-N486 VanDerWaalsContact C-N 3.28Å; F484-N486 PolarHBondContact O-N 3.47Å; N486-Y540 WeakPolarHBondContact ND2-CE1 3.49Å; N486-Y540 PolarHBondContact ND2-OH 3.27Å
487Q71.2Confident64.9Low122 Ų12254.5 Ų54.557%0.5729%0.293SS*.  trans-143.975.3-175.6-61.5-172.713.400112.2A483 F484 E489 S490A483-Q487 PolarHBondContact O-N 2.88Å; F484-Q487 CarbonylContact O-C 3.52Å; F484-Q487 PolarHBondContact O-N 3.03Å; Q487-E489 PolarHBondContact O-N 3.26Å; Q487-E489 VanDerWaalsContact O-N 3.11Å; Q487-S490 VanDerWaalsContact CB-OG 3.26Å; Q487-S490 WeakPolarHBondContact CB-OG 3.41Å; Q487-S490 PolarHBondContact O-N 2.83Å; Q487-S490 PolarHBondContact O-OG 2.99Å; Q487-S490 PolarHBondContact OE1-OG 2.94Å
488P61.8Low63.4Low24 Ų2458 Ų5816%0.15631%0.308CS..THydrogen-bonded Turntrans-71.4-6.4-178.132.1-39.1000113.9F484 H557 Q562F484-P488 HydrophobicContact CD2-CB 4.46Å; F484-P488 HydrophobicContact CE2-CB 4.14Å; P488-H557 HydrophobicContact CB-CB 3.85Å; P488-H557 HydrophobicContact CG-CB 4.33Å; P488-Q562 HydrophobicContact CB-CB 4.32Å
489E58.5Low61.9Low177 Ų17760.2 Ų60.283%0.82733%0.334SS*.THydrogen-bonded Turntrans-90.6-14.5175.3-61.7-163.514700114.3Q487Q487-E489 PolarHBondContact O-N 3.26Å; Q487-E489 VanDerWaalsContact O-N 3.11Å
490S51.7Low60.7Low71 Ų7161 Ų6150%0.49734%0.337SS..SBendtrans-103.5-9.2-166.966.10000116.4Q487Q487-S490 VanDerWaalsContact CB-OG 3.26Å; Q487-S490 WeakPolarHBondContact CB-OG 3.41Å; Q487-S490 PolarHBondContact O-N 2.83Å; Q487-S490 PolarHBondContact O-OG 2.99Å; Q487-S490 PolarHBondContact OE1-OG 2.94Å
491Q49.5Very low59.5Low78 Ų7860.5 Ų60.536%0.36435%0.35SS..  trans-138.2122.3177.3-62.1-168.7-1.500112.8T493Q491-T493 HydrophobicContact CB-CG2 4.33Å; Q491-T493 WeakPolarHBondContact CB-OG1 3.31Å; Q491-T493 PolarHBondContact OE1-OG1 2.88Å
492Q45.6Very low58.4Low196 Ų19665.3 Ų65.392%0.91638%0.384SS*.  trans-99.961.1165.6-71.9-170.1-16.200110
493T45.4Very low57.2Low58 Ų5868.4 Ų68.436%0.35642%0.415SS..  trans-102.589.7-175.238.10000110.8Q491 I495 L564Q491-T493 HydrophobicContact CB-CG2 4.33Å; Q491-T493 WeakPolarHBondContact CB-OG1 3.31Å; Q491-T493 PolarHBondContact OE1-OG1 2.88Å; T493-I495 WeakPolarHBondContact O-CG1 3.17Å; T493-I495 PolarHBondContact O-N 2.92Å; T493-L564 WeakPolarHBondContact O-CD1 3.13Å; T493-L564 VanDerWaalsContact O-CG 3.31Å; T493-L564 WeakPolarHBondContact O-CG 3.48Å
494T46.8Very low56.5Low59 Ų5967.9 Ų67.936%0.36241%0.411SS..  trans-63.1101.617710.60000110.5C496 L564T494-C496 VanDerWaalsContact C-N 3.32Å; T494-C496 PolarHBondContact O-N 3.29Å; T494-L564 WeakPolarHBondContact CG2-OXT 3.44Å
495I50.9Low56Low33 Ų3370.4 Ų70.417%0.16943%0.429CS..  trans-76.582.9178.4-51.8-175.4000109.5L477 H480 T493 V497 L564L477-I495 HydrophobicContact CD1-CD1 3.85Å; L477-I495 HydrophobicContact CD1-CG2 3.84Å; H480-I495 HydrophobicContact CB-CD1 4Å; T493-I495 WeakPolarHBondContact O-CG1 3.17Å; T493-I495 PolarHBondContact O-N 2.92Å; I495-V497 HydrophobicContact CG2-CG2 4.25Å; I495-V497 PolarHBondContact O-N 2.97Å; I495-L564 HydrophobicContact CD1-CD2 3.71Å; I495-L564 HydrophobicContact CG1-CD2 3.99Å; I495-L564 HydrophobicContact CG1-CG 4.31Å
496C45.6Very low55.4Low31 Ų3173.1 Ų73.121%0.20944%0.444CS..  trans-75.595.4174.8-76.80000110.8T457 T494 E498T457-C496 HydrophobicContact CG2-CB 3.45Å; T457-C496 VanDerWaalsContact CG2-CB 3.45Å; T457-C496 WeakPolarHBondContact CG2-O 3.48Å; T457-C496 WeakPolarHBondContact OG1-CB 3.25Å; T457-C496 PolarHBondContact OG1-O 3.37Å; T494-C496 VanDerWaalsContact C-N 3.32Å; T494-C496 PolarHBondContact O-N 3.29Å; C496-E498 PolarHBondContact O-N 3.3Å; C496-E498 VanDerWaalsContact O-N 3.14Å
497V50.8Low54.8Low23 Ų2371 Ų7114%0.13943%0.431CS..  trans-69.3105175.8-178.50000110.5I495 G499 W512I495-V497 HydrophobicContact CG2-CG2 4.25Å; I495-V497 PolarHBondContact O-N 2.97Å; V497-G499 VanDerWaalsContact C-N 3.33Å; V497-G499 PolarHBondContact O-N 2.86Å; V497-W512 HydrophobicContact CB-CZ2 4.25Å; V497-W512 HydrophobicContact CG1-CZ2 3.67Å; V497-W512 HydrophobicContact CG2-CH2 4.06Å; V497-W512 HydrophobicContact CG2-CZ2 3.58Å
498E42.9Very low54.5Low107 Ų10768.8 Ų68.850%0.542%0.423SS..THydrogen-bonded Turntrans-6787.7167-70.6-167177.400110.2L454 T457 C496L454-E498 WeakPolarHBondContact CB-OE2 3.24Å; T457-E498 HydrophobicContact CG2-CG 3.99Å; C496-E498 PolarHBondContact O-N 3.3Å; C496-E498 VanDerWaalsContact O-N 3.14Å
499G45.1Very low54.9Low61 Ų6168.2 Ų68.263%0.62942%0.419SS*.THydrogen-bonded Turntrans-159.5-46.2-178.200000116.4V497V497-G499 VanDerWaalsContact C-N 3.33Å; V497-G499 PolarHBondContact O-N 2.86Å
500M52.4Low55.4Low18 Ų1861 Ų619%0.08939%0.385CS..  trans-99100.5-172.6-69.7176.1-167.500111.9A504 L509 W512 Y546 G551 I553M500-A504 HydrophobicContact CB-CB 3.89Å; M500-A504 HydrophobicContact CG-CB 4.06Å; M500-L509 HydrophobicContact CE-CB 4.43Å; M500-L509 HydrophobicContact CE-CD1 3.87Å; M500-L509 HydrophobicContact SD-CD1 3.92Å; M500-W512 HydrophobicContact CE-CB 3.25Å; M500-W512 HydrophobicContact CE-CD2 3.94Å; M500-W512 HydrophobicContact CE-CE3 4.28Å; M500-W512 HydrophobicContact CE-CG 3.47Å; M500-W512 VanDerWaalsContact CE-CG 3.47Å; M500-Y546 HydrophobicContact CB-CE2 3.68Å; M500-Y546 HydrophobicContact CG-CE2 4.34Å; M500-Y546 HydrophobicContact SD-CD2 3.99Å; M500-Y546 HydrophobicContact SD-CE2 3.77Å; M500-G551 WeakPolarHBondContact O-CA 3.49Å; M500-I553 HydrophobicContact CE-CD1 3.78Å; M500-I553 HydrophobicContact SD-CD1 3.94Å; M500-I553 HydrophobicContact SD-CG1 4.19Å
