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Cleavage and polyadenylation specificity factor subunit 4

Component of the cleavage and polyadenylation specificity factor (CPSF) complex that play a key role in pre-mRNA 3'-end formation, recognizing the AAUAAA signal sequence and interacting with poly(A) polymerase and other factors to bring about cleavage and poly(A) addition. CPSF4 binds RNA polymers with a preference for poly(U).

AlphaFold DB (Q8BQZ5), UniProt , Accession A0A096MJP3, Species RAT (Rattus norvegicus, Rat), Gene Cpsf4, Length 211 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
1M63.4Low84.3Confident193 Ų193125.9 Ų125.995%0.95166%0.658SS**  0-41.40-162.6174-79.400111.6I4 I5M1-I4 PolarHBondContact O-N 3.45Å; M1-I5 HydrophobicContact CG-CD1 4.23Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å
2Q74.2Confident85Confident168 Ų168124 Ų12479%0.78564%0.641SS**Hα-helixtrans-67-34.1178.6-69.8161.9-4.600113.9I4 I5 A6Q2-I4 PolarHBondContact O-N 2.94Å; Q2-I5 PolarHBondContact O-N 3.22Å; Q2-I5 VanDerWaalsContact O-N 3.1Å; Q2-A6 PolarHBondContact O-N 3.36Å
3E81.4Confident85.9Confident166 Ų166122.2 Ų122.278%0.77663%0.625SS**Hα-helixtrans-61.4-27.7178.1-66.7174.8-179.100113.8S7E3-S7 WeakPolarHBondContact O-CA 3.48Å; E3-S7 WeakPolarHBondContact O-CB 3.36Å; E3-S7 PolarHBondContact O-N 3.1Å
4I82.1Confident86.5Confident159 Ų159122.9 Ų122.982%0.81563%0.631SS**Hα-helixtrans-81.9-33177.1-56.3173.5000110.9M1 Q2M1-I4 PolarHBondContact O-N 3.45Å; Q2-I4 PolarHBondContact O-N 2.94Å
5I85.4Confident87Confident136 Ų136123.5 Ų123.570%0.69764%0.635SS**Hα-helixtrans-78.2-36.5-177-61168.5000110.7M1 Q2M1-I5 HydrophobicContact CG-CD1 4.23Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; Q2-I5 PolarHBondContact O-N 3.22Å; Q2-I5 VanDerWaalsContact O-N 3.1Å
6A86.5Confident87.4Confident70 Ų70120.7 Ų120.758%0.57962%0.618SS**SBendtrans-144.264.8-175.600000111.1Q2 V8Q2-A6 PolarHBondContact O-N 3.36Å; A6-V8 PolarHBondContact O-N 3.24Å
7S89.1Confident87.8Confident48 Ų48116.5 Ų116.534%0.33660%0.597SS.*  trans-65.2125.8170.2167.70000109.4E3 D9 H10E3-S7 WeakPolarHBondContact O-CA 3.48Å; E3-S7 WeakPolarHBondContact O-CB 3.36Å; E3-S7 PolarHBondContact O-N 3.1Å; S7-D9 PolarHBondContact OG-N 3.08Å; S7-D9 PolarHBondContact OG-OD2 3.36Å; S7-H10 PolarHBondContact O-CE1 3.44Å; S7-H10 PolarHBondContact O-ND1 2.74Å
8V90.2Very high88.2Confident72 Ų72112 Ų11244%0.43658%0.58SS.*  trans-105.57.2176.2-65.10000112A6 H10 I11 F13A6-V8 PolarHBondContact O-N 3.24Å; V8-H10 PolarHBondContact O-N 3.48Å; V8-I11 HydrophobicContact CG1-CD1 4.43Å; V8-I11 WeakPolarHBondContact O-CB 3.44Å; V8-I11 PolarHBondContact O-N 2.98Å; V8-F13 HydrophobicContact CB-CE2 4.12Å; V8-F13 HydrophobicContact CB-CZ 4Å; V8-F13 HydrophobicContact CG1-CZ 4.28Å; V8-F13 HydrophobicContact CG2-CE2 4.25Å; V8-F13 HydrophobicContact CG2-CZ 4.44Å
9D90.9Very high88.4Confident143 Ų143111.8 Ų111.877%0.76558%0.584SS**THydrogen-bonded Turntrans-67.1-22.7-173-53.2-56.1000113S7 I11S7-D9 PolarHBondContact OG-N 3.08Å; S7-D9 PolarHBondContact OG-OD2 3.36Å; D9-I11 VanDerWaalsContact C-N 3.33Å
10H90.6Very high88.6Confident153 Ų153110.2 Ų110.271%0.70857%0.573SS**THydrogen-bonded Turntrans-85.6-6175.964.4-81.7000113.1S7 V8S7-H10 PolarHBondContact O-CE1 3.44Å; S7-H10 PolarHBondContact O-ND1 2.74Å; V8-H10 PolarHBondContact O-N 3.48Å
11I92.9Very high88.7Confident77 Ų77110 Ų11040%0.39557%0.57SS.*  trans-104.2114.1-177.4-53176.2000108.2V8 D9 F13V8-I11 HydrophobicContact CG1-CD1 4.43Å; V8-I11 WeakPolarHBondContact O-CB 3.44Å; V8-I11 PolarHBondContact O-N 2.98Å; D9-I11 VanDerWaalsContact C-N 3.33Å; I11-F13 HydrophobicContact CB-CZ 4.46Å; I11-F13 HydrophobicContact CG2-CD1 4.41Å; I11-F13 HydrophobicContact CG2-CE1 4.14Å; I11-F13 HydrophobicContact CG2-CZ 4.26Å; I11-F13 PolarHBondContact O-N 2.96Å
12K93.7Very high90Very high103 Ų103101.6 Ų101.645%0.44853%0.528SS..  trans-83.9114170.1-172.7155.3-175.4121.80109.3E16 I17 E20K12-E16 WeakPolarHBondContact CE-OE1 3.25Å; K12-E16 IonicContact NZ-OE1 3.73Å; K12-E16 PolarHBondContact NZ-OE1 3.41Å; K12-I17 HydrophobicContact CD-CD1 4.4Å; K12-I17 HydrophobicContact CD-CG1 3.96Å; K12-I17 HydrophobicContact CG-CD1 4.09Å; K12-I17 HydrophobicContact CG-CG1 3.83Å; K12-E20 IonicContact NZ-OE1 2.78Å; K12-E20 IonicContact NZ-OE2 2.79Å; K12-E20 PolarHBondContact NZ-OE2 3.2Å
13F95.6Very high90.8Very high100 Ų10098.6 Ų98.644%0.43952%0.517SS..  trans-78147.5179.4-65.3-77.8000111.1V8 I11 L15 E16 I17V8-F13 HydrophobicContact CB-CE2 4.12Å; V8-F13 HydrophobicContact CB-CZ 4Å; V8-F13 HydrophobicContact CG1-CZ 4.28Å; V8-F13 HydrophobicContact CG2-CE2 4.25Å; V8-F13 HydrophobicContact CG2-CZ 4.44Å; I11-F13 HydrophobicContact CB-CZ 4.46Å; I11-F13 HydrophobicContact CG2-CD1 4.41Å; I11-F13 HydrophobicContact CG2-CE1 4.14Å; I11-F13 HydrophobicContact CG2-CZ 4.26Å; I11-F13 PolarHBondContact O-N 2.96Å; F13-L15 PolarHBondContact O-N 3.37Å; F13-L15 VanDerWaalsContact O-N 3.14Å; F13-E16 WeakPolarHBondContact O-CB 3.27Å; F13-E16 PolarHBondContact O-N 2.87Å; F13-I17 PolarHBondContact O-N 2.92Å
14D95.3Very high91.2Very high132 Ų13294.3 Ų94.371%0.70652%0.517SS*.Hα-helixtrans-56.2-31.7173.2-65.7-33.9000112I17 A18D14-I17 PolarHBondContact O-N 3.45Å; D14-A18 VanDerWaalsContact O-CB 3.27Å; D14-A18 WeakPolarHBondContact O-CB 3.35Å; D14-A18 PolarHBondContact O-N 2.79Å
15L93.4Very high91.6Very high133 Ų13388 Ų8870%0.69649%0.488SS*.Hα-helixtrans-63.7-40.9175-72.5100.3000112.5F13 A18 V19F13-L15 PolarHBondContact O-N 3.37Å; F13-L15 VanDerWaalsContact O-N 3.14Å; L15-A18 PolarHBondContact O-N 3.14Å; L15-V19 WeakPolarHBondContact O-CB 3.41Å; L15-V19 VanDerWaalsContact O-CG2 3.25Å; L15-V19 WeakPolarHBondContact O-CG2 3.41Å; L15-V19 PolarHBondContact O-N 3.25Å
16E94.4Very high91.8Very high78 Ų7888.7 Ų88.736%0.36449%0.489SS..Hα-helixtrans-62.9-48.4178.3-171.5-169139.200109.7K12 F13 A18 V19 E20K12-E16 WeakPolarHBondContact CE-OE1 3.25Å; K12-E16 IonicContact NZ-OE1 3.73Å; K12-E16 PolarHBondContact NZ-OE1 3.41Å; F13-E16 WeakPolarHBondContact O-CB 3.27Å; F13-E16 PolarHBondContact O-N 2.87Å; E16-A18 VanDerWaalsContact C-N 3.34Å; E16-A18 PolarHBondContact O-N 2.78Å; E16-V19 PolarHBondContact O-N 3.19Å; E16-E20 WeakPolarHBondContact O-CB 3.36Å; E16-E20 VanDerWaalsContact O-CG 3.29Å; E16-E20 WeakPolarHBondContact O-CG 3.44Å; E16-E20 PolarHBondContact O-N 3.28Å
17I93.6Very high92Very high50 Ų5088.8 Ų88.826%0.25648%0.483SS..Hα-helixtrans-57.9-47.7176.2-61.3168000110.5K12 F13 D14 V19 Q21K12-I17 HydrophobicContact CD-CD1 4.4Å; K12-I17 HydrophobicContact CD-CG1 3.96Å; K12-I17 HydrophobicContact CG-CD1 4.09Å; K12-I17 HydrophobicContact CG-CG1 3.83Å; F13-I17 PolarHBondContact O-N 2.92Å; D14-I17 PolarHBondContact O-N 3.45Å; I17-V19 PolarHBondContact O-N 3.1Å; I17-Q21 HydrophobicContact CG2-CG 4.44Å; I17-Q21 VanDerWaalsContact O-CB 3.27Å; I17-Q21 WeakPolarHBondContact O-CB 3.35Å; I17-Q21 WeakPolarHBondContact O-CG 3.27Å; I17-Q21 PolarHBondContact O-N 3.01Å
18A94.2Very high92.1Very high35 Ų3587.5 Ų87.529%0.28947%0.473SS..Hα-helixtrans-66-37.1-177.500000113D14 L15 E16 Q22 L23D14-A18 VanDerWaalsContact O-CB 3.27Å; D14-A18 WeakPolarHBondContact O-CB 3.35Å; D14-A18 PolarHBondContact O-N 2.79Å; L15-A18 PolarHBondContact O-N 3.14Å; E16-A18 VanDerWaalsContact C-N 3.34Å; E16-A18 PolarHBondContact O-N 2.78Å; A18-Q22 CarbonylContact O-C 3.55Å; A18-Q22 WeakPolarHBondContact O-CA 3.29Å; A18-Q22 PolarHBondContact O-N 3.32Å; A18-L23 HydrophobicContact CB-CB 4.29Å; A18-L23 HydrophobicContact CB-CD1 4.41Å; A18-L23 PolarHBondContact O-N 3.15Å