501G50.9Low56.1Low54 Ų5459.6 Ų59.656%0.55737%0.371SS*.  trans-59.6158.4170.200000112.3G503 A504 Y546G501-G503 PolarHBondContact O-N 3.2Å; G501-G503 VanDerWaalsContact O-N 3.1Å; G501-A504 PolarHBondContact O-N 2.85Å; G501-A504 VanDerWaalsContact O-N 3.07Å; G501-Y546 PolarHBondContact O-OH 3.08Å
502S58.1Low57.4Low102 Ų10257.8 Ų57.871%0.71336%0.361SS*.THydrogen-bonded Turntrans-57.3116.5179.457.30000111.3S548S502-S548 WeakPolarHBondContact CA-O 3.23Å
503G58.2Low58.8Low67 Ų6748.5 Ų48.569%0.69132%0.318SS*.THydrogen-bonded Turntrans95.622.7-175.100000115.3G501G501-G503 PolarHBondContact O-N 3.2Å; G501-G503 VanDerWaalsContact O-N 3.1Å
504A64.3Low60Low26 Ų2647.8 Ų47.822%0.21531%0.312CS..  trans-56.2144.6163.700000110.9M500 G501 D508 Y546M500-A504 HydrophobicContact CB-CB 3.89Å; M500-A504 HydrophobicContact CG-CB 4.06Å; G501-A504 PolarHBondContact O-N 2.85Å; G501-A504 VanDerWaalsContact O-N 3.07Å; A504-D508 HydrophobicContact CB-CB 4.14Å; A504-Y546 HydrophobicContact CB-CE1 4.3Å; A504-Y546 WeakPolarHBondContact CB-OH 3.47Å
505S68.5Low61.1Low55 Ų5551.4 Ų51.439%0.38532%0.32SS..  trans-88.7167.1-178.669.50000112.5H507 D508 L509S505-H507 PolarHBondContact O-N 2.91Å; S505-H507 PolarHBondContact OG-N 3.03Å; S505-D508 WeakPolarHBondContact CB-OD2 3.5Å; S505-D508 PolarHBondContact N-OD2 2.9Å; S505-D508 PolarHBondContact O-N 3.11Å; S505-D508 VanDerWaalsContact O-N 3.1Å; S505-D508 PolarHBondContact OG-N 3.42Å; S505-D508 PolarHBondContact OG-OD2 3.21Å; S505-L509 PolarHBondContact O-N 3.48Å; S505-L509 VanDerWaalsContact O-N 3.12Å
506T66.8Low62.1Low74 Ų7451.8 Ų51.845%0.45432%0.322SS..Hα-helixtrans-53-37.8170.6-42.20000111.7L509 I510 Y523T506-L509 WeakPolarHBondContact O-CB 3.29Å; T506-L509 PolarHBondContact O-N 3.48Å; T506-I510 HydrophobicContact CG2-CD1 4.16Å; T506-I510 VanDerWaalsContact O-CG1 3.3Å; T506-I510 WeakPolarHBondContact O-CG1 3.45Å; T506-I510 PolarHBondContact O-N 2.7Å; T506-Y523 HydrophobicContact CG2-CE1 4.23Å; T506-Y523 HydrophobicContact CG2-CE2 4.15Å; T506-Y523 WeakPolarHBondContact CG2-OH 3.33Å
507H66Low63.4Low56 Ų5651.8 Ų51.826%0.25933%0.328SS..Hα-helixtrans-65.1-44.2176.1179.960.3000112.8E330 F441 S505 L509 I510 M511E330-H507 VanDerWaalsContact CD-ND1 3.35Å; E330-H507 IonicContact OE1-CE1 3.31Å; E330-H507 IonicContact OE1-ND1 2.64Å; E330-H507 WeakPolarHBondContact OE2-CA 3.38Å; E330-H507 IonicContact OE2-CE1 3.28Å; E330-H507 PolarHBondContact OE2-CE1 3.26Å; E330-H507 IonicContact OE2-CG 3.74Å; E330-H507 IonicContact OE2-ND1 2.75Å; E330-H507 PolarHBondContact OE2-ND1 3.29Å; F441-H507 AromaticContact CD2-CD2 3.86Å; F441-H507 AromaticContact CD2-CE1 3.94Å; F441-H507 AromaticContact CD2-NE2 2.97Å; F441-H507 WeakPolarHBondContact CD2-NE2 3.18Å; F441-H507 AromaticContact CE2-CE1 3.79Å; F441-H507 AromaticContact CE2-NE2 3.14Å; F441-H507 WeakPolarHBondContact CE2-NE2 3.27Å; F441-H507 AromaticContact CG-NE2 3.86Å; S505-H507 PolarHBondContact O-N 2.91Å; S505-H507 PolarHBondContact OG-N 3.03Å; H507-L509 PolarHBondContact O-N 3.37Å; H507-I510 PolarHBondContact O-N 2.84Å; H507-M511 WeakPolarHBondContact CE1-CG 3.46Å; H507-M511 WeakPolarHBondContact O-CB 3.28Å; H507-M511 WeakPolarHBondContact O-CG 3.35Å; H507-M511 PolarHBondContact O-N 3.05Å
508D65Low64.8Low75 Ų7550.7 Ų50.740%0.40132%0.321SS..Hα-helixtrans-61.7-33.1175.9-59.2-69.6000111.5A504 S505 W512A504-D508 HydrophobicContact CB-CB 4.14Å; S505-D508 WeakPolarHBondContact CB-OD2 3.5Å; S505-D508 PolarHBondContact N-OD2 2.9Å; S505-D508 PolarHBondContact O-N 3.11Å; S505-D508 VanDerWaalsContact O-N 3.1Å; S505-D508 PolarHBondContact OG-N 3.42Å; S505-D508 PolarHBondContact OG-OD2 3.21Å; D508-W512 VanDerWaalsContact O-CB 3.3Å; D508-W512 WeakPolarHBondContact O-CB 3.4Å; D508-W512 PolarHBondContact O-N 3.39Å; D508-W512 VanDerWaalsContact O-N 3.12Å
509L70.9Confident66.5Low12 Ų1248.2 Ų48.26%0.06331%0.309CS..Hα-helixtrans-70.1-48.5177.1-176.666.4000112.5M500 S505 T506 H507 W512 C513 I520 F529 I553M500-L509 HydrophobicContact CE-CB 4.43Å; M500-L509 HydrophobicContact CE-CD1 3.87Å; M500-L509 HydrophobicContact SD-CD1 3.92Å; S505-L509 PolarHBondContact O-N 3.48Å; S505-L509 VanDerWaalsContact O-N 3.12Å; T506-L509 WeakPolarHBondContact O-CB 3.29Å; T506-L509 PolarHBondContact O-N 3.48Å; H507-L509 PolarHBondContact O-N 3.37Å; L509-W512 PolarHBondContact O-N 2.92Å; L509-C513 PolarHBondContact O-N 3.25Å; L509-I520 HydrophobicContact CG-CD1 4.43Å; L509-F529 HydrophobicContact CD1-CE1 4.26Å; L509-F529 HydrophobicContact CD1-CZ 3.82Å; L509-F529 HydrophobicContact CD2-CD1 4.14Å; L509-F529 HydrophobicContact CD2-CE1 3.76Å; L509-F529 HydrophobicContact CD2-CZ 3.96Å; L509-F529 HydrophobicContact CG-CE1 4.46Å; L509-F529 HydrophobicContact CG-CZ 4.17Å; L509-I553 HydrophobicContact CD1-CD1 3.78Å; L509-I553 HydrophobicContact CD1-CG1 4.15Å
510I67.6Low68.1Low24 Ų2447 Ų4712%0.12329%0.287CS..Hα-helixtrans-64.2-48.8178.7-60.2160.2000109.9E330 T506 H507 W512 C513 L514 I520 Y523E330-I510 HydrophobicContact CB-CD1 3.88Å; E330-I510 VanDerWaalsContact CD-CG2 3.41Å; E330-I510 HydrophobicContact CG-CG2 4.18Å; E330-I510 WeakPolarHBondContact OE1-CG2 3.46Å; E330-I510 WeakPolarHBondContact OE2-CB 3.4Å; T506-I510 HydrophobicContact CG2-CD1 4.16Å; T506-I510 VanDerWaalsContact O-CG1 3.3Å; T506-I510 WeakPolarHBondContact O-CG1 3.45Å; T506-I510 PolarHBondContact O-N 2.7Å; H507-I510 PolarHBondContact O-N 2.84Å; I510-W512 VanDerWaalsContact C-N 3.28Å; I510-W512 PolarHBondContact O-N 3.44Å; I510-C513 WeakPolarHBondContact O-CB 3.29Å; I510-C513 PolarHBondContact O-N 2.84Å; I510-L514 HydrophobicContact CG2-CD1 4.02Å; I510-L514 HydrophobicContact CG2-CG 4.29Å; I510-L514 WeakPolarHBondContact O-CG 3.26Å; I510-L514 PolarHBondContact O-N 3.1Å; I510-I520 HydrophobicContact CB-CD1 4.48Å; I510-I520 HydrophobicContact CG1-CD1 3.93Å; I510-Y523 WeakPolarHBondContact CD1-OH 3.48Å; I510-Y523 VanDerWaalsContact CG1-OH 3.23Å; I510-Y523 WeakPolarHBondContact CG1-OH 3.38Å
511M67.4Low68.9Low42 Ų4253.8 Ų53.821%0.20731%0.312CS..Hα-helixtrans-59.9-35.8177.9-74.4-62.5-74.300112.8E330 V440 H507 L514 Y515E330-M511 WeakPolarHBondContact OE1-CG 3.41Å; V440-M511 HydrophobicContact CB-CE 4.31Å; V440-M511 WeakPolarHBondContact O-CE 3.22Å; H507-M511 WeakPolarHBondContact CE1-CG 3.46Å; H507-M511 WeakPolarHBondContact O-CB 3.28Å; H507-M511 WeakPolarHBondContact O-CG 3.35Å; H507-M511 PolarHBondContact O-N 3.05Å; M511-L514 HydrophobicContact SD-CD1 4.19Å; M511-Y515 WeakPolarHBondContact O-CB 3.43Å; M511-Y515 PolarHBondContact O-N 3.25Å
512W77.2Confident69.5Low40 Ų4052.7 Ų52.715%0.15230%0.301CS..Hα-helixtrans-67.8-41.2173.3178.687.9000112.6L477 V497 M500 D508 L509 I510 Y515 N516 I518 I553 F555L477-W512 HydrophobicContact CD2-CH2 3.62Å; L477-W512 HydrophobicContact CD2-CZ2 3.66Å; V497-W512 HydrophobicContact CB-CZ2 4.25Å; V497-W512 HydrophobicContact CG1-CZ2 3.67Å; V497-W512 HydrophobicContact CG2-CH2 4.06Å; V497-W512 HydrophobicContact CG2-CZ2 3.58Å; M500-W512 HydrophobicContact CE-CB 3.25Å; M500-W512 HydrophobicContact CE-CD2 3.94Å; M500-W512 HydrophobicContact CE-CE3 4.28Å; M500-W512 HydrophobicContact CE-CG 3.47Å; M500-W512 VanDerWaalsContact CE-CG 3.47Å; D508-W512 VanDerWaalsContact O-CB 3.3Å; D508-W512 WeakPolarHBondContact O-CB 3.4Å; D508-W512 PolarHBondContact O-N 3.39Å; D508-W512 VanDerWaalsContact O-N 3.12Å; L509-W512 PolarHBondContact O-N 2.92Å; I510-W512 VanDerWaalsContact C-N 3.28Å; I510-W512 PolarHBondContact O-N 3.44Å; W512-Y515 PolarHBondContact O-N 2.62Å; W512-N516 VanDerWaalsContact CE2-ND2 3.27Å; W512-N516 PolarHBondContact NE1-ND2 3.3Å; W512-N516 PolarHBondContact O-N 2.84Å; W512-N516 PolarHBondContact O-ND2 3.02Å; W512-I518 HydrophobicContact CH2-CD1 4.35Å; W512-I518 HydrophobicContact CZ3-CD1 4.29Å; W512-I553 HydrophobicContact CD2-CD1 3.92Å; W512-I553 HydrophobicContact CE3-CD1 3.38Å; W512-I553 HydrophobicContact CH2-CD1 3.91Å; W512-I553 HydrophobicContact CZ2-CD1 4.39Å; W512-I553 HydrophobicContact CZ3-CD1 3.38Å; W512-F555 HydrophobicContact CH2-CZ 4.03Å; W512-F555 HydrophobicContact CZ3-CZ 4.25Å
513C73.2Confident69.7Low1 Ų151.9 Ų51.91%0.00728%0.283CS..Hα-helixtrans-59.9-50.6173.8-79.70000110.6L509 I510 Y515 N516 G517 I518 I520L509-C513 PolarHBondContact O-N 3.25Å; I510-C513 WeakPolarHBondContact O-CB 3.29Å; I510-C513 PolarHBondContact O-N 2.84Å; C513-Y515 VanDerWaalsContact C-N 3.33Å; C513-Y515 PolarHBondContact O-N 3.2Å; C513-N516 CarbonylContact O-C 3.59Å; C513-N516 PolarHBondContact O-N 3.43Å; C513-G517 PolarHBondContact O-N 3.12Å; C513-I518 CarbonylContact C-O 3.58Å; C513-I518 HydrophobicContact CB-CB 4.09Å; C513-I518 HydrophobicContact CB-CG2 4.23Å; C513-I518 WeakPolarHBondContact CB-O 3.4Å; C513-I518 WeakPolarHBondContact O-CA 3.45Å; C513-I518 WeakPolarHBondContact O-CB 3.5Å; C513-I518 PolarHBondContact O-N 3.35Å; C513-I520 HydrophobicContact CB-CD1 4.35Å; C513-I520 HydrophobicContact CB-CG1 4.16Å
514L71.1Confident69.6Low43 Ų4351.6 Ų51.623%0.22527%0.274CS..Hα-helixtrans-56.6-44.3179.1-68.8175.2000112.4I510 M511 N516 G517 I518 F519I510-L514 HydrophobicContact CG2-CD1 4.02Å; I510-L514 HydrophobicContact CG2-CG 4.29Å; I510-L514 WeakPolarHBondContact O-CG 3.26Å; I510-L514 PolarHBondContact O-N 3.1Å; M511-L514 HydrophobicContact SD-CD1 4.19Å; L514-N516 PolarHBondContact O-N 3.4Å; L514-G517 PolarHBondContact O-N 3.43Å; L514-I518 PolarHBondContact N-O 3.04Å; L514-F519 HydrophobicContact CD2-CD1 3.95Å; L514-F519 HydrophobicContact CD2-CE1 4.29Å
515Y71.2Confident69.2Low135 Ų13556.6 Ų56.653%0.52930%0.297SS..Hα-helixtrans-56.6-33.9176.2-174-82.3000112.9D438 M511 W512 C513D438-Y515 HydrophobicContact CB-CE2 4.46Å; D438-Y515 WeakPolarHBondContact OD2-CE2 3.37Å; M511-Y515 WeakPolarHBondContact O-CB 3.43Å; M511-Y515 PolarHBondContact O-N 3.25Å; W512-Y515 PolarHBondContact O-N 2.62Å; C513-Y515 VanDerWaalsContact C-N 3.33Å; C513-Y515 PolarHBondContact O-N 3.2Å
516N69.9Low68.5Low41 Ų4162.7 Ų62.722%0.21932%0.319CS..THydrogen-bonded Turntrans-91.64.4179.9-71.3-86.4000113.7L477 V478 W512 C513 L514 I518L477-N516 HydrophobicContact CD2-CB 4.03Å; L477-N516 WeakPolarHBondContact CD2-OD1 3.29Å; V478-N516 WeakPolarHBondContact CG2-O 3.41Å; W512-N516 VanDerWaalsContact CE2-ND2 3.27Å; W512-N516 PolarHBondContact NE1-ND2 3.3Å; W512-N516 PolarHBondContact O-N 2.84Å; W512-N516 PolarHBondContact O-ND2 3.02Å; C513-N516 CarbonylContact O-C 3.59Å; C513-N516 PolarHBondContact O-N 3.43Å; L514-N516 PolarHBondContact O-N 3.4Å; N516-I518 VanDerWaalsContact C-N 3.29Å; N516-I518 HydrophobicContact CB-CD1 3.89Å; N516-I518 HydrophobicContact CB-CG1 4.08Å
517G73.5Confident68.4Low32 Ų3263.3 Ų63.333%0.3332%0.324SS..THydrogen-bonded Turntrans72.222.9-174.700000113.7C513 L514C513-G517 PolarHBondContact O-N 3.12Å; L514-G517 PolarHBondContact O-N 3.43Å