19V92.4Very high92.1Very high109 Ų10988.4 Ų88.466%0.66148%0.48SS*.Hα-helixtrans-71.2-47.9177.3170.50000111L15 E16 I17 Q21 Q22L15-V19 WeakPolarHBondContact O-CB 3.41Å; L15-V19 VanDerWaalsContact O-CG2 3.25Å; L15-V19 WeakPolarHBondContact O-CG2 3.41Å; L15-V19 PolarHBondContact O-N 3.25Å; E16-V19 PolarHBondContact O-N 3.19Å; I17-V19 PolarHBondContact O-N 3.1Å; V19-Q21 VanDerWaalsContact C-N 3.35Å; V19-Q21 PolarHBondContact O-N 3.01Å; V19-Q22 PolarHBondContact O-N 2.9Å; V19-Q22 VanDerWaalsContact O-N 3.15Å
20E91.8Very high92.1Very high78 Ų7888.5 Ų88.536%0.36447%0.474SS..Hα-helixtrans-60.7-43.4178.6-72.7178.5160.300111.7K12 E16 Q22K12-E20 IonicContact NZ-OE1 2.78Å; K12-E20 IonicContact NZ-OE2 2.79Å; K12-E20 PolarHBondContact NZ-OE2 3.2Å; E16-E20 WeakPolarHBondContact O-CB 3.36Å; E16-E20 VanDerWaalsContact O-CG 3.29Å; E16-E20 WeakPolarHBondContact O-CG 3.44Å; E16-E20 PolarHBondContact O-N 3.28Å; E20-Q22 VanDerWaalsContact C-N 3.29Å; E20-Q22 PolarHBondContact O-N 2.96Å
21Q91.6Very high91.9Very high107 Ų10786.5 Ų86.550%0.547%0.474SS..THydrogen-bonded Turntrans-84.3-3179.5-63.9-179.5700113.2I17 V19 L23I17-Q21 HydrophobicContact CG2-CG 4.44Å; I17-Q21 VanDerWaalsContact O-CB 3.27Å; I17-Q21 WeakPolarHBondContact O-CB 3.35Å; I17-Q21 WeakPolarHBondContact O-CG 3.27Å; I17-Q21 PolarHBondContact O-N 3.01Å; V19-Q21 VanDerWaalsContact C-N 3.35Å; V19-Q21 PolarHBondContact O-N 3.01Å; Q21-L23 HydrophobicContact CB-CD2 4.04Å; Q21-L23 HydrophobicContact CB-CG 3.87Å; Q21-L23 PolarHBondContact O-N 3.45Å
22Q90.8Very high91.4Very high16 Ų1686.3 Ų86.38%0.07549%0.491CS..THydrogen-bonded Turntrans52.138.7-176-55.5-177.9-8.100113.4A18 V19 E20 A25 F43 F57A18-Q22 CarbonylContact O-C 3.55Å; A18-Q22 WeakPolarHBondContact O-CA 3.29Å; A18-Q22 PolarHBondContact O-N 3.32Å; V19-Q22 PolarHBondContact O-N 2.9Å; V19-Q22 VanDerWaalsContact O-N 3.15Å; E20-Q22 VanDerWaalsContact C-N 3.29Å; E20-Q22 PolarHBondContact O-N 2.96Å; Q22-A25 HydrophobicContact CB-CB 4.32Å; Q22-A25 WeakPolarHBondContact O-CB 3.15Å; Q22-A25 PolarHBondContact O-N 3.48Å; Q22-F43 HydrophobicContact CB-CE2 3.99Å; Q22-F43 VanDerWaalsContact CD-CD2 3.46Å; Q22-F43 HydrophobicContact CG-CD2 4.11Å; Q22-F43 HydrophobicContact CG-CE2 3.7Å; Q22-F43 VanDerWaalsContact OE1-CD2 3.31Å; Q22-F57 HydrophobicContact CB-CE2 3.66Å; Q22-F57 HydrophobicContact CB-CZ 3.9Å; Q22-F57 HydrophobicContact CG-CD2 4.16Å; Q22-F57 HydrophobicContact CG-CE1 4.41Å; Q22-F57 HydrophobicContact CG-CE2 3.52Å; Q22-F57 HydrophobicContact CG-CZ 3.65Å; Q22-F57 VanDerWaalsContact OE1-CD2 3.25Å; Q22-F57 VanDerWaalsContact OE1-CE2 3.23Å
23L91.4Very high91.1Very high106 Ų10685.6 Ų85.656%0.55549%0.491SS*.THydrogen-bonded Turntrans-63.7136.7179.5-60.8-178.8000110.2A18 Q21 A25A18-L23 HydrophobicContact CB-CB 4.29Å; A18-L23 HydrophobicContact CB-CD1 4.41Å; A18-L23 PolarHBondContact O-N 3.15Å; Q21-L23 HydrophobicContact CB-CD2 4.04Å; Q21-L23 HydrophobicContact CB-CG 3.87Å; Q21-L23 PolarHBondContact O-N 3.45Å; L23-A25 PolarHBondContact O-N 2.96Å
24G88.9Confident90.4Very high75 Ų7584.2 Ų84.277%0.77349%0.488SS*.THydrogen-bonded Turntrans76.5-2.4-179.400000115.7Q26G24-Q26 PolarHBondContact O-N 3.33Å
25A89.9Confident90Very high26 Ų2679 Ų7922%0.21546%0.459CS..  trans-75.595.1179.700000111.9Q22 L23 K51 P56 F57Q22-A25 HydrophobicContact CB-CB 4.32Å; Q22-A25 WeakPolarHBondContact O-CB 3.15Å; Q22-A25 PolarHBondContact O-N 3.48Å; L23-A25 PolarHBondContact O-N 2.96Å; A25-K51 PolarHBondContact O-NZ 2.65Å; A25-P56 HydrophobicContact CB-CG 4.05Å; A25-F57 HydrophobicContact CB-CE2 3.54Å; A25-F57 HydrophobicContact CB-CZ 3.89Å
26Q90.6Very high89.5Confident152 Ų15274.1 Ų74.171%0.7144%0.436SS*.PPolyproline II helixtrans-68.4150.4176.2-63.5-64-4.100112.2G24 P56G24-Q26 PolarHBondContact O-N 3.33Å; Q26-P56 WeakPolarHBondContact O-CG 3.41Å
27P91.1Very high88.9Confident71 Ų7174.4 Ų74.446%0.46146%0.46SS..PPolyproline II helixtrans-57.3151.5171.8-22.133.4000111.7M54P27-M54 HydrophobicContact CB-CB 4.47Å
28L91.1Very high88.8Confident21 Ų2173.5 Ų73.511%0.1146%0.46CS..PPolyproline II helixtrans-61.8141.2175.7-66.2-175.8000111.3F30 M33 K35 M54 P56L28-F30 VanDerWaalsContact C-N 3.28Å; L28-F30 PolarHBondContact O-N 3.23Å; L28-M33 HydrophobicContact CB-CE 4.35Å; L28-M33 HydrophobicContact CD1-CB 4.15Å; L28-M33 HydrophobicContact CD1-CE 4.23Å; L28-M33 HydrophobicContact CD2-CE 3.49Å; L28-M33 VanDerWaalsContact CD2-CE 3.49Å; L28-M33 HydrophobicContact CG-CE 4.22Å; L28-K35 HydrophobicContact CD1-CD 3.7Å; L28-K35 HydrophobicContact CD1-CG 4.03Å; L28-M54 PolarHBondContact N-O 3.46Å; L28-M54 VanDerWaalsContact O-CE 3.24Å; L28-M54 WeakPolarHBondContact O-CE 3.37Å; L28-P56 HydrophobicContact CD2-CB 3.82Å; L28-P56 HydrophobicContact CG-CB 4.34Å
29P90.7Very high88.6Confident91 Ų9174.9 Ų74.959%0.59147%0.471SS*.SBendtrans-69.3-26-177.527.1-34.7000113.1M33P29-M33 HydrophobicContact CG-CE 4.48Å
30F89.2Confident88.6Confident146 Ų14672.7 Ų72.764%0.6446%0.458SS*.SBendtrans-135.6139.6-178.4-53.7-70.1000111.6L28L28-F30 VanDerWaalsContact C-N 3.28Å; L28-F30 PolarHBondContact O-N 3.23Å
31P87.3Confident88.6Confident110 Ų11069 Ų6971%0.71444%0.441SS*.THydrogen-bonded Turntrans-62.3147.5172.3-21.233000112.3M33P31-M33 VanDerWaalsContact C-N 3.32Å; P31-M33 PolarHBondContact O-N 3.13Å
32G83.1Confident88.7Confident73 Ų7368 Ų6875%0.75344%0.436SS*.THydrogen-bonded Turntrans78.87.7172.900000115.6
33M86.2Confident88.8Confident88 Ų8870.5 Ų70.543%0.43345%0.447SS..  trans-63.6137174.3-168.115571.900111.1L28 P29 P31 K35L28-M33 HydrophobicContact CB-CE 4.35Å; L28-M33 HydrophobicContact CD1-CB 4.15Å; L28-M33 HydrophobicContact CD1-CE 4.23Å; L28-M33 HydrophobicContact CD2-CE 3.49Å; L28-M33 VanDerWaalsContact CD2-CE 3.49Å; L28-M33 HydrophobicContact CG-CE 4.22Å; P29-M33 HydrophobicContact CG-CE 4.48Å; P31-M33 VanDerWaalsContact C-N 3.32Å; P31-M33 PolarHBondContact O-N 3.13Å; M33-K35 PolarHBondContact O-N 3.01Å
34D81.6Confident88.9Confident72 Ų7268.6 Ų68.639%0.38543%0.434SS..  trans-66.3133175.917865.6000110.4S36 G79D34-S36 VanDerWaalsContact CG-OG 3.26Å; D34-S36 PolarHBondContact OD1-OG 3.34Å; D34-S36 WeakPolarHBondContact OD2-CB 3.06Å; D34-S36 PolarHBondContact OD2-N 3.48Å; D34-S36 PolarHBondContact OD2-OG 2.81Å; D34-G79 VanDerWaalsContact OD1-CA 3.3Å; D34-G79 WeakPolarHBondContact OD1-CA 2.93Å
35K87.4Confident89.1Confident22 Ų2270.1 Ų70.110%0.09642%0.424CS..  trans-112.822.1-179.4-57.3-166-63.2-68.60111.3L28 M33 G37 A38 C55 F57 R58 D80L28-K35 HydrophobicContact CD1-CD 3.7Å; L28-K35 HydrophobicContact CD1-CG 4.03Å; M33-K35 PolarHBondContact O-N 3.01Å; K35-G37 PolarHBondContact O-N 3.47Å; K35-G37 VanDerWaalsContact O-N 3.08Å; K35-A38 HydrophobicContact CB-CB 4.23Å; K35-A38 PolarHBondContact O-N 3.46Å; K35-C55 WeakPolarHBondContact CD-O 3.42Å; K35-C55 WeakPolarHBondContact CE-O 3.48Å; K35-F57 WeakPolarHBondContact CE-O 3.41Å; K35-R58 HydrophobicContact CB-CG 3.93Å; K35-R58 WeakPolarHBondContact O-CD 3.38Å; K35-R58 WeakPolarHBondContact O-CG 3.17Å; K35-R58 PolarHBondContact O-NH1 3.33Å; K35-D80 WeakPolarHBondContact CE-OD2 3.24Å; K35-D80 IonicContact NZ-OD2 2.65Å; K35-D80 PolarHBondContact NZ-OD2 3.27Å