518I80Confident68.6Low0 Ų063 Ų630%033%0.326CS..EExtended strand (participates in β ladder)trans-104.9137.1178.6-56.1171.2000108.1L477 L481 W512 C513 L514 N516 I531 F533L477-I518 HydrophobicContact CD2-CD1 4.01Å; L481-I518 HydrophobicContact CD1-CD1 3.57Å; L481-I518 HydrophobicContact CD1-CG1 4.38Å; W512-I518 HydrophobicContact CH2-CD1 4.35Å; W512-I518 HydrophobicContact CZ3-CD1 4.29Å; C513-I518 CarbonylContact C-O 3.58Å; C513-I518 HydrophobicContact CB-CB 4.09Å; C513-I518 HydrophobicContact CB-CG2 4.23Å; C513-I518 WeakPolarHBondContact CB-O 3.4Å; C513-I518 WeakPolarHBondContact O-CA 3.45Å; C513-I518 WeakPolarHBondContact O-CB 3.5Å; C513-I518 PolarHBondContact O-N 3.35Å; L514-I518 PolarHBondContact N-O 3.04Å; N516-I518 VanDerWaalsContact C-N 3.29Å; N516-I518 HydrophobicContact CB-CD1 3.89Å; N516-I518 HydrophobicContact CB-CG1 4.08Å; I518-I531 HydrophobicContact CG2-CB 3.6Å; I518-I531 HydrophobicContact CG2-CD1 3.74Å; I518-I531 HydrophobicContact CG2-CG1 4.27Å; I518-I531 HydrophobicContact CG2-CG2 3.77Å; I518-F533 HydrophobicContact CG1-CB 4.43Å
519F79.2Confident69.3Low54 Ų5459.5 Ų59.524%0.23731%0.308CS..EExtended strand (participates in β ladder)trans-119.4128.7-175.5-50.9-55.1000110.5R334 L514 R521 I531 E532R334-F519 VanDerWaalsContact CZ-CG 3.4Å; L514-F519 HydrophobicContact CD2-CD1 3.95Å; L514-F519 HydrophobicContact CD2-CE1 4.29Å; F519-R521 PolarHBondContact O-N 2.92Å; F519-I531 CarbonylContact O-C 3.56Å; F519-I531 VanDerWaalsContact O-CA 3.3Å; F519-I531 WeakPolarHBondContact O-CA 3.27Å; F519-E532 WeakPolarHBondContact CB-O 3.09Å; F519-E532 WeakPolarHBondContact CD2-O 3.5Å; F519-E532 PolarHBondContact N-O 3.17Å; F519-E532 PolarHBondContact O-N 3.5Å
520I77.8Confident69.8Low35 Ų3560.8 Ų60.818%0.17932%0.316CS..EExtended strand (participates in β ladder)trans-80.6119.9176.7-61.7-177.6000108.3L509 I510 C513 F529 V530 I531L509-I520 HydrophobicContact CG-CD1 4.43Å; I510-I520 HydrophobicContact CB-CD1 4.48Å; I510-I520 HydrophobicContact CG1-CD1 3.93Å; C513-I520 HydrophobicContact CB-CD1 4.35Å; C513-I520 HydrophobicContact CB-CG1 4.16Å; I520-F529 HydrophobicContact CD1-CD2 3.76Å; I520-F529 HydrophobicContact CD1-CE2 3.93Å; I520-F529 HydrophobicContact CG1-CD2 3.9Å; I520-F529 HydrophobicContact CG1-CE2 4.21Å; I520-F529 HydrophobicContact CG2-CB 4.25Å; I520-F529 HydrophobicContact CG2-CD2 4.26Å; I520-V530 CarbonylContact C-O 3.51Å; I520-V530 WeakPolarHBondContact CA-O 3.16Å; I520-I531 HydrophobicContact CG1-CG2 4.31Å
521R71.1Confident70.5Confident162 Ų16259.7 Ų59.761%0.61131%0.31SS*.EExtended strand (participates in β ladder)trans-85.3-14.1-178.7-143.7-174-142.8-141.210.7112.9F519 V530 E532F519-R521 PolarHBondContact O-N 2.92Å; R521-V530 HydrophobicContact CB-CB 4.14Å; R521-V530 HydrophobicContact CB-CG1 3.94Å; R521-V530 PolarHBondContact N-O 2.96Å; R521-E532 IonicContact CZ-OE1 3.88Å; R521-E532 IonicContact CZ-OE2 3.52Å; R521-E532 VanDerWaalsContact NE-CD 3.3Å; R521-E532 IonicContact NE-OE1 3.43Å; R521-E532 PolarHBondContact NE-OE1 3.49Å; R521-E532 IonicContact NE-OE2 3.51Å; R521-E532 PolarHBondContact NE-OE2 3.47Å; R521-E532 IonicContact NH2-OE1 3.62Å; R521-E532 PolarHBondContact NH2-OE1 3.49Å; R521-E532 IonicContact NH2-OE2 2.7Å; R521-E532 PolarHBondContact NH2-OE2 3.05Å
522G62.9Low71.3Confident31 Ų3159.6 Ų59.632%0.3231%0.309SS..EExtended strand (participates in β ladder)trans153.1156.2177.400000112.1F529 V530G522-F529 WeakPolarHBondContact O-CA 3.23Å; G522-V530 PolarHBondContact O-N 3.44Å
523Y62.5Low71.5Confident85 Ų8557.7 Ų57.733%0.33330%0.302SS..EExtended strand (participates in β ladder)trans-80.3120.7168.3-64-78.4000108.6T506 I510 F529T506-Y523 HydrophobicContact CG2-CE1 4.23Å; T506-Y523 HydrophobicContact CG2-CE2 4.15Å; T506-Y523 WeakPolarHBondContact CG2-OH 3.33Å; I510-Y523 WeakPolarHBondContact CD1-OH 3.48Å; I510-Y523 VanDerWaalsContact CG1-OH 3.23Å; I510-Y523 WeakPolarHBondContact CG1-OH 3.38Å; Y523-F529 HydrophobicContact CD1-CB 3.72Å; Y523-F529 HydrophobicContact CE1-CB 3.93Å; Y523-F529 HydrophobicContact CE1-CG 4.41Å
524A55.1Low71.8Confident60 Ų6061.3 Ų61.350%0.49632%0.324SS..EExtended strand (participates in β ladder)trans-83.4-47.4-174.200000111.4T528 V530A524-T528 PolarHBondContact N-O 3.15Å; A524-V530 HydrophobicContact CB-CG2 4.41Å
525D55.4Low72.2Confident132 Ų13262.2 Ų62.271%0.70633%0.325SS*.EExtended strand (participates in β ladder)trans-164.9124.7172.8-87.8-54.7000105.5T528D525-T528 WeakPolarHBondContact O-CA 3.35Å; D525-T528 WeakPolarHBondContact O-CB 3.13Å; D525-T528 PolarHBondContact O-N 3.49Å; D525-T528 PolarHBondContact O-OG1 2.93Å
526E54.3Low72.5Confident183 Ų18364 Ų6486%0.85534%0.338SS*.THydrogen-bonded Turntrans-54.1133.3178.9-74.8-167.9142.200111.7
527P64.1Low72.7Confident86 Ų8665.4 Ų65.456%0.55836%0.362SS*.THydrogen-bonded Turncis-98.330.28.140.6-37.2000113.8S545 Y546P527-S545 WeakPolarHBondContact O-CA 3.29Å; P527-Y546 PolarHBondContact O-N 2.66Å
528T71.7Confident72.7Confident49 Ų4969.5 Ų69.530%0.30137%0.373SS..EExtended strand (participates in β ladder)trans-106.3142.4-17575.20000113.1A524 D525 A544A524-T528 PolarHBondContact N-O 3.15Å; D525-T528 WeakPolarHBondContact O-CA 3.35Å; D525-T528 WeakPolarHBondContact O-CB 3.13Å; D525-T528 PolarHBondContact O-N 3.49Å; D525-T528 PolarHBondContact O-OG1 2.93Å; T528-A544 CarbonylContact C-O 3.57Å; T528-A544 VanDerWaalsContact CA-O 3.23Å; T528-A544 WeakPolarHBondContact CA-O 3.38Å
529F78.6Confident72.6Confident2 Ų272.7 Ų72.71%0.00940%0.399CS..EExtended strand (participates in β ladder)trans-142.9155.1-176.357.8-78.2000110.4L509 I520 G522 Y523 I531 S543 A544 I553L509-F529 HydrophobicContact CD1-CE1 4.26Å; L509-F529 HydrophobicContact CD1-CZ 3.82Å; L509-F529 HydrophobicContact CD2-CD1 4.14Å; L509-F529 HydrophobicContact CD2-CE1 3.76Å; L509-F529 HydrophobicContact CD2-CZ 3.96Å; L509-F529 HydrophobicContact CG-CE1 4.46Å; L509-F529 HydrophobicContact CG-CZ 4.17Å; I520-F529 HydrophobicContact CD1-CD2 3.76Å; I520-F529 HydrophobicContact CD1-CE2 3.93Å; I520-F529 HydrophobicContact CG1-CD2 3.9Å; I520-F529 HydrophobicContact CG1-CE2 4.21Å; I520-F529 HydrophobicContact CG2-CB 4.25Å; I520-F529 HydrophobicContact CG2-CD2 4.26Å; G522-F529 WeakPolarHBondContact O-CA 3.23Å; Y523-F529 HydrophobicContact CD1-CB 3.72Å; Y523-F529 HydrophobicContact CE1-CB 3.93Å; Y523-F529 HydrophobicContact CE1-CG 4.41Å; F529-I531 HydrophobicContact CD2-CG2 3.67Å; F529-I531 HydrophobicContact CE2-CG2 3.54Å; F529-S543 CarbonylContact O-C 3.48Å; F529-A544 HydrophobicContact CD1-CB 4.25Å; F529-A544 WeakPolarHBondContact CD1-O 3.3Å; F529-A544 HydrophobicContact CD2-CB 4.03Å; F529-A544 HydrophobicContact CE1-CB 3.81Å; F529-A544 HydrophobicContact CE2-CB 3.59Å; F529-A544 HydrophobicContact CG-CB 4.35Å; F529-A544 HydrophobicContact CZ-CB 3.45Å; F529-A544 VanDerWaalsContact CZ-CB 3.45Å; F529-A544 PolarHBondContact N-O 2.99Å; F529-A544 PolarHBondContact O-N 2.87Å; F529-I553 HydrophobicContact CZ-CG2 4.12Å
530V81.5Confident72.7Confident40 Ų4071.5 Ų71.524%0.24239%0.393CS..EExtended strand (participates in β ladder)trans-97133.4176.4179.50000108.9I520 R521 G522 A524 T541I520-V530 CarbonylContact C-O 3.51Å; I520-V530 WeakPolarHBondContact CA-O 3.16Å; R521-V530 HydrophobicContact CB-CB 4.14Å; R521-V530 HydrophobicContact CB-CG1 3.94Å; R521-V530 PolarHBondContact N-O 2.96Å; G522-V530 PolarHBondContact O-N 3.44Å; A524-V530 HydrophobicContact CB-CG2 4.41Å; V530-T541 HydrophobicContact CG1-CG2 3.6Å
531I82.5Confident73Confident0 Ų072.4 Ų72.40%040%0.401CS..EExtended strand (participates in β ladder)trans-113.1146.7173.661.6158.6000112L481 I518 F519 I520 F529 F533 T541 L542 A544 F555L481-I531 HydrophobicContact CD1-CD1 4.48Å; I518-I531 HydrophobicContact CG2-CB 3.6Å; I518-I531 HydrophobicContact CG2-CD1 3.74Å; I518-I531 HydrophobicContact CG2-CG1 4.27Å; I518-I531 HydrophobicContact CG2-CG2 3.77Å; F519-I531 CarbonylContact O-C 3.56Å; F519-I531 VanDerWaalsContact O-CA 3.3Å; F519-I531 WeakPolarHBondContact O-CA 3.27Å; I520-I531 HydrophobicContact CG1-CG2 4.31Å; F529-I531 HydrophobicContact CD2-CG2 3.67Å; F529-I531 HydrophobicContact CE2-CG2 3.54Å; I531-F533 HydrophobicContact CD1-CD1 4.18Å; I531-F533 HydrophobicContact CD1-CE1 4.23Å; I531-T541 VanDerWaalsContact O-CA 3.3Å; I531-T541 WeakPolarHBondContact O-CA 3.39Å; I531-L542 HydrophobicContact CD1-CB 4.09Å; I531-L542 HydrophobicContact CD1-CD1 4.5Å; I531-L542 HydrophobicContact CG1-CB 3.82Å; I531-L542 WeakPolarHBondContact CG1-O 3.43Å; I531-L542 PolarHBondContact N-O 2.92Å; I531-L542 PolarHBondContact O-N 3.46Å; I531-A544 HydrophobicContact CG2-CB 4.36Å; I531-F555 HydrophobicContact CD1-CD1 3.74Å; I531-F555 HydrophobicContact CD1-CE1 3.74Å
532E83.9Confident73.5Confident40 Ų4064.7 Ų64.719%0.18737%0.372CS..EExtended strand (participates in β ladder)trans-131.8132.4176.9-177.4169.3-146.800109.2F519 R521 Y540F519-E532 WeakPolarHBondContact CB-O 3.09Å; F519-E532 WeakPolarHBondContact CD2-O 3.5Å; F519-E532 PolarHBondContact N-O 3.17Å; F519-E532 PolarHBondContact O-N 3.5Å; R521-E532 IonicContact CZ-OE1 3.88Å; R521-E532 IonicContact CZ-OE2 3.52Å; R521-E532 VanDerWaalsContact NE-CD 3.3Å; R521-E532 IonicContact NE-OE1 3.43Å; R521-E532 PolarHBondContact NE-OE1 3.49Å; R521-E532 IonicContact NE-OE2 3.51Å; R521-E532 PolarHBondContact NE-OE2 3.47Å; R521-E532 IonicContact NH2-OE1 3.62Å; R521-E532 PolarHBondContact NH2-OE1 3.49Å; R521-E532 IonicContact NH2-OE2 2.7Å; R521-E532 PolarHBondContact NH2-OE2 3.05Å; E532-Y540 VanDerWaalsContact CA-O 3.3Å; E532-Y540 WeakPolarHBondContact CA-O 3.17Å
533F81.3Confident74.5Confident0 Ų064.5 Ų64.50%037%0.366CS..EExtended strand (participates in β ladder)trans-147.7157.4-178.659.1-88000111.1V478 L481 A482 I518 I531 Y540 L542V478-F533 HydrophobicContact CG1-CB 4.42Å; V478-F533 HydrophobicContact CG1-CD2 3.57Å; V478-F533 HydrophobicContact CG1-CE2 4.26Å; V478-F533 HydrophobicContact CG1-CG 4.35Å; L481-F533 HydrophobicContact CB-CE1 4.01Å; L481-F533 HydrophobicContact CB-CE2 3.91Å; L481-F533 HydrophobicContact CB-CZ 3.5Å; L481-F533 VanDerWaalsContact CB-CZ 3.5Å; A482-F533 HydrophobicContact CB-CE2 4.09Å; I518-F533 HydrophobicContact CG1-CB 4.43Å; I531-F533 HydrophobicContact CD1-CD1 4.18Å; I531-F533 HydrophobicContact CD1-CE1 4.23Å; F533-Y540 VanDerWaalsContact CE2-CB 3.42Å; F533-Y540 HydrophobicContact CE2-CD2 4.12Å; F533-Y540 AromaticContact CE2-CG 3.91Å; F533-Y540 HydrophobicContact CE2-CG 3.91Å; F533-Y540 HydrophobicContact CZ-CG 4.17Å; F533-Y540 PolarHBondContact N-O 3.49Å; F533-Y540 PolarHBondContact O-N 2.98Å; F533-L542 HydrophobicContact CE1-CD1 3.85Å; F533-L542 HydrophobicContact CE1-CG 4.08Å; F533-L542 HydrophobicContact CZ-CD1 4.11Å
534V79.3Confident75.4Confident77 Ų7760.5 Ų60.547%0.46735%0.35SS..EExtended strand (participates in β ladder)trans-112.6123.9-177.8179.70000110.3E538V534-E538 CarbonylContact C-O 3.47Å; V534-E538 WeakPolarHBondContact CA-O 3.33Å
535Y80.3Confident76.6Confident63 Ų6358.3 Ų58.325%0.24733%0.331CS..EExtended strand (participates in β ladder)trans-128.4130.1175.5-170.5-120.7000110.7V478 A479 A482 G537 E538V478-Y535 HydrophobicContact CG1-CD2 4.19Å; A479-Y535 HydrophobicContact CB-CE1 4.19Å; A479-Y535 HydrophobicContact CB-CE2 3.69Å; A479-Y535 VanDerWaalsContact CB-CZ 3.49Å; A479-Y535 WeakPolarHBondContact CB-OH 3.33Å; A482-Y535 HydrophobicContact CB-CD1 3.31Å; A482-Y535 HydrophobicContact CB-CE1 4.07Å; A482-Y535 HydrophobicContact CB-CG 3.75Å; Y535-G537 PolarHBondContact O-N 2.86Å; Y535-E538 PolarHBondContact N-O 3.43Å; Y535-E538 PolarHBondContact O-N 2.84Å