36S82.1Confident89.3Confident31 Ų3175.5 Ų75.522%0.21744%0.443CS..THydrogen-bonded Turntrans-62.2-21.3-169.2-68.60000114.4D34D34-S36 VanDerWaalsContact CG-OG 3.26Å; D34-S36 PolarHBondContact OD1-OG 3.34Å; D34-S36 WeakPolarHBondContact OD2-CB 3.06Å; D34-S36 PolarHBondContact OD2-N 3.48Å; D34-S36 PolarHBondContact OD2-OG 2.81Å
37G82.5Confident89.3Confident83 Ų8372.9 Ų72.986%0.85645%0.447SS*.THydrogen-bonded Turntrans-100-1.7174.300000115.5K35K35-G37 PolarHBondContact O-N 3.47Å; K35-G37 VanDerWaalsContact O-N 3.08Å
38A89.9Confident89.4Confident32 Ų3272.8 Ų72.826%0.26445%0.452SS..SBendtrans-82.1152.2179.300000111.2K35 P56 R58K35-A38 HydrophobicContact CB-CB 4.23Å; K35-A38 PolarHBondContact O-N 3.46Å; A38-P56 VanDerWaalsContact CB-O 3.23Å; A38-P56 WeakPolarHBondContact CB-O 3.48Å; A38-R58 HydrophobicContact CB-CG 4.26Å; A38-R58 WeakPolarHBondContact O-CD 3.45Å; A38-R58 WeakPolarHBondContact O-CG 3.07Å
39A90.9Very high89.5Confident63 Ų6373.2 Ų73.252%0.52146%0.456SS..PPolyproline II helixtrans-61.6157.5172.600000111.3F57 R58A39-F57 HydrophobicContact CB-CD1 4.05Å; A39-F57 HydrophobicContact CB-CE1 4.37Å; A39-F57 WeakPolarHBondContact O-CA 2.92Å; A39-F57 WeakPolarHBondContact O-CB 3.23Å; A39-R58 PolarHBondContact O-N 3.19Å
40V91.3Very high89.4Confident63 Ų6372.8 Ų72.838%0.38247%0.468SS..BIsolated β-bridgetrans-70.6135.3174.3177.70000109.4E42 L45 I60V40-E42 PolarHBondContact O-N 3.28Å; V40-E42 VanDerWaalsContact O-N 3.16Å; V40-L45 HydrophobicContact CG1-CD1 3.39Å; V40-I60 HydrophobicContact CG1-CD1 3.8Å; V40-I60 HydrophobicContact CG1-CG1 3.86Å
41C93.4Very high89.4Confident0 Ų069 Ų690%045%0.452CS..  trans-75.2103.7-179.3-171.90000111.2F43 F44 L45 F57 R58 H59C41-F43 VanDerWaalsContact C-N 3.28Å; C41-F43 PolarHBondContact O-N 3.31Å; C41-F44 HydrophobicContact CB-CB 3.72Å; C41-F44 WeakPolarHBondContact O-CB 3.21Å; C41-F44 PolarHBondContact O-N 2.83Å; C41-F44 PolarHBondContact SG-N 3.1Å; C41-L45 WeakPolarHBondContact O-CD1 3.3Å; C41-L45 PolarHBondContact O-N 3.42Å; C41-F57 HydrophobicContact CB-CB 3.55Å; C41-R58 WeakPolarHBondContact CB-O 3.47Å; C41-R58 PolarHBondContact N-O 3.03Å; C41-H59 VanDerWaalsContact CB-CD2 3.45Å; C41-H59 WeakPolarHBondContact CB-CD2 2.99Å
42E92.8Very high89.4Confident88 Ų8865.6 Ų65.641%0.41144%0.437SS..Hα-helixtrans-59.8-37.2176.5-66.6-167.8-16700113.5V40 F44 L45 K46V40-E42 PolarHBondContact O-N 3.28Å; V40-E42 VanDerWaalsContact O-N 3.16Å; E42-F44 PolarHBondContact O-N 2.95Å; E42-L45 PolarHBondContact O-N 3Å; E42-K46 WeakPolarHBondContact O-CG 3.29Å; E42-K46 PolarHBondContact O-N 3.48Å; E42-K46 IonicContact OE2-NZ 2.76Å; E42-K46 PolarHBondContact OE2-NZ 3.42Å
43F94.1Very high89.5Confident67 Ų6765.1 Ų65.129%0.29443%0.432SS..Hα-helixtrans-64.1-30.8175.8-61.9-61.7000111.9Q22 C41 K46 A47 A48 C49Q22-F43 HydrophobicContact CB-CE2 3.99Å; Q22-F43 VanDerWaalsContact CD-CD2 3.46Å; Q22-F43 HydrophobicContact CG-CD2 4.11Å; Q22-F43 HydrophobicContact CG-CE2 3.7Å; Q22-F43 VanDerWaalsContact OE1-CD2 3.31Å; C41-F43 VanDerWaalsContact C-N 3.28Å; C41-F43 PolarHBondContact O-N 3.31Å; F43-K46 CarbonylContact O-C 3.58Å; F43-K46 PolarHBondContact O-N 3.36Å; F43-A47 PolarHBondContact O-N 3.46Å; F43-A47 VanDerWaalsContact O-N 3.12Å; F43-A48 HydrophobicContact CB-CB 4.49Å; F43-A48 WeakPolarHBondContact O-CA 3.09Å; F43-A48 PolarHBondContact O-N 3.08Å; F43-C49 HydrophobicContact CB-CB 4Å; F43-C49 PolarHBondContact O-N 3.5Å; F43-C49 VanDerWaalsContact O-N 3.14Å
44F93.7Very high89.7Confident67 Ų6764.9 Ų64.929%0.29443%0.431SS..Hα-helixtrans-71.5-40.2175.3-175.7-100.8000111.3C41 E42 K46 A47 C49 H59C41-F44 HydrophobicContact CB-CB 3.72Å; C41-F44 WeakPolarHBondContact O-CB 3.21Å; C41-F44 PolarHBondContact O-N 2.83Å; C41-F44 PolarHBondContact SG-N 3.1Å; E42-F44 PolarHBondContact O-N 2.95Å; F44-K46 PolarHBondContact O-N 2.85Å; F44-A47 PolarHBondContact O-N 3.28Å; F44-C49 HydrophobicContact CB-CB 3.96Å; F44-C49 HydrophobicContact CD2-CB 4.38Å; F44-H59 VanDerWaalsContact CB-CD2 3.43Å; F44-H59 WeakPolarHBondContact CB-CD2 3.41Å; F44-H59 HydrophobicContact CD1-CB 3.73Å; F44-H59 AromaticContact CD1-CG 3.87Å; F44-H59 HydrophobicContact CD2-CB 4.11Å; F44-H59 AromaticContact CD2-CD2 3.76Å; F44-H59 AromaticContact CD2-CE1 3.57Å; F44-H59 AromaticContact CD2-CG 3.52Å; F44-H59 AromaticContact CD2-ND1 3.4Å; F44-H59 WeakPolarHBondContact CD2-ND1 3.44Å; F44-H59 AromaticContact CD2-NE2 3.79Å; F44-H59 HydrophobicContact CE1-CB 3.74Å; F44-H59 HydrophobicContact CE2-CB 4.12Å; F44-H59 AromaticContact CE2-CG 3.88Å; F44-H59 AromaticContact CE2-ND1 3.65Å; F44-H59 HydrophobicContact CG-CB 3.92Å; F44-H59 AromaticContact CG-CD2 3.47Å; F44-H59 VanDerWaalsContact CG-CD2 3.47Å; F44-H59 WeakPolarHBondContact CG-CD2 3.17Å; F44-H59 AromaticContact CG-CG 3.51Å; F44-H59 AromaticContact CG-ND1 3.9Å; F44-H59 AromaticContact CG-NE2 3.84Å; F44-H59 HydrophobicContact CZ-CB 3.93Å
45L91.4Very high90.2Very high106 Ų10661.5 Ų61.556%0.55541%0.413SS*.Hα-helixtrans-61-35.7173.3-84.974.1000111.8V40 C41 E42 A47 I60V40-L45 HydrophobicContact CG1-CD1 3.39Å; C41-L45 WeakPolarHBondContact O-CD1 3.3Å; C41-L45 PolarHBondContact O-N 3.42Å; E42-L45 PolarHBondContact O-N 3Å; L45-A47 VanDerWaalsContact C-N 3.29Å; L45-I60 HydrophobicContact CD1-CD1 3.96Å; L45-I60 HydrophobicContact CD1-CG1 3.81Å; L45-I60 HydrophobicContact CD2-CD1 4.38Å; L45-I60 HydrophobicContact CG-CD1 4.38Å
46K93.8Very high90.4Very high140 Ų14061.6 Ų61.661%0.60942%0.416SS*.THydrogen-bonded Turntrans-85.16.7175.9-65.4166.7-179159.90113.6E42 F43 F44 A48E42-K46 WeakPolarHBondContact O-CG 3.29Å; E42-K46 PolarHBondContact O-N 3.48Å; E42-K46 IonicContact OE2-NZ 2.76Å; E42-K46 PolarHBondContact OE2-NZ 3.42Å; F43-K46 CarbonylContact O-C 3.58Å; F43-K46 PolarHBondContact O-N 3.36Å; F44-K46 PolarHBondContact O-N 2.85Å; K46-A48 PolarHBondContact O-N 2.97Å
47A91.1Very high91Very high97 Ų9761.9 Ų61.980%0.80241%0.413SS*.THydrogen-bonded Turntrans56.324.6-176.400000116F43 F44 L45F43-A47 PolarHBondContact O-N 3.46Å; F43-A47 VanDerWaalsContact O-N 3.12Å; F44-A47 PolarHBondContact O-N 3.28Å; L45-A47 VanDerWaalsContact C-N 3.29Å
48A93.9Very high91.4Very high69 Ų6959 Ų5957%0.5738%0.376SS*.  trans-108.61.7-178.800000114.2F43 K46 G50F43-A48 HydrophobicContact CB-CB 4.49Å; F43-A48 WeakPolarHBondContact O-CA 3.09Å; F43-A48 PolarHBondContact O-N 3.08Å; K46-A48 PolarHBondContact O-N 2.97Å; A48-G50 PolarHBondContact O-N 3.01Å; A48-G50 VanDerWaalsContact O-N 3.15Å
49C92.3Very high91.5Very high29 Ų2958.4 Ų58.420%0.19637%0.368CS..  trans-74.1105.9-177.5-176.20000112.3F43 F44 H59F43-C49 HydrophobicContact CB-CB 4Å; F43-C49 PolarHBondContact O-N 3.5Å; F43-C49 VanDerWaalsContact O-N 3.14Å; F44-C49 HydrophobicContact CB-CB 3.96Å; F44-C49 HydrophobicContact CD2-CB 4.38Å; C49-H59 VanDerWaalsContact SG-CE1 3.6Å; C49-H59 PolarHBondContact SG-NE2 2.98Å
50G90Very high91.3Very high82 Ų8258.4 Ų58.485%0.84536%0.358SS*.THydrogen-bonded Turntrans-80.3-6.2174.700000115.7A48 G52A48-G50 PolarHBondContact O-N 3.01Å; A48-G50 VanDerWaalsContact O-N 3.15Å; G50-G52 VanDerWaalsContact C-N 3.29Å; G50-G52 PolarHBondContact O-N 3.27Å
51K89.1Confident90.9Very high67 Ų6758.9 Ų58.929%0.29137%0.365SS..THydrogen-bonded Turntrans-80.3-6.9-175.5-59.8-178.9-174.3177.60113.9A25 M54 C55A25-K51 PolarHBondContact O-NZ 2.65Å; K51-M54 CarbonylContact O-C 3.16Å; K51-M54 PolarHBondContact O-N 2.86Å; K51-C55 HydrophobicContact CB-CB 3.74Å; K51-C55 PolarHBondContact O-N 3.34Å
52G86.7Confident90.3Very high39 Ų3962.1 Ų62.140%0.40240%0.398SS..G310 helixtrans53.7-141.6178.400000113.4G50 M54 C55 H59G50-G52 VanDerWaalsContact C-N 3.29Å; G50-G52 PolarHBondContact O-N 3.27Å; G52-M54 PolarHBondContact O-N 3.45Å; G52-C55 WeakPolarHBondContact O-CB 3.38Å; G52-C55 PolarHBondContact O-N 3.45Å; G52-H59 PolarHBondContact O-CE1 2.87Å
53G85.8Confident89.8Confident63 Ų6367.4 Ų67.465%0.64942%0.423SS*.G310 helixtrans-69.1-13.3177.700000114.9C55G53-C55 VanDerWaalsContact C-N 3.32Å
54M89.7Confident89.5Confident83 Ų8365.9 Ų65.941%0.40942%0.416SS..G310 helixtrans-91.95.4178-61.9-179.969.100112.7P27 L28 K51 G52P27-M54 HydrophobicContact CB-CB 4.47Å; L28-M54 PolarHBondContact N-O 3.46Å; L28-M54 VanDerWaalsContact O-CE 3.24Å; L28-M54 WeakPolarHBondContact O-CE 3.37Å; K51-M54 CarbonylContact O-C 3.16Å; K51-M54 PolarHBondContact O-N 2.86Å; G52-M54 PolarHBondContact O-N 3.45Å
55C92.5Very high89.2Confident0 Ų067.9 Ų67.90%043%0.434CS..  trans-58.6129.1173.3-170.50000110.2K35 K51 G52 G53 F57 H59K35-C55 WeakPolarHBondContact CD-O 3.42Å; K35-C55 WeakPolarHBondContact CE-O 3.48Å; K51-C55 HydrophobicContact CB-CB 3.74Å; K51-C55 PolarHBondContact O-N 3.34Å; G52-C55 WeakPolarHBondContact O-CB 3.38Å; G52-C55 PolarHBondContact O-N 3.45Å; G53-C55 VanDerWaalsContact C-N 3.32Å; C55-F57 PolarHBondContact O-N 3.16Å; C55-H59 VanDerWaalsContact CB-CE1 3.48Å; C55-H59 WeakPolarHBondContact CB-CE1 3.49Å; C55-H59 VanDerWaalsContact CB-NE2 3.31Å; C55-H59 WeakPolarHBondContact CB-NE2 3.32Å; C55-H59 PolarHBondContact SG-NE2 3.5Å
56P91.9Very high89.1Confident25 Ų2565.3 Ų65.316%0.16242%0.423CS..SBendtrans-69.3-13.7176.928.2-35.4000113.5A25 Q26 L28 A38A25-P56 HydrophobicContact CB-CG 4.05Å; Q26-P56 WeakPolarHBondContact O-CG 3.41Å; L28-P56 HydrophobicContact CD2-CB 3.82Å; L28-P56 HydrophobicContact CG-CB 4.34Å; A38-P56 VanDerWaalsContact CB-O 3.23Å; A38-P56 WeakPolarHBondContact CB-O 3.48Å
57F93.3Very high89Confident37 Ų3758.7 Ų58.716%0.16239%0.394CS..SBendtrans-97.9154179.1-60.7-80.3000111.9Q22 A25 K35 A39 C41 C55 H59Q22-F57 HydrophobicContact CB-CE2 3.66Å; Q22-F57 HydrophobicContact CB-CZ 3.9Å; Q22-F57 HydrophobicContact CG-CD2 4.16Å; Q22-F57 HydrophobicContact CG-CE1 4.41Å; Q22-F57 HydrophobicContact CG-CE2 3.52Å; Q22-F57 HydrophobicContact CG-CZ 3.65Å; Q22-F57 VanDerWaalsContact OE1-CD2 3.25Å; Q22-F57 VanDerWaalsContact OE1-CE2 3.23Å; A25-F57 HydrophobicContact CB-CE2 3.54Å; A25-F57 HydrophobicContact CB-CZ 3.89Å; K35-F57 WeakPolarHBondContact CE-O 3.41Å; A39-F57 HydrophobicContact CB-CD1 4.05Å; A39-F57 HydrophobicContact CB-CE1 4.37Å; A39-F57 WeakPolarHBondContact O-CA 2.92Å; A39-F57 WeakPolarHBondContact O-CB 3.23Å; C41-F57 HydrophobicContact CB-CB 3.55Å; C55-F57 PolarHBondContact O-N 3.16Å; F57-H59 PolarHBondContact O-N 3.33Å
58R91.7Very high89Confident22 Ų2254.1 Ų54.18%0.08336%0.356CS..BIsolated β-bridgetrans-68.2129.4-179.6-66.1178.860.657.77.1111.3K35 A38 A39 C41 D80K35-R58 HydrophobicContact CB-CG 3.93Å; K35-R58 WeakPolarHBondContact O-CD 3.38Å; K35-R58 WeakPolarHBondContact O-CG 3.17Å; K35-R58 PolarHBondContact O-NH1 3.33Å; A38-R58 HydrophobicContact CB-CG 4.26Å; A38-R58 WeakPolarHBondContact O-CD 3.45Å; A38-R58 WeakPolarHBondContact O-CG 3.07Å; A39-R58 PolarHBondContact O-N 3.19Å; C41-R58 WeakPolarHBondContact CB-O 3.47Å; C41-R58 PolarHBondContact N-O 3.03Å; R58-D80 WeakPolarHBondContact CA-OD2 3.42Å; R58-D80 IonicContact CZ-OD1 3.34Å; R58-D80 IonicContact NH1-OD1 3.34Å; R58-D80 PolarHBondContact NH1-OD1 3.49Å; R58-D80 IonicContact NH2-OD1 2.68Å
59H91.2Very high88.8Confident19 Ų1956.7 Ų56.79%0.08835%0.354CS..  trans-96.8115.6168.3-70.1178.3000109C41 F44 C49 G52 C55 F57 D80C41-H59 VanDerWaalsContact CB-CD2 3.45Å; C41-H59 WeakPolarHBondContact CB-CD2 2.99Å; F44-H59 VanDerWaalsContact CB-CD2 3.43Å; F44-H59 WeakPolarHBondContact CB-CD2 3.41Å; F44-H59 HydrophobicContact CD1-CB 3.73Å; F44-H59 AromaticContact CD1-CG 3.87Å; F44-H59 HydrophobicContact CD2-CB 4.11Å; F44-H59 AromaticContact CD2-CD2 3.76Å; F44-H59 AromaticContact CD2-CE1 3.57Å; F44-H59 AromaticContact CD2-CG 3.52Å; F44-H59 AromaticContact CD2-ND1 3.4Å; F44-H59 WeakPolarHBondContact CD2-ND1 3.44Å; F44-H59 AromaticContact CD2-NE2 3.79Å; F44-H59 HydrophobicContact CE1-CB 3.74Å; F44-H59 HydrophobicContact CE2-CB 4.12Å; F44-H59 AromaticContact CE2-CG 3.88Å; F44-H59 AromaticContact CE2-ND1 3.65Å; F44-H59 HydrophobicContact CG-CB 3.92Å; F44-H59 AromaticContact CG-CD2 3.47Å; F44-H59 VanDerWaalsContact CG-CD2 3.47Å; F44-H59 WeakPolarHBondContact CG-CD2 3.17Å; F44-H59 AromaticContact CG-CG 3.51Å; F44-H59 AromaticContact CG-ND1 3.9Å; F44-H59 AromaticContact CG-NE2 3.84Å; F44-H59 HydrophobicContact CZ-CB 3.93Å; C49-H59 VanDerWaalsContact SG-CE1 3.6Å; C49-H59 PolarHBondContact SG-NE2 2.98Å; G52-H59 PolarHBondContact O-CE1 2.87Å; C55-H59 VanDerWaalsContact CB-CE1 3.48Å; C55-H59 WeakPolarHBondContact CB-CE1 3.49Å; C55-H59 VanDerWaalsContact CB-NE2 3.31Å; C55-H59 WeakPolarHBondContact CB-NE2 3.32Å; C55-H59 PolarHBondContact SG-NE2 3.5Å; F57-H59 PolarHBondContact O-N 3.33Å; H59-D80 PolarHBondContact N-OD2 3.3Å; H59-D80 WeakPolarHBondContact O-CB 3.48Å
60I88.3Confident88.7Confident63 Ų6360.3 Ų60.332%0.32337%0.368SS..  trans-93.7103.4175.747.4170.3000109.4V40 L45V40-I60 HydrophobicContact CG1-CD1 3.8Å; V40-I60 HydrophobicContact CG1-CG1 3.86Å; L45-I60 HydrophobicContact CD1-CD1 3.96Å; L45-I60 HydrophobicContact CD1-CG1 3.81Å; L45-I60 HydrophobicContact CD2-CD1 4.38Å; L45-I60 HydrophobicContact CG-CD1 4.38Å
61S82.3Confident88.8Confident74 Ų7459 Ų5952%0.51734%0.338SS..  trans-100.6125.8173.3-59.30000110.2K64S61-K64 PolarHBondContact O-NZ 3.25Å
62G81.2Confident88.8Confident68 Ų6859 Ų5970%0.70134%0.341SS*.SBendtrans71.2162.2172.700000116.2K64G62-K64 PolarHBondContact O-NZ 2.84Å; G62-K64 VanDerWaalsContact O-NZ 3.17Å
63E82.2Confident88.8Confident199 Ų19965.7 Ų65.793%0.9335%0.354SS*.  trans-77.9118.4174.7-65.2174-17100109.8
64K87.2Confident88.9Confident34 Ų3465.9 Ų65.915%0.14836%0.356CS..  trans-106.3127.6178.2-69.4171.8-75.5-66.80109.1S61 G62 C82 L85S61-K64 PolarHBondContact O-NZ 3.25Å; G62-K64 PolarHBondContact O-NZ 2.84Å; G62-K64 VanDerWaalsContact O-NZ 3.17Å; K64-C82 WeakPolarHBondContact CD-O 3.39Å; K64-L85 HydrophobicContact CB-CB 3.85Å; K64-L85 HydrophobicContact CB-CD1 3.89Å
65T88Confident89Confident110 Ų11067.5 Ų67.568%0.67537%0.365SS*.  trans-93-31.4-168.653.80000113.8K92T65-K92 VanDerWaalsContact O-CB 3.26Å; T65-K92 WeakPolarHBondContact O-CB 3.5Å; T65-K92 WeakPolarHBondContact O-CD 3.24Å; T65-K92 VanDerWaalsContact O-CG 3.29Å; T65-K92 WeakPolarHBondContact O-CG 3.21Å
66V90Very high88.9Confident52 Ų5267.9 Ų67.932%0.31537%0.368SS..SBendtrans-121.8136.2-174.1-179.70000110.6F84 L85 K92 P94V66-F84 HydrophobicContact CB-CD1 4.35Å; V66-F84 CarbonylContact O-C 3.59Å; V66-F84 WeakPolarHBondContact O-CA 3.42Å; V66-L85 WeakPolarHBondContact O-CB 3.38Å; V66-L85 PolarHBondContact O-N 3.36Å; V66-K92 WeakPolarHBondContact CA-O 3.37Å; V66-P94 HydrophobicContact CG1-CB 3.86Å; V66-P94 HydrophobicContact CG1-CG 4.24Å