536Q77.7Confident77.6Confident172 Ų17253.3 Ų53.380%0.80430%0.302SS*.THydrogen-bonded Turntrans51.913.1-177.7-56.5-16917.500116.6
537G73.6Confident78.5Confident70 Ų7047.1 Ų47.172%0.72228%0.275SS*.THydrogen-bonded Turntrans104.4-1.9-178.200000114.6Y535Y535-G537 PolarHBondContact O-N 2.86Å
538E73.2Confident78.8Confident118 Ų11846.1 Ų46.155%0.55127%0.27SS*.EExtended strand (participates in β ladder)trans-101.8144.8172.2-66.9177.6155.700110.5V534 Y535 Y540V534-E538 CarbonylContact C-O 3.47Å; V534-E538 WeakPolarHBondContact CA-O 3.33Å; Y535-E538 PolarHBondContact N-O 3.43Å; Y535-E538 PolarHBondContact O-N 2.84Å; E538-Y540 HydrophobicContact CB-CD2 4.42Å; E538-Y540 HydrophobicContact CB-CE2 3.66Å; E538-Y540 WeakPolarHBondContact O-CD2 3.23Å; E538-Y540 PolarHBondContact OE2-OH 3.5Å
539A79Confident78.5Confident68 Ų6852.2 Ų52.256%0.56230%0.295SS*.EExtended strand (participates in β ladder)trans-94130.6175.300000110.3
540Y81.1Confident78.1Confident28 Ų2855.3 Ų55.311%0.1132%0.317CS..EExtended strand (participates in β ladder)trans-117.8141.8-177.9-71-84.9000109.8A482 A485 N486 E532 F533 E538A482-Y540 HydrophobicContact CB-CD2 4.26Å; A482-Y540 HydrophobicContact CB-CE2 4.15Å; A485-Y540 HydrophobicContact CB-CD1 3.63Å; A485-Y540 HydrophobicContact CB-CE1 4.34Å; A485-Y540 HydrophobicContact CB-CG 4.41Å; N486-Y540 WeakPolarHBondContact ND2-CE1 3.49Å; N486-Y540 PolarHBondContact ND2-OH 3.27Å; E532-Y540 VanDerWaalsContact CA-O 3.3Å; E532-Y540 WeakPolarHBondContact CA-O 3.17Å; F533-Y540 VanDerWaalsContact CE2-CB 3.42Å; F533-Y540 HydrophobicContact CE2-CD2 4.12Å; F533-Y540 AromaticContact CE2-CG 3.91Å; F533-Y540 HydrophobicContact CE2-CG 3.91Å; F533-Y540 HydrophobicContact CZ-CG 4.17Å; F533-Y540 PolarHBondContact N-O 3.49Å; F533-Y540 PolarHBondContact O-N 2.98Å; E538-Y540 HydrophobicContact CB-CD2 4.42Å; E538-Y540 HydrophobicContact CB-CE2 3.66Å; E538-Y540 WeakPolarHBondContact O-CD2 3.23Å; E538-Y540 PolarHBondContact OE2-OH 3.5Å
541T83.2Confident77.4Confident55 Ų5553.8 Ų53.834%0.33731%0.309SS..EExtended strand (participates in β ladder)trans-124.7132.4177.4-56.10000110V530 I531 V558V530-T541 HydrophobicContact CG1-CG2 3.6Å; I531-T541 VanDerWaalsContact O-CA 3.3Å; I531-T541 WeakPolarHBondContact O-CA 3.39Å; T541-V558 HydrophobicContact CG2-CG2 4.21Å; T541-V558 WeakPolarHBondContact O-CG2 3.19Å
542L83.2Confident76.8Confident0 Ų055.1 Ų55.10%032%0.318CS..EExtended strand (participates in β ladder)trans-132.9155.9173.2-66.6173.9000109.3L481 F484 A485 I531 F533L481-L542 HydrophobicContact CB-CD1 4.24Å; L481-L542 HydrophobicContact CD2-CD1 3.98Å; F484-L542 HydrophobicContact CD1-CD1 3.93Å; F484-L542 HydrophobicContact CD1-CD2 3.97Å; F484-L542 HydrophobicContact CE1-CD1 4.42Å; F484-L542 HydrophobicContact CE1-CD2 4.04Å; A485-L542 HydrophobicContact CB-CD2 3.96Å; A485-L542 HydrophobicContact CB-CG 4.36Å; I531-L542 HydrophobicContact CD1-CB 4.09Å; I531-L542 HydrophobicContact CD1-CD1 4.5Å; I531-L542 HydrophobicContact CG1-CB 3.82Å; I531-L542 WeakPolarHBondContact CG1-O 3.43Å; I531-L542 PolarHBondContact N-O 2.92Å; I531-L542 PolarHBondContact O-N 3.46Å; F533-L542 HydrophobicContact CE1-CD1 3.85Å; F533-L542 HydrophobicContact CE1-CG 4.08Å; F533-L542 HydrophobicContact CZ-CD1 4.11Å
543S82Confident76.4Confident27 Ų2753.5 Ų53.519%0.18931%0.31CS..EExtended strand (participates in β ladder)trans-89.7154.1161.533.90000109.8F529 Y556F529-S543 CarbonylContact O-C 3.48Å; S543-Y556 PolarHBondContact N-O 3.49Å; S543-Y556 PolarHBondContact O-N 3.48Å; S543-Y556 WeakPolarHBondContact OG-CB 3.31Å; S543-Y556 PolarHBondContact OG-O 3.1Å
544A82.6Confident76.3Confident1 Ų154.5 Ų54.51%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-141.6156.9-178.900000111.1T528 F529 I531 I553 N554 F555T528-A544 CarbonylContact C-O 3.57Å; T528-A544 VanDerWaalsContact CA-O 3.23Å; T528-A544 WeakPolarHBondContact CA-O 3.38Å; F529-A544 HydrophobicContact CD1-CB 4.25Å; F529-A544 WeakPolarHBondContact CD1-O 3.3Å; F529-A544 HydrophobicContact CD2-CB 4.03Å; F529-A544 HydrophobicContact CE1-CB 3.81Å; F529-A544 HydrophobicContact CE2-CB 3.59Å; F529-A544 HydrophobicContact CG-CB 4.35Å; F529-A544 HydrophobicContact CZ-CB 3.45Å; F529-A544 VanDerWaalsContact CZ-CB 3.45Å; F529-A544 PolarHBondContact N-O 2.99Å; F529-A544 PolarHBondContact O-N 2.87Å; I531-A544 HydrophobicContact CG2-CB 4.36Å; A544-I553 HydrophobicContact CB-CG2 4.37Å; A544-N554 CarbonylContact C-O 3.52Å; A544-N554 WeakPolarHBondContact CA-O 3.45Å; A544-F555 HydrophobicContact CB-CD1 3.9Å; A544-F555 HydrophobicContact CB-CE1 4.16Å
545S79.4Confident76.3Confident13 Ų1350.9 Ų50.99%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-142.214017281.10000111.8P527 I553 N554 Y556P527-S545 WeakPolarHBondContact O-CA 3.29Å; S545-I553 WeakPolarHBondContact O-CA 3.35Å; S545-N554 PolarHBondContact N-O 3.26Å; S545-N554 PolarHBondContact O-N 3.26Å; S545-N554 PolarHBondContact O-ND2 3.37Å; S545-Y556 WeakPolarHBondContact OG-CE2 3.24Å; S545-Y556 PolarHBondContact OG-OH 2.72Å