67V90.7Very high88.8Confident1 Ų176.1 Ų76.11%0.00640%0.402CS..BIsolated β-bridgetrans-65.7135.2178.8179.20000111.8K69 W71 L72 L85 E87 D89 K92 M93V67-K69 PolarHBondContact O-N 3.43Å; V67-K69 VanDerWaalsContact O-N 3.16Å; V67-W71 HydrophobicContact CG1-CE3 4.21Å; V67-W71 HydrophobicContact CG1-CZ3 4.32Å; V67-L72 HydrophobicContact CG1-CD1 3.96Å; V67-L72 HydrophobicContact CG1-CD2 3.97Å; V67-L72 HydrophobicContact CG1-CG 3.91Å; V67-L85 CarbonylContact C-O 3.58Å; V67-L85 WeakPolarHBondContact CA-O 3.44Å; V67-L85 HydrophobicContact CG2-CD2 4.28Å; V67-E87 WeakPolarHBondContact CG1-O 3.28Å; V67-E87 WeakPolarHBondContact CG2-O 3.48Å; V67-D89 HydrophobicContact CG2-CB 4.36Å; V67-D89 WeakPolarHBondContact CG2-O 3.4Å; V67-K92 HydrophobicContact CG2-CB 3.99Å; V67-K92 PolarHBondContact N-O 3.38Å; V67-M93 HydrophobicContact CG1-CE 4.49Å
68C90.9Very high88.5Confident0 Ų078.7 Ų78.70%041%0.413CS..  trans-68.3111177.9-176.90000111H70 W71 L72 C82 F84 L85 H86C68-H70 PolarHBondContact O-N 2.82Å; C68-H70 VanDerWaalsContact O-N 3.16Å; C68-W71 HydrophobicContact CB-CB 3.68Å; C68-W71 PolarHBondContact O-N 3Å; C68-W71 PolarHBondContact SG-N 3.22Å; C68-W71 VanDerWaalsContact SG-N 3.38Å; C68-L72 PolarHBondContact O-N 2.91Å; C68-C82 VanDerWaalsContact SG-SG 3.62Å; C68-F84 VanDerWaalsContact CA-CB 3.45Å; C68-F84 HydrophobicContact CB-CB 3.43Å; C68-F84 VanDerWaalsContact CB-CB 3.43Å; C68-F84 HydrophobicContact CB-CG 4.44Å; C68-L85 WeakPolarHBondContact CB-O 3.45Å; C68-L85 PolarHBondContact N-O 3.05Å; C68-H86 VanDerWaalsContact CB-CD2 3.42Å; C68-H86 WeakPolarHBondContact CB-CD2 3.46Å
69K90Very high88.2Confident123 Ų12377.9 Ų77.954%0.53541%0.411SS..THydrogen-bonded Turntrans-55.6-31.6174.3-178.3-179175.4-175.40113.5V67V67-K69 PolarHBondContact O-N 3.43Å; V67-K69 VanDerWaalsContact O-N 3.16Å
70H91Very high88Confident105 Ų10578.2 Ų78.249%0.48641%0.414SS..THydrogen-bonded Turntrans-80.1-34.9-179.2-59.8100.9000112.4C68 L72 R73 G74 L75 C76C68-H70 PolarHBondContact O-N 2.82Å; C68-H70 VanDerWaalsContact O-N 3.16Å; H70-L72 VanDerWaalsContact C-N 3.35Å; H70-R73 PolarHBondContact O-N 3.24Å; H70-R73 VanDerWaalsContact O-N 3.16Å; H70-G74 PolarHBondContact O-N 3.16Å; H70-L75 PolarHBondContact O-N 3.18Å; H70-C76 HydrophobicContact CB-CB 4.21Å
71W91.5Very high87.9Confident56 Ų5683.7 Ų83.721%0.21244%0.438CS..G310 helixtrans-65.5-38.2175.5173.177.5000111.8V67 C68 R73 G74 C76 H86 E87V67-W71 HydrophobicContact CG1-CE3 4.21Å; V67-W71 HydrophobicContact CG1-CZ3 4.32Å; C68-W71 HydrophobicContact CB-CB 3.68Å; C68-W71 PolarHBondContact O-N 3Å; C68-W71 PolarHBondContact SG-N 3.22Å; C68-W71 VanDerWaalsContact SG-N 3.38Å; W71-R73 PolarHBondContact O-N 3.42Å; W71-G74 PolarHBondContact O-N 3.22Å; W71-C76 HydrophobicContact CB-CB 4.18Å; W71-H86 VanDerWaalsContact CB-CD2 3.46Å; W71-H86 WeakPolarHBondContact CB-CD2 3.48Å; W71-H86 AromaticContact CD1-CD2 3.94Å; W71-H86 AromaticContact CD1-CE1 3.98Å; W71-H86 AromaticContact CD1-CG 3.41Å; W71-H86 VanDerWaalsContact CD1-CG 3.41Å; W71-H86 AromaticContact CD1-ND1 3.44Å; W71-H86 HydrophobicContact CD2-CB 3.87Å; W71-H86 HydrophobicContact CG-CB 3.79Å; W71-H86 AromaticContact CG-CD2 3.63Å; W71-H86 AromaticContact CG-CG 3.51Å; W71-H86 AromaticContact CG-ND1 3.93Å; W71-H86 VanDerWaalsContact CZ2-O 3.29Å; W71-H86 WeakPolarHBondContact CZ2-O 3.46Å; W71-H86 AromaticContact NE1-CG 3.95Å; W71-E87 VanDerWaalsContact CZ3-O 3.3Å; W71-E87 WeakPolarHBondContact CZ3-O 3.3Å
72L88Confident88.3Confident67 Ų6780.4 Ų80.435%0.35142%0.415SS..G310 helixtrans-57.3-20.4173.5-67.6172.9000113.9V67 C68 H70 Y88 M93V67-L72 HydrophobicContact CG1-CD1 3.96Å; V67-L72 HydrophobicContact CG1-CD2 3.97Å; V67-L72 HydrophobicContact CG1-CG 3.91Å; C68-L72 PolarHBondContact O-N 2.91Å; H70-L72 VanDerWaalsContact C-N 3.35Å; L72-Y88 HydrophobicContact CD2-CD2 3.91Å; L72-Y88 HydrophobicContact CD2-CE2 4.33Å; L72-M93 HydrophobicContact CD1-CE 3.7Å; L72-M93 HydrophobicContact CD1-SD 3.48Å; L72-M93 WeakPolarHBondContact CD1-SD 3.42Å; L72-M93 HydrophobicContact CD2-CE 4.3Å
73R87.7Confident88.7Confident178 Ų17883.4 Ų83.467%0.67241%0.411SS*.G310 helixtrans-104.80.4176.3-61.6-179.7179.1-172.8-4.3113.2H70 W71 L75H70-R73 PolarHBondContact O-N 3.24Å; H70-R73 VanDerWaalsContact O-N 3.16Å; W71-R73 PolarHBondContact O-N 3.42Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 HydrophobicContact CB-CD1 4.15Å; R73-L75 HydrophobicContact CB-CG 4.18Å; R73-L75 PolarHBondContact O-N 3.48Å
74G88.6Confident89.2Confident68 Ų6877.4 Ų77.470%0.70138%0.382SS*.THydrogen-bonded Turntrans69.521.5-173.400000114.4H70 W71H70-G74 PolarHBondContact O-N 3.16Å; W71-G74 PolarHBondContact O-N 3.22Å
75L90.6Very high89.3Confident116 Ų11676.2 Ų76.261%0.60738%0.377SS*.  trans-113.713.6-173.4-61.8176.9000113.3H70 R73 K77H70-L75 PolarHBondContact O-N 3.18Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 HydrophobicContact CB-CD1 4.15Å; R73-L75 HydrophobicContact CB-CG 4.18Å; R73-L75 PolarHBondContact O-N 3.48Å; L75-K77 PolarHBondContact O-N 3.38Å
76C91Very high89.4Confident9 Ų971.7 Ų71.76%0.06135%0.348CS..  trans-74.6113.7179.2-167.80000110.5H70 W71 C82 H86H70-C76 HydrophobicContact CB-CB 4.21Å; W71-C76 HydrophobicContact CB-CB 4.18Å; C76-C82 VanDerWaalsContact SG-SG 3.68Å; C76-H86 PolarHBondContact SG-CE1 3.4Å; C76-H86 PolarHBondContact SG-NE2 3.43Å
77K88.8Confident89.3Confident198 Ų19873.8 Ų73.886%0.86135%0.354SS*.SBendtrans-83.3-16.7175.3-60.2-174.8179.3-172.60113.7L75 G79L75-K77 PolarHBondContact O-N 3.38Å; K77-G79 VanDerWaalsContact C-N 3.3Å
78K88.7Confident89.1Confident91 Ų9181.9 Ų81.940%0.39639%0.386SS..SBendtrans-78.3-14.8-177.3-66.1-172-74.1-1580112.8D80 Q81 C82 E83K78-D80 PolarHBondContact O-N 2.68Å; K78-Q81 WeakPolarHBondContact O-CA 3.41Å; K78-Q81 WeakPolarHBondContact O-CB 2.83Å; K78-Q81 PolarHBondContact O-N 3.15Å; K78-C82 HydrophobicContact CB-CB 3.82Å; K78-E83 IonicContact NZ-OE1 2.69Å; K78-E83 PolarHBondContact NZ-OE1 3.19Å
79G85.3Confident88.9Confident5 Ų583.8 Ų83.85%0.05240%0.396CS..G310 helixtrans49.1-122.1-179.500000112.3D34 K77 Q81 C82 H86D34-G79 VanDerWaalsContact OD1-CA 3.3Å; D34-G79 WeakPolarHBondContact OD1-CA 2.93Å; K77-G79 VanDerWaalsContact C-N 3.3Å; G79-Q81 VanDerWaalsContact C-N 3.31Å; G79-Q81 PolarHBondContact O-N 3.2Å; G79-C82 VanDerWaalsContact O-CB 3.3Å; G79-C82 WeakPolarHBondContact O-CB 3.39Å; G79-C82 PolarHBondContact O-N 2.71Å; G79-H86 PolarHBondContact O-CE1 3.46Å
80D85.4Confident88.4Confident26 Ų2680.8 Ų80.814%0.13939%0.385CS..G310 helixtrans-73.2-20.4180-66.9-7.9000114.1K35 R58 H59 K78 C82K35-D80 WeakPolarHBondContact CE-OD2 3.24Å; K35-D80 IonicContact NZ-OD2 2.65Å; K35-D80 PolarHBondContact NZ-OD2 3.27Å; R58-D80 WeakPolarHBondContact CA-OD2 3.42Å; R58-D80 IonicContact CZ-OD1 3.34Å; R58-D80 IonicContact NH1-OD1 3.34Å; R58-D80 PolarHBondContact NH1-OD1 3.49Å; R58-D80 IonicContact NH2-OD1 2.68Å; H59-D80 PolarHBondContact N-OD2 3.3Å; H59-D80 WeakPolarHBondContact O-CB 3.48Å; K78-D80 PolarHBondContact O-N 2.68Å; D80-C82 PolarHBondContact O-N 3.28Å
81Q86.7Confident87.9Confident177 Ų17780.7 Ų80.783%0.82739%0.392SS*.G310 helixtrans-85.98.2177-59.1174.812.400112K78 G79 E83K78-Q81 WeakPolarHBondContact O-CA 3.41Å; K78-Q81 WeakPolarHBondContact O-CB 2.83Å; K78-Q81 PolarHBondContact O-N 3.15Å; G79-Q81 VanDerWaalsContact C-N 3.31Å; G79-Q81 PolarHBondContact O-N 3.2Å; Q81-E83 PolarHBondContact O-N 3.29Å
82C90.3Very high87.6Confident6 Ų681.9 Ų81.94%0.04140%0.398CS..  trans-69.5127.4176.3-166.60000110.4K64 C68 C76 K78 G79 D80 F84 H86K64-C82 WeakPolarHBondContact CD-O 3.39Å; C68-C82 VanDerWaalsContact SG-SG 3.62Å; C76-C82 VanDerWaalsContact SG-SG 3.68Å; K78-C82 HydrophobicContact CB-CB 3.82Å; G79-C82 VanDerWaalsContact O-CB 3.3Å; G79-C82 WeakPolarHBondContact O-CB 3.39Å; G79-C82 PolarHBondContact O-N 2.71Å; D80-C82 PolarHBondContact O-N 3.28Å; C82-F84 PolarHBondContact O-N 3.12Å; C82-H86 WeakPolarHBondContact CB-NE2 3.31Å; C82-H86 PolarHBondContact SG-NE2 3.45Å; C82-H86 VanDerWaalsContact SG-NE2 3.37Å
83E90.8Very high87.3Confident130 Ų13080.5 Ų80.561%0.60739%0.39SS*.SBendtrans-64.9-13.2172.870.5-159116.800113.7K78 Q81K78-E83 IonicContact NZ-OE1 2.69Å; K78-E83 PolarHBondContact NZ-OE1 3.19Å; Q81-E83 PolarHBondContact O-N 3.29Å
84F91.9Very high87Confident74 Ų7474.5 Ų74.533%0.32538%0.375SS..SBendtrans-108.6148.9-177-60.1-74.4000111.7V66 C68 C82 H86V66-F84 HydrophobicContact CB-CD1 4.35Å; V66-F84 CarbonylContact O-C 3.59Å; V66-F84 WeakPolarHBondContact O-CA 3.42Å; C68-F84 VanDerWaalsContact CA-CB 3.45Å; C68-F84 HydrophobicContact CB-CB 3.43Å; C68-F84 VanDerWaalsContact CB-CB 3.43Å; C68-F84 HydrophobicContact CB-CG 4.44Å; C82-F84 PolarHBondContact O-N 3.12Å; F84-H86 PolarHBondContact O-CD2 3.37Å; F84-H86 PolarHBondContact O-N 3.35Å
85L90Very high86.3Confident8 Ų879.1 Ų79.14%0.04238%0.378CS..BIsolated β-bridgetrans-66.6128.4-175.3-171.170000111.4K64 V66 V67 C68 E87 K92K64-L85 HydrophobicContact CB-CB 3.85Å; K64-L85 HydrophobicContact CB-CD1 3.89Å; V66-L85 WeakPolarHBondContact O-CB 3.38Å; V66-L85 PolarHBondContact O-N 3.36Å; V67-L85 CarbonylContact C-O 3.58Å; V67-L85 WeakPolarHBondContact CA-O 3.44Å; V67-L85 HydrophobicContact CG2-CD2 4.28Å; C68-L85 WeakPolarHBondContact CB-O 3.45Å; C68-L85 PolarHBondContact N-O 3.05Å; L85-E87 VanDerWaalsContact C-N 3.3Å; L85-E87 HydrophobicContact CD1-CB 4.28Å; L85-E87 HydrophobicContact CD1-CG 3.91Å; L85-E87 HydrophobicContact CD2-CB 3.89Å; L85-E87 HydrophobicContact CD2-CG 4.4Å; L85-E87 HydrophobicContact CG-CB 3.76Å; L85-E87 HydrophobicContact CG-CG 3.95Å; L85-E87 PolarHBondContact O-N 3.33Å; L85-K92 HydrophobicContact CD2-CD 3.66Å
86H89.7Confident85.4Confident16 Ų1675.6 Ų75.67%0.07436%0.363CS..  trans-98.853.5173.4-74.3-167.6000109.7C68 W71 C76 G79 C82 F84C68-H86 VanDerWaalsContact CB-CD2 3.42Å; C68-H86 WeakPolarHBondContact CB-CD2 3.46Å; W71-H86 VanDerWaalsContact CB-CD2 3.46Å; W71-H86 WeakPolarHBondContact CB-CD2 3.48Å; W71-H86 AromaticContact CD1-CD2 3.94Å; W71-H86 AromaticContact CD1-CE1 3.98Å; W71-H86 AromaticContact CD1-CG 3.41Å; W71-H86 VanDerWaalsContact CD1-CG 3.41Å; W71-H86 AromaticContact CD1-ND1 3.44Å; W71-H86 HydrophobicContact CD2-CB 3.87Å; W71-H86 HydrophobicContact CG-CB 3.79Å; W71-H86 AromaticContact CG-CD2 3.63Å; W71-H86 AromaticContact CG-CG 3.51Å; W71-H86 AromaticContact CG-ND1 3.93Å; W71-H86 VanDerWaalsContact CZ2-O 3.29Å; W71-H86 WeakPolarHBondContact CZ2-O 3.46Å; W71-H86 AromaticContact NE1-CG 3.95Å; C76-H86 PolarHBondContact SG-CE1 3.4Å; C76-H86 PolarHBondContact SG-NE2 3.43Å; G79-H86 PolarHBondContact O-CE1 3.46Å; C82-H86 WeakPolarHBondContact CB-NE2 3.31Å; C82-H86 PolarHBondContact SG-NE2 3.45Å; C82-H86 VanDerWaalsContact SG-NE2 3.37Å; F84-H86 PolarHBondContact O-CD2 3.37Å; F84-H86 PolarHBondContact O-N 3.35Å
87E87.6Confident84.4Confident96 Ų9682.6 Ų82.645%0.44939%0.389SS..SBendtrans-134.9147.4177.1-62.8171.9-166.900108.6V67 W71 L85 D89V67-E87 WeakPolarHBondContact CG1-O 3.28Å; V67-E87 WeakPolarHBondContact CG2-O 3.48Å; W71-E87 VanDerWaalsContact CZ3-O 3.3Å; W71-E87 WeakPolarHBondContact CZ3-O 3.3Å; L85-E87 VanDerWaalsContact C-N 3.3Å; L85-E87 HydrophobicContact CD1-CB 4.28Å; L85-E87 HydrophobicContact CD1-CG 3.91Å; L85-E87 HydrophobicContact CD2-CB 3.89Å; L85-E87 HydrophobicContact CD2-CG 4.4Å; L85-E87 HydrophobicContact CG-CB 3.76Å; L85-E87 HydrophobicContact CG-CG 3.95Å; L85-E87 PolarHBondContact O-N 3.33Å; E87-D89 VanDerWaalsContact C-N 3.3Å; E87-D89 PolarHBondContact O-N 2.79Å
88Y87.3Confident83.2Confident171 Ų17177.5 Ų77.567%0.67137%0.367SS*.  trans-86.775.6-179.9-170.7-98.3000109.8L72 M90L72-Y88 HydrophobicContact CD2-CD2 3.91Å; L72-Y88 HydrophobicContact CD2-CE2 4.33Å; Y88-M90 HydrophobicContact CD1-CE 3.75Å; Y88-M90 HydrophobicContact CD2-CE 3.6Å; Y88-M90 HydrophobicContact CE1-CE 3.43Å; Y88-M90 VanDerWaalsContact CE1-CE 3.43Å; Y88-M90 HydrophobicContact CE1-CG 4.26Å; Y88-M90 HydrophobicContact CE1-SD 4.01Å; Y88-M90 HydrophobicContact CE2-CE 3.27Å; Y88-M90 HydrophobicContact CE2-SD 4.25Å; Y88-M90 HydrophobicContact CG-CE 3.82Å; Y88-M90 PolarHBondContact OH-SD 3.15Å
89D86Confident82.1Confident39 Ų3978.9 Ų78.921%0.20937%0.37CS..  trans-110.7112.5175.8-174.1-10.6000110.7V67 E87 T91 K92 M93V67-D89 HydrophobicContact CG2-CB 4.36Å; V67-D89 WeakPolarHBondContact CG2-O 3.4Å; E87-D89 VanDerWaalsContact C-N 3.3Å; E87-D89 PolarHBondContact O-N 2.79Å; D89-T91 VanDerWaalsContact CG-OG1 3.24Å; D89-T91 PolarHBondContact O-N 2.76Å; D89-T91 WeakPolarHBondContact OD1-CB 3.34Å; D89-T91 PolarHBondContact OD1-N 2.88Å; D89-T91 PolarHBondContact OD1-OG1 2.8Å; D89-T91 PolarHBondContact OD2-OG1 3.4Å; D89-K92 HydrophobicContact CB-CB 4.25Å; D89-K92 HydrophobicContact CB-CD 4.35Å; D89-K92 HydrophobicContact CB-CG 4.48Å; D89-K92 PolarHBondContact O-N 2.93Å; D89-K92 VanDerWaalsContact OD2-CD 3.24Å; D89-K92 WeakPolarHBondContact OD2-CD 3.43Å; D89-K92 WeakPolarHBondContact OD2-CE 3.38Å; D89-K92 WeakPolarHBondContact OD2-CG 3.47Å; D89-K92 IonicContact OD2-NZ 3.72Å; D89-M93 PolarHBondContact O-N 3.33Å
90M80.1Confident81.4Confident60 Ų6082.8 Ų82.830%0.29640%0.397SS..SBendtrans-70.6-20.3-179.2-63.5-58.193.100113.4Y88 M93 R113Y88-M90 HydrophobicContact CD1-CE 3.75Å; Y88-M90 HydrophobicContact CD2-CE 3.6Å; Y88-M90 HydrophobicContact CE1-CE 3.43Å; Y88-M90 VanDerWaalsContact CE1-CE 3.43Å; Y88-M90 HydrophobicContact CE1-CG 4.26Å; Y88-M90 HydrophobicContact CE1-SD 4.01Å; Y88-M90 HydrophobicContact CE2-CE 3.27Å; Y88-M90 HydrophobicContact CE2-SD 4.25Å; Y88-M90 HydrophobicContact CG-CE 3.82Å; Y88-M90 PolarHBondContact OH-SD 3.15Å; M90-M93 HydrophobicContact CE-CE 3.18Å; M90-M93 HydrophobicContact SD-CE 3.96Å; M90-R113 PolarHBondContact O-NH2 3.41Å
91T80.8Confident80.3Confident104 Ų10488 Ų8864%0.63842%0.419SS*.SBendtrans-75.1-34.7178.371.20000111.1D89D89-T91 VanDerWaalsContact CG-OG1 3.24Å; D89-T91 PolarHBondContact O-N 2.76Å; D89-T91 WeakPolarHBondContact OD1-CB 3.34Å; D89-T91 PolarHBondContact OD1-N 2.88Å; D89-T91 PolarHBondContact OD1-OG1 2.8Å; D89-T91 PolarHBondContact OD2-OG1 3.4Å
92K84.5Confident79.3Confident81 Ų8185 Ų8535%0.35240%0.403SS..SBendtrans-93.19.3179.2-65.2178.2-167.7170.90114T65 V66 V67 L85 D89T65-K92 VanDerWaalsContact O-CB 3.26Å; T65-K92 WeakPolarHBondContact O-CB 3.5Å; T65-K92 WeakPolarHBondContact O-CD 3.24Å; T65-K92 VanDerWaalsContact O-CG 3.29Å; T65-K92 WeakPolarHBondContact O-CG 3.21Å; V66-K92 WeakPolarHBondContact CA-O 3.37Å; V67-K92 HydrophobicContact CG2-CB 3.99Å; V67-K92 PolarHBondContact N-O 3.38Å; L85-K92 HydrophobicContact CD2-CD 3.66Å; D89-K92 HydrophobicContact CB-CB 4.25Å; D89-K92 HydrophobicContact CB-CD 4.35Å; D89-K92 HydrophobicContact CB-CG 4.48Å; D89-K92 PolarHBondContact O-N 2.93Å; D89-K92 VanDerWaalsContact OD2-CD 3.24Å; D89-K92 WeakPolarHBondContact OD2-CD 3.43Å; D89-K92 WeakPolarHBondContact OD2-CE 3.38Å; D89-K92 WeakPolarHBondContact OD2-CG 3.47Å; D89-K92 IonicContact OD2-NZ 3.72Å
93M82.1Confident78.1Confident37 Ų3785.7 Ų85.718%0.18241%0.412CS..PPolyproline II helixtrans-67.6131.5179.3-172.266.657.500110.2V67 L72 D89 M90V67-M93 HydrophobicContact CG1-CE 4.49Å; L72-M93 HydrophobicContact CD1-CE 3.7Å; L72-M93 HydrophobicContact CD1-SD 3.48Å; L72-M93 WeakPolarHBondContact CD1-SD 3.42Å; L72-M93 HydrophobicContact CD2-CE 4.3Å; D89-M93 PolarHBondContact O-N 3.33Å; M90-M93 HydrophobicContact CE-CE 3.18Å; M90-M93 HydrophobicContact SD-CE 3.96Å