546Y76.9Confident76.3Confident27 Ų2750.8 Ų50.811%0.10629%0.293CS..EExtended strand (participates in β ladder)trans-101.5121.4177.4175.2-117.7000110.7M500 G501 A504 P527 T552 I553M500-Y546 HydrophobicContact CB-CE2 3.68Å; M500-Y546 HydrophobicContact CG-CE2 4.34Å; M500-Y546 HydrophobicContact SD-CD2 3.99Å; M500-Y546 HydrophobicContact SD-CE2 3.77Å; G501-Y546 PolarHBondContact O-OH 3.08Å; A504-Y546 HydrophobicContact CB-CE1 4.3Å; A504-Y546 WeakPolarHBondContact CB-OH 3.47Å; P527-Y546 PolarHBondContact O-N 2.66Å; Y546-T552 WeakPolarHBondContact CD2-O 3.28Å; Y546-I553 HydrophobicContact CD2-CG1 4.09Å
547D74.2Confident76.3Confident54 Ų5443.8 Ų43.829%0.28926%0.26SS..EExtended strand (participates in β ladder)trans-94103.1170.8173.228.5000110.7Q549 S550 G551 T552D547-Q549 PolarHBondContact O-N 2.98Å; D547-Q549 VanDerWaalsContact O-N 3.14Å; D547-Q549 WeakPolarHBondContact OD1-CB 3.34Å; D547-Q549 PolarHBondContact OD1-N 2.89Å; D547-S550 VanDerWaalsContact CG-OG 3.3Å; D547-S550 PolarHBondContact O-N 2.98Å; D547-S550 WeakPolarHBondContact OD2-CB 3.26Å; D547-S550 PolarHBondContact OD2-N 2.99Å; D547-S550 VanDerWaalsContact OD2-N 3.14Å; D547-S550 PolarHBondContact OD2-OG 2.93Å; D547-G551 WeakPolarHBondContact O-CA 3.32Å; D547-G551 PolarHBondContact O-N 2.9Å; D547-T552 PolarHBondContact N-O 2.86Å; D547-T552 PolarHBondContact O-N 2.67Å
548S68.5Low76.1Confident65 Ų6544.2 Ų44.246%0.45525%0.249SC..THydrogen-bonded Turntrans-65.1-10.7177.959.30000114.9S502S502-S548 WeakPolarHBondContact CA-O 3.23Å
549Q67.3Low75.9Confident176 Ų17646.8 Ų46.882%0.82226%0.261SS*.THydrogen-bonded Turntrans-85.4-40.7175.4-58.9-174.542.600112.6D547D547-Q549 PolarHBondContact O-N 2.98Å; D547-Q549 VanDerWaalsContact O-N 3.14Å; D547-Q549 WeakPolarHBondContact OD1-CB 3.34Å; D547-Q549 PolarHBondContact OD1-N 2.89Å
550S68.3Low75.4Confident68 Ų6846.6 Ų46.648%0.47625%0.253SS..THydrogen-bonded Turntrans-94.4-20.217860.40000114.2D547 T552D547-S550 VanDerWaalsContact CG-OG 3.3Å; D547-S550 PolarHBondContact O-N 2.98Å; D547-S550 WeakPolarHBondContact OD2-CB 3.26Å; D547-S550 PolarHBondContact OD2-N 2.99Å; D547-S550 VanDerWaalsContact OD2-N 3.14Å; D547-S550 PolarHBondContact OD2-OG 2.93Å; S550-T552 VanDerWaalsContact C-N 3.32Å; S550-T552 PolarHBondContact OG-N 3.37Å; S550-T552 PolarHBondContact OG-OG1 3.16Å
551G67.9Low74.6Confident7 Ų750.8 Ų50.87%0.07228%0.277CS..THydrogen-bonded Turntrans8012.3-171.600000113.9M500 D547M500-G551 WeakPolarHBondContact O-CA 3.49Å; D547-G551 WeakPolarHBondContact O-CA 3.32Å; D547-G551 PolarHBondContact O-N 2.9Å
552T69.9Low73.9Confident29 Ų2951.3 Ų51.318%0.17828%0.276CS..EExtended strand (participates in β ladder)trans-94.1143.9-174.560.70000113Y546 D547 S550 N554Y546-T552 WeakPolarHBondContact CD2-O 3.28Å; D547-T552 PolarHBondContact N-O 2.86Å; D547-T552 PolarHBondContact O-N 2.67Å; S550-T552 VanDerWaalsContact C-N 3.32Å; S550-T552 PolarHBondContact OG-N 3.37Å; S550-T552 PolarHBondContact OG-OG1 3.16Å; T552-N554 PolarHBondContact OG1-ND2 3.37Å
553I75.2Confident73.3Confident5 Ų555.4 Ų55.43%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-99.3128.3163.3-55.6170.5000107.4M500 L509 W512 F529 A544 S545 Y546 F555M500-I553 HydrophobicContact CE-CD1 3.78Å; M500-I553 HydrophobicContact SD-CD1 3.94Å; M500-I553 HydrophobicContact SD-CG1 4.19Å; L509-I553 HydrophobicContact CD1-CD1 3.78Å; L509-I553 HydrophobicContact CD1-CG1 4.15Å; W512-I553 HydrophobicContact CD2-CD1 3.92Å; W512-I553 HydrophobicContact CE3-CD1 3.38Å; W512-I553 HydrophobicContact CH2-CD1 3.91Å; W512-I553 HydrophobicContact CZ2-CD1 4.39Å; W512-I553 HydrophobicContact CZ3-CD1 3.38Å; F529-I553 HydrophobicContact CZ-CG2 4.12Å; A544-I553 HydrophobicContact CB-CG2 4.37Å; S545-I553 WeakPolarHBondContact O-CA 3.35Å; Y546-I553 HydrophobicContact CD2-CG1 4.09Å; I553-F555 HydrophobicContact CB-CE2 4.37Å; I553-F555 HydrophobicContact CB-CZ 4.16Å; I553-F555 HydrophobicContact CG2-CD1 4.43Å; I553-F555 HydrophobicContact CG2-CE1 3.74Å; I553-F555 HydrophobicContact CG2-CE2 3.99Å; I553-F555 HydrophobicContact CG2-CZ 3.48Å; I553-F555 VanDerWaalsContact CG2-CZ 3.48Å
554N78.5Confident72.4Confident22 Ų2254.7 Ų54.712%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-108.7131.9-178.4-60.3-88.9000107.6A544 S545 T552 Y556 K563A544-N554 CarbonylContact C-O 3.52Å; A544-N554 WeakPolarHBondContact CA-O 3.45Å; S545-N554 PolarHBondContact N-O 3.26Å; S545-N554 PolarHBondContact O-N 3.26Å; S545-N554 PolarHBondContact O-ND2 3.37Å; T552-N554 PolarHBondContact OG1-ND2 3.37Å; N554-Y556 HydrophobicContact CB-CE2 3.76Å; N554-Y556 WeakPolarHBondContact O-CE2 3.26Å; N554-K563 WeakPolarHBondContact OD1-CE 3.34Å; N554-K563 PolarHBondContact OD1-NZ 3.2Å
555F81.2Confident71.8Confident1 Ų157.4 Ų57.40%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-108.2149179.6-57.2-82000110.9L481 F484 W512 I531 A544 I553 K563 L564L481-F555 HydrophobicContact CD2-CB 4.25Å; L481-F555 HydrophobicContact CD2-CD1 3.97Å; L481-F555 HydrophobicContact CD2-CD2 3.8Å; L481-F555 HydrophobicContact CD2-CE1 4.29Å; L481-F555 HydrophobicContact CD2-CE2 4.12Å; L481-F555 HydrophobicContact CD2-CG 3.72Å; L481-F555 HydrophobicContact CD2-CZ 4.36Å; F484-F555 HydrophobicContact CE1-CB 4.42Å; W512-F555 HydrophobicContact CH2-CZ 4.03Å; W512-F555 HydrophobicContact CZ3-CZ 4.25Å; I531-F555 HydrophobicContact CD1-CD1 3.74Å; I531-F555 HydrophobicContact CD1-CE1 3.74Å; A544-F555 HydrophobicContact CB-CD1 3.9Å; A544-F555 HydrophobicContact CB-CE1 4.16Å; I553-F555 HydrophobicContact CB-CE2 4.37Å; I553-F555 HydrophobicContact CB-CZ 4.16Å; I553-F555 HydrophobicContact CG2-CD1 4.43Å; I553-F555 HydrophobicContact CG2-CE1 3.74Å; I553-F555 HydrophobicContact CG2-CE2 3.99Å; I553-F555 HydrophobicContact CG2-CZ 3.48Å; I553-F555 VanDerWaalsContact CG2-CZ 3.48Å; F555-K563 WeakPolarHBondContact O-CA 3.49Å; F555-L564 HydrophobicContact CB-CB 4.07Å; F555-L564 HydrophobicContact CB-CD2 4.26Å; F555-L564 HydrophobicContact CD2-CD2 4.27Å; F555-L564 PolarHBondContact N-O 2.65Å; F555-L564 PolarHBondContact O-N 2.74Å
556Y80.4Confident71.5Confident61 Ų6159.7 Ų59.724%0.23931%0.312CS..EExtended strand (participates in β ladder)trans-138.1136.1-173.4-55.3-101.5000110.3S543 S545 N554 V558 Q562 K563S543-Y556 PolarHBondContact N-O 3.49Å; S543-Y556 PolarHBondContact O-N 3.48Å; S543-Y556 WeakPolarHBondContact OG-CB 3.31Å; S543-Y556 PolarHBondContact OG-O 3.1Å; S545-Y556 WeakPolarHBondContact OG-CE2 3.24Å; S545-Y556 PolarHBondContact OG-OH 2.72Å; N554-Y556 HydrophobicContact CB-CE2 3.76Å; N554-Y556 WeakPolarHBondContact O-CE2 3.26Å; Y556-V558 PolarHBondContact O-N 3.09Å; Y556-Q562 VanDerWaalsContact CA-O 3.27Å; Y556-Q562 WeakPolarHBondContact CA-O 3.37Å; Y556-K563 HydrophobicContact CD1-CB 3.9Å; Y556-K563 HydrophobicContact CD1-CG 3.87Å; Y556-K563 HydrophobicContact CE1-CB 3.92Å; Y556-K563 HydrophobicContact CE1-CG 3.5Å; Y556-K563 VanDerWaalsContact CE1-CG 3.5Å
557H77.8Confident71.1Confident25 Ų2561.5 Ų61.512%0.11632%0.324CS..  trans-78.4121.1175.3-177.8-82.3000110.3F484 A485 P488 E559 T560 N561 Q562F484-H557 HydrophobicContact CE1-CB 4.26Å; F484-H557 HydrophobicContact CZ-CB 4.19Å; A485-H557 PolarHBondContact O-NE2 2.81Å; P488-H557 HydrophobicContact CB-CB 3.85Å; P488-H557 HydrophobicContact CG-CB 4.33Å; H557-E559 VanDerWaalsContact C-N 3.26Å; H557-E559 PolarHBondContact ND1-N 2.92Å; H557-E559 PolarHBondContact O-N 3.31Å; H557-E559 VanDerWaalsContact O-N 3.11Å; H557-T560 WeakPolarHBondContact CB-OG1 3.48Å; H557-T560 PolarHBondContact ND1-OG1 3.4Å; H557-T560 PolarHBondContact O-N 3.39Å; H557-T560 VanDerWaalsContact O-N 3.1Å; H557-N561 PolarHBondContact O-N 3.42Å; H557-Q562 PolarHBondContact N-O 3.04Å
558V69.1Low71Confident78 Ų7861.9 Ų61.947%0.47333%0.326SS..THydrogen-bonded Turntrans-53.2-39.6-167.1-175.40000113.2T541 Y556T541-V558 HydrophobicContact CG2-CG2 4.21Å; T541-V558 WeakPolarHBondContact O-CG2 3.19Å; Y556-V558 PolarHBondContact O-N 3.09Å
559E68.4Low71.1Confident172 Ų17261.8 Ų61.880%0.80432%0.318SS*.THydrogen-bonded Turntrans-84.4-27.4-177-54.1-167.8140.400114.5H557H557-E559 VanDerWaalsContact C-N 3.26Å; H557-E559 PolarHBondContact ND1-N 2.92Å; H557-E559 PolarHBondContact O-N 3.31Å; H557-E559 VanDerWaalsContact O-N 3.11Å
560T67.5Low71.4Confident64 Ų6454.1 Ų54.139%0.39328%0.284SS..THydrogen-bonded Turntrans-111.1-17.4-168.765.10000113.3H557 Q562H557-T560 WeakPolarHBondContact CB-OG1 3.48Å; H557-T560 PolarHBondContact ND1-OG1 3.4Å; H557-T560 PolarHBondContact O-N 3.39Å; H557-T560 VanDerWaalsContact O-N 3.1Å; T560-Q562 PolarHBondContact O-N 3.34Å; T560-Q562 VanDerWaalsContact O-N 3.09Å; T560-Q562 WeakPolarHBondContact OG1-CB 3.46Å; T560-Q562 PolarHBondContact OG1-N 2.9Å; T560-Q562 PolarHBondContact OG1-OE1 3.05Å
561N66Low71.6Confident116 Ų11653.1 Ų53.162%0.6227%0.27SS*.  trans51.920.5-168.5-67.5-80.1000113.9H557H557-N561 PolarHBondContact O-N 3.42Å
562Q67.6Low71.9Confident66 Ų6656.7 Ų56.731%0.30829%0.286SS..  trans-64.9144.2165.4-74.6162.8-42.400108.8P488 Y556 H557 T560P488-Q562 HydrophobicContact CB-CB 4.32Å; Y556-Q562 VanDerWaalsContact CA-O 3.27Å; Y556-Q562 WeakPolarHBondContact CA-O 3.37Å; H557-Q562 PolarHBondContact N-O 3.04Å; T560-Q562 PolarHBondContact O-N 3.34Å; T560-Q562 VanDerWaalsContact O-N 3.09Å; T560-Q562 WeakPolarHBondContact OG1-CB 3.46Å; T560-Q562 PolarHBondContact OG1-N 2.9Å; T560-Q562 PolarHBondContact OG1-OE1 3.05Å
563K70.8Confident72Confident87 Ų8759 Ų5938%0.37830%0.295SS..BIsolated β-bridgetrans-118.9133.6-166-173-102.7173.2-145.20110.8N554 F555 Y556N554-K563 WeakPolarHBondContact OD1-CE 3.34Å; N554-K563 PolarHBondContact OD1-NZ 3.2Å; F555-K563 WeakPolarHBondContact O-CA 3.49Å; Y556-K563 HydrophobicContact CD1-CB 3.9Å; Y556-K563 HydrophobicContact CD1-CG 3.87Å; Y556-K563 HydrophobicContact CE1-CB 3.92Å; Y556-K563 HydrophobicContact CE1-CG 3.5Å; Y556-K563 VanDerWaalsContact CE1-CG 3.5Å
564L62.2Low71.8Confident11 Ų1163.9 Ų63.96%0.05832%0.319CS..  trans-91.20167.2-158.564.9000108.4L481 F484 T493 T494 I495 F555L481-L564 HydrophobicContact CD2-CD2 4.17Å; F484-L564 HydrophobicContact CB-CD2 4.24Å; F484-L564 HydrophobicContact CD1-CB 4.42Å; F484-L564 HydrophobicContact CD1-CD2 4.1Å; F484-L564 HydrophobicContact CD2-CB 4.36Å; F484-L564 HydrophobicContact CD2-CD1 3.8Å; F484-L564 HydrophobicContact CD2-CD2 4.43Å; F484-L564 HydrophobicContact CD2-CG 4.44Å; F484-L564 HydrophobicContact CE1-CB 4.12Å; F484-L564 HydrophobicContact CE2-CB 4.05Å; F484-L564 HydrophobicContact CE2-CD1 4.14Å; F484-L564 HydrophobicContact CG-CD1 4.18Å; F484-L564 HydrophobicContact CG-CD2 4.01Å; F484-L564 HydrophobicContact CG-CG 4.49Å; F484-L564 HydrophobicContact CZ-CB 3.92Å; T493-L564 WeakPolarHBondContact O-CD1 3.13Å; T493-L564 VanDerWaalsContact O-CG 3.31Å; T493-L564 WeakPolarHBondContact O-CG 3.48Å; T494-L564 WeakPolarHBondContact CG2-OXT 3.44Å; I495-L564 HydrophobicContact CD1-CD2 3.71Å; I495-L564 HydrophobicContact CG1-CD2 3.99Å; I495-L564 HydrophobicContact CG1-CG 4.31Å; F555-L564 HydrophobicContact CB-CB 4.07Å; F555-L564 HydrophobicContact CB-CD2 4.26Å; F555-L564 HydrophobicContact CD2-CD2 4.27Å; F555-L564 PolarHBondContact N-O 2.65Å; F555-L564 PolarHBondContact O-N 2.74Å

Retrieved 564 of 564 residues in 1614.8 ms (Link to these results)

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