94P80.4Confident76.8Confident52 Ų5285 Ų8534%0.33842%0.418SS..PPolyproline II helixtrans-58.7148.2176.623.8-34.8000111.7V66V66-P94 HydrophobicContact CG1-CB 3.86Å; V66-P94 HydrophobicContact CG1-CG 4.24Å
95E74.4Confident75.2Confident165 Ų16588.7 Ų88.777%0.77144%0.441SS*.PPolyproline II helixtrans-63151176.8-62.2-170.415200111.7Y97E95-Y97 PolarHBondContact O-N 3.37Å; E95-Y97 VanDerWaalsContact O-N 3.15Å
96C71.6Confident73.5Confident43 Ų4389.2 Ų89.229%0.29145%0.445SS..  trans-70.3114.5173.3-175.80000109.4F98 Y99 S100 H110C96-F98 PolarHBondContact O-N 3.21Å; C96-F98 VanDerWaalsContact O-N 3.12Å; C96-Y99 WeakPolarHBondContact O-CA 3.37Å; C96-Y99 WeakPolarHBondContact O-CB 3.47Å; C96-Y99 PolarHBondContact O-N 3.04Å; C96-S100 PolarHBondContact O-N 3.34Å; C96-H110 VanDerWaalsContact SG-CD2 3.52Å
97Y68.9Low71.5Confident155 Ų15599.9 Ų99.961%0.60848%0.484SS*.Hα-helixtrans-48.4-41.5177.2178.3-97.8000113.5E95 S100 K101E95-Y97 PolarHBondContact O-N 3.37Å; E95-Y97 VanDerWaalsContact O-N 3.15Å; Y97-S100 PolarHBondContact O-N 3.14Å; Y97-K101 PolarHBondContact O-N 3.06Å; Y97-K101 VanDerWaalsContact O-N 3.14Å
98F64.7Low69.9Low92 Ų92100.7 Ų100.740%0.40449%0.488SS..Hα-helixtrans-74-30.2-179.5-63.8-79.1000112.9C96 F102 C106C96-F98 PolarHBondContact O-N 3.21Å; C96-F98 VanDerWaalsContact O-N 3.12Å; F98-F102 HydrophobicContact CB-CD2 4.49Å; F98-F102 HydrophobicContact CD1-CD2 4.31Å; F98-F102 HydrophobicContact CD1-CE2 4.12Å; F98-F102 WeakPolarHBondContact O-CB 3.33Å; F98-F102 WeakPolarHBondContact O-CD2 3.43Å; F98-F102 PolarHBondContact O-N 3.37Å; F98-C106 HydrophobicContact CB-CB 4.02Å; F98-C106 WeakPolarHBondContact CB-SG 3.49Å
99Y66.3Low68Low119 Ų119102.8 Ų102.847%0.46750%0.495SS..Hα-helixtrans-70-40.9171.5-170.4-102.5000111.1C96 K101 G103 H110C96-Y99 WeakPolarHBondContact O-CA 3.37Å; C96-Y99 WeakPolarHBondContact O-CB 3.47Å; C96-Y99 PolarHBondContact O-N 3.04Å; Y99-K101 VanDerWaalsContact C-N 3.25Å; Y99-K101 PolarHBondContact O-N 2.73Å; Y99-G103 WeakPolarHBondContact CD2-O 3.32Å; Y99-G103 WeakPolarHBondContact O-CA 3.33Å; Y99-G103 PolarHBondContact O-N 3.19Å; Y99-H110 AromaticContact CD2-CE1 3.59Å; Y99-H110 AromaticContact CD2-ND1 3.79Å; Y99-H110 AromaticContact CD2-NE2 3.87Å
100S69.8Low67Low88 Ų88103.5 Ų103.562%0.61550%0.496SS*.Hα-helixtrans-59.5-36.5175.4-179.20000112C96 Y97C96-S100 PolarHBondContact O-N 3.34Å; Y97-S100 PolarHBondContact O-N 3.14Å
101K62.6Low65.8Low135 Ų135104.7 Ų104.759%0.58751%0.507SS*.Hα-helixtrans-90.7-38.3-177.5-169.3172-176.4177.40115.6Y97 Y99Y97-K101 PolarHBondContact O-N 3.06Å; Y97-K101 VanDerWaalsContact O-N 3.14Å; Y99-K101 VanDerWaalsContact C-N 3.25Å; Y99-K101 PolarHBondContact O-N 2.73Å
102F65.3Low64.5Low113 Ų113109.9 Ų109.950%0.49652%0.515SS..Hα-helixtrans-113.32.9-174.1-58.6-76.7000113.1F98 L105F98-F102 HydrophobicContact CB-CD2 4.49Å; F98-F102 HydrophobicContact CD1-CD2 4.31Å; F98-F102 HydrophobicContact CD1-CE2 4.12Å; F98-F102 WeakPolarHBondContact O-CB 3.33Å; F98-F102 WeakPolarHBondContact O-CD2 3.43Å; F98-F102 PolarHBondContact O-N 3.37Å; F102-L105 WeakPolarHBondContact O-CB 3.24Å; F102-L105 PolarHBondContact O-N 3.12Å
103G64.6Low63.6Low22 Ų22112.3 Ų112.323%0.22752%0.522CS..G310 helixtrans55.2-138-178.500000112.2Y99 L105 C106Y99-G103 WeakPolarHBondContact CD2-O 3.32Å; Y99-G103 WeakPolarHBondContact O-CA 3.33Å; Y99-G103 PolarHBondContact O-N 3.19Å; G103-L105 PolarHBondContact O-N 3.44Å; G103-C106 PolarHBondContact O-N 3.35Å
104P65Low62.9Low114 Ų114115.2 Ų115.274%0.7454%0.541SS*.G310 helixtrans-65.2-10-176.128.2-34.9000114.1C106P104-C106 VanDerWaalsContact C-N 3.28Å; P104-C106 PolarHBondContact O-N 2.87Å
105L58.1Low62.6Low153 Ų153115.6 Ų115.680%0.80154%0.54SS*.G310 helixtrans-84.13179.6-61.6173.8000113.7F102 G103 R107F102-L105 WeakPolarHBondContact O-CB 3.24Å; F102-L105 PolarHBondContact O-N 3.12Å; G103-L105 PolarHBondContact O-N 3.44Å; L105-R107 PolarHBondContact O-N 3.47Å
106C54.6Low63Low18 Ų18107.9 Ų107.912%0.12250%0.504CS..  trans-66.6123179.3169.80000111.5F98 G103 P104 H108 H110F98-C106 HydrophobicContact CB-CB 4.02Å; F98-C106 WeakPolarHBondContact CB-SG 3.49Å; G103-C106 PolarHBondContact O-N 3.35Å; P104-C106 VanDerWaalsContact C-N 3.28Å; P104-C106 PolarHBondContact O-N 2.87Å; C106-H108 PolarHBondContact O-N 3.18Å; C106-H108 PolarHBondContact SG-N 2.66Å; C106-H110 VanDerWaalsContact CB-CE1 3.4Å; C106-H110 WeakPolarHBondContact CB-CE1 3.24Å; C106-H110 WeakPolarHBondContact CB-NE2 3.33Å; C106-H110 PolarHBondContact SG-NE2 3.23Å
107R46.8Very low63.8Low241 Ų241110.6 Ų110.691%0.90952%0.519SS*.  trans-68.1-8.9-179-171.8171.5173.9177.3-0.2114.1L105L105-R107 PolarHBondContact O-N 3.47Å
108H52.9Low64.7Low112 Ų112107 Ų10752%0.51951%0.511SS..SBendtrans-102148.1-176-63.4-70.3000112.4C106 H110C106-H108 PolarHBondContact O-N 3.18Å; C106-H108 PolarHBondContact SG-N 2.66Å; H108-H110 PolarHBondContact O-CE1 2.93Å; H108-H110 PolarHBondContact O-N 3.41Å; H108-H110 PolarHBondContact O-NE2 2.86Å
109R49.2Very low65.6Low216 Ų216106 Ų10682%0.81551%0.505SS*.  trans-64.3107177.3-176.4-178.6177.6-137.70.9110.1
110H63.9Low66.5Low53 Ų53105 Ų10525%0.24551%0.507CS..  trans-70.2154.6167.8-50.8117.8000110.3C96 Y99 C106 H108 R112C96-H110 VanDerWaalsContact SG-CD2 3.52Å; Y99-H110 AromaticContact CD2-CE1 3.59Å; Y99-H110 AromaticContact CD2-ND1 3.79Å; Y99-H110 AromaticContact CD2-NE2 3.87Å; C106-H110 VanDerWaalsContact CB-CE1 3.4Å; C106-H110 WeakPolarHBondContact CB-CE1 3.24Å; C106-H110 WeakPolarHBondContact CB-NE2 3.33Å; C106-H110 PolarHBondContact SG-NE2 3.23Å; H108-H110 PolarHBondContact O-CE1 2.93Å; H108-H110 PolarHBondContact O-N 3.41Å; H108-H110 PolarHBondContact O-NE2 2.86Å; H110-R112 PolarHBondContact O-N 3.41Å
111T55.7Low67.3Low85 Ų85106.6 Ų106.652%0.52151%0.513SS..  trans-53.9108.2168.4-54.90000107.7R113T111-R113 PolarHBondContact O-N 3.48Å
112R53.8Low68.4Low214 Ų214103.1 Ų103.181%0.80852%0.515SS*.  trans-72.779-170.5-160.3-172.2-143.4144.44.4108.7H110 V114H110-R112 PolarHBondContact O-N 3.41Å; R112-V114 PolarHBondContact O-N 3.06Å
113R64.3Low69.6Low131 Ų131105 Ų10549%0.49452%0.524SS..PPolyproline II helixtrans-69.1129.2168.5-62-176172.8179.9-2.3107.3M90 T111 I115 M133M90-R113 PolarHBondContact O-NH2 3.41Å; T111-R113 PolarHBondContact O-N 3.48Å; R113-I115 PolarHBondContact O-N 3.28Å; R113-M133 HydrophobicContact CB-CB 3.66Å; R113-M133 HydrophobicContact CB-CE 4.25Å; R113-M133 HydrophobicContact CB-CG 4.26Å; R113-M133 HydrophobicContact CB-SD 3.77Å; R113-M133 HydrophobicContact CG-SD 4.42Å
114V68.6Low70.8Confident98 Ų98104.3 Ų104.359%0.59452%0.515SS*.PPolyproline II helixtrans-65.4124.8176.6176.40000107.6R112 F132 M133R112-V114 PolarHBondContact O-N 3.06Å; V114-F132 HydrophobicContact CB-CD1 3.97Å; V114-F132 HydrophobicContact CB-CE1 4.4Å; V114-F132 HydrophobicContact CG1-CD1 3.84Å; V114-F132 HydrophobicContact CG1-CE1 4.06Å; V114-M133 PolarHBondContact O-N 2.92Å
115I74.2Confident72.1Confident60 Ų60103.4 Ų103.431%0.30851%0.509SS..BIsolated β-bridgetrans-67.1139.9178.2-166.9162.9000109.8R113 V117 L120 M133 P135R113-I115 PolarHBondContact O-N 3.28Å; I115-V117 PolarHBondContact O-N 3.25Å; I115-L120 HydrophobicContact CD1-CB 4.43Å; I115-L120 HydrophobicContact CD1-CD1 3.9Å; I115-L120 HydrophobicContact CD1-CD2 4.41Å; I115-L120 HydrophobicContact CD1-CG 4.48Å; I115-L120 HydrophobicContact CG2-CD2 4.46Å; I115-M133 WeakPolarHBondContact CA-O 3.04Å; I115-P135 HydrophobicContact CD1-CG 3.85Å; I115-P135 HydrophobicContact CG1-CG 4.48Å
116C81.2Confident73.5Confident3 Ų3100.1 Ų100.12%0.0249%0.49CS..PPolyproline II helixtrans-69.3117.5173.4-176.10000109.2N118 Y119 L120 F132 M133 H134C116-N118 VanDerWaalsContact C-N 3.28Å; C116-N118 PolarHBondContact O-N 2.92Å; C116-Y119 PolarHBondContact O-N 3.33Å; C116-Y119 PolarHBondContact SG-N 3.42Å; C116-Y119 VanDerWaalsContact SG-N 3.42Å; C116-L120 WeakPolarHBondContact O-CB 3.33Å; C116-L120 PolarHBondContact O-N 3.42Å; C116-F132 VanDerWaalsContact CA-CB 3.49Å; C116-F132 HydrophobicContact CB-CB 3.56Å; C116-M133 PolarHBondContact N-O 3.29Å; C116-H134 WeakPolarHBondContact CB-CD2 3.4Å; C116-H134 VanDerWaalsContact CB-NE2 3.32Å; C116-H134 WeakPolarHBondContact CB-NE2 3.21Å; C116-H134 PolarHBondContact SG-NE2 3.19Å; C116-H134 VanDerWaalsContact SG-NE2 3.39Å
117V88.6Confident74.8Confident100 Ų100100.5 Ų100.561%0.60650%0.496SS*.Hα-helixtrans-60.9-41.2177.6-178.10000110.6I115 L120 V121I115-V117 PolarHBondContact O-N 3.25Å; V117-L120 WeakPolarHBondContact O-CB 3.48Å; V117-L120 PolarHBondContact O-N 3.39Å; V117-V121 PolarHBondContact O-N 3.15Å
118N87.7Confident76.4Confident80 Ų8095.8 Ų95.843%0.42850%0.497SS..Hα-helixtrans-62.3-45.8178.3-65.1-14.2000111.7C116 L120 V121 G122 F123 C124C116-N118 VanDerWaalsContact C-N 3.28Å; C116-N118 PolarHBondContact O-N 2.92Å; N118-L120 VanDerWaalsContact C-N 3.33Å; N118-L120 PolarHBondContact O-N 3.49Å; N118-V121 WeakPolarHBondContact O-CG2 3.3Å; N118-V121 PolarHBondContact O-N 3.46Å; N118-G122 PolarHBondContact O-N 3.07Å; N118-F123 CarbonylContact C-O 3.27Å; N118-F123 WeakPolarHBondContact CB-O 3.46Å; N118-F123 CarbonylContact O-C 3.6Å; N118-F123 VanDerWaalsContact O-C 3.27Å; N118-F123 PolarHBondContact O-N 3.46Å; N118-C124 HydrophobicContact CB-CB 4.13Å
119Y84.9Confident77.8Confident70 Ų7095.4 Ų95.428%0.27551%0.507SS..Hα-helixtrans-67.6-35.2176.8-168.5-91000112.4C116 V121 G122 C124 H134 P135 F137C116-Y119 PolarHBondContact O-N 3.33Å; C116-Y119 PolarHBondContact SG-N 3.42Å; C116-Y119 VanDerWaalsContact SG-N 3.42Å; Y119-V121 VanDerWaalsContact C-N 3.27Å; Y119-V121 PolarHBondContact O-N 3.3Å; Y119-G122 WeakPolarHBondContact O-CA 3.11Å; Y119-G122 PolarHBondContact O-N 3.25Å; Y119-C124 HydrophobicContact CD2-CB 4.3Å; Y119-H134 WeakPolarHBondContact CB-CD2 3.4Å; Y119-H134 WeakPolarHBondContact CB-NE2 3.41Å; Y119-H134 HydrophobicContact CD1-CB 3.75Å; Y119-H134 AromaticContact CD1-CG 3.97Å; Y119-H134 HydrophobicContact CD2-CB 3.81Å; Y119-H134 AromaticContact CD2-CD2 3.7Å; Y119-H134 AromaticContact CD2-CE1 3.71Å; Y119-H134 AromaticContact CD2-CG 3.36Å; Y119-H134 AromaticContact CD2-ND1 3.38Å; Y119-H134 WeakPolarHBondContact CD2-ND1 3.49Å; Y119-H134 AromaticContact CD2-NE2 3.91Å; Y119-H134 HydrophobicContact CE1-CB 3.81Å; Y119-H134 HydrophobicContact CE2-CB 3.88Å; Y119-H134 AromaticContact CE2-CG 3.86Å; Y119-H134 AromaticContact CE2-ND1 3.82Å; Y119-H134 HydrophobicContact CG-CB 3.74Å; Y119-H134 AromaticContact CG-CD2 3.4Å; Y119-H134 AromaticContact CG-CG 3.41Å; Y119-H134 VanDerWaalsContact CG-CG 3.41Å; Y119-H134 AromaticContact CG-ND1 3.91Å; Y119-H134 AromaticContact CG-NE2 3.88Å; Y119-P135 HydrophobicContact CD1-CG 4.12Å; Y119-P135 HydrophobicContact CE1-CG 4.07Å; Y119-P135 WeakPolarHBondContact CE1-O 3.29Å; Y119-P135 PolarHBondContact OH-O 2.94Å; Y119-F137 HydrophobicContact CD1-CE2 4.45Å; Y119-F137 HydrophobicContact CE1-CD2 4.18Å; Y119-F137 AromaticContact CE1-CE2 3.91Å; Y119-F137 HydrophobicContact CE1-CE2 3.91Å
120L84.7Confident79.2Confident100 Ų10086 Ų8652%0.52447%0.474SS..Hα-helixtrans-63.4-33.6176.2-175.363000112I115 C116 V117 N118 G122I115-L120 HydrophobicContact CD1-CB 4.43Å; I115-L120 HydrophobicContact CD1-CD1 3.9Å; I115-L120 HydrophobicContact CD1-CD2 4.41Å; I115-L120 HydrophobicContact CD1-CG 4.48Å; I115-L120 HydrophobicContact CG2-CD2 4.46Å; C116-L120 WeakPolarHBondContact O-CB 3.33Å; C116-L120 PolarHBondContact O-N 3.42Å; V117-L120 WeakPolarHBondContact O-CB 3.48Å; V117-L120 PolarHBondContact O-N 3.39Å; N118-L120 VanDerWaalsContact C-N 3.33Å; N118-L120 PolarHBondContact O-N 3.49Å; L120-G122 PolarHBondContact O-N 2.86Å
121V87.9Confident79.9Confident121 Ų12191.4 Ų91.473%0.73350%0.497SS*.THydrogen-bonded Turntrans-81.42.2172.1-57.90000113.5V117 N118 Y119V117-V121 PolarHBondContact O-N 3.15Å; N118-V121 WeakPolarHBondContact O-CG2 3.3Å; N118-V121 PolarHBondContact O-N 3.46Å; Y119-V121 VanDerWaalsContact C-N 3.27Å; Y119-V121 PolarHBondContact O-N 3.3Å
122G85.4Confident80.9Confident62 Ų6291.3 Ų91.364%0.63949%0.489SS*.THydrogen-bonded Turntrans118-18.5168.900000115.3N118 Y119 L120N118-G122 PolarHBondContact O-N 3.07Å; Y119-G122 WeakPolarHBondContact O-CA 3.11Å; Y119-G122 PolarHBondContact O-N 3.25Å; L120-G122 PolarHBondContact O-N 2.86Å
123F89.6Confident82Confident153 Ų15384.7 Ų84.767%0.67147%0.468SS*.  trans-153.4126.4-176.2179.7-98.2000112.8N118 P125N118-F123 CarbonylContact C-O 3.27Å; N118-F123 WeakPolarHBondContact CB-O 3.46Å; N118-F123 CarbonylContact O-C 3.6Å; N118-F123 VanDerWaalsContact O-C 3.27Å; N118-F123 PolarHBondContact O-N 3.46Å; F123-P125 HydrophobicContact CE1-CB 4.11Å
124C88.9Confident82.6Confident6 Ų680.6 Ų80.64%0.04146%0.455CS..  trans-112.5123.8170.3-179.30000110.3N118 Y119 E126 G127 H134N118-C124 HydrophobicContact CB-CB 4.13Å; Y119-C124 HydrophobicContact CD2-CB 4.3Å; C124-E126 PolarHBondContact O-N 3.12Å; C124-G127 PolarHBondContact O-N 3.29Å; C124-H134 WeakPolarHBondContact CB-CE1 3.34Å; C124-H134 VanDerWaalsContact CB-NE2 3.33Å; C124-H134 WeakPolarHBondContact CB-NE2 3.48Å; C124-H134 PolarHBondContact SG-NE2 3.41Å
125P92.6Very high82.8Confident96 Ų9677.2 Ų77.262%0.62344%0.435SS*.THydrogen-bonded Turntrans-65.5-22.9-179.327.3-35.6000113.3F123 G127F123-P125 HydrophobicContact CE1-CB 4.11Å; P125-G127 PolarHBondContact O-N 3.08Å
126E88.7Confident82.3Confident84 Ų8484.5 Ų84.539%0.39346%0.459SS..THydrogen-bonded Turntrans-75.6-13174.9-61174-160.600112.2C124 S129 C130C124-E126 PolarHBondContact O-N 3.12Å; E126-S129 PolarHBondContact O-N 3.47Å; E126-S129 PolarHBondContact O-OG 3.06Å; E126-C130 HydrophobicContact CB-CB 3.79Å; E126-C130 VanDerWaalsContact OE2-CA 3.24Å; E126-C130 WeakPolarHBondContact OE2-CA 3.4Å; E126-C130 PolarHBondContact OE2-SG 3.19Å
127G82Confident81.4Confident25 Ų2590.3 Ų90.326%0.25848%0.484SS..G310 helixtrans55.2-139.2177.600000113.1C124 P125 S129 C130 H134C124-G127 PolarHBondContact O-N 3.29Å; P125-G127 PolarHBondContact O-N 3.08Å; G127-S129 PolarHBondContact O-N 3.18Å; G127-C130 PolarHBondContact O-N 3.34Å; G127-H134 PolarHBondContact O-CE1 3.16Å; G127-H134 PolarHBondContact O-ND1 3.04Å
128P80.8Confident79.9Confident142 Ų14292.8 Ų92.892%0.92249%0.489SS*.G310 helixtrans-64.6-17.7-179.8-20.432.4000115C130P128-C130 VanDerWaalsContact C-N 3.3Å
129S80.6Confident77.8Confident104 Ų10495.6 Ų95.673%0.72750%0.503SS*.G310 helixtrans-89.27.6179.7570000113.4E126 G127 K131E126-S129 PolarHBondContact O-N 3.47Å; E126-S129 PolarHBondContact O-OG 3.06Å; G127-S129 PolarHBondContact O-N 3.18Å; S129-K131 PolarHBondContact O-N 3.16Å
130C78.9Confident76Confident18 Ų1898.1 Ų98.112%0.12253%0.528CS..  trans-62135.1179.8-169.10000112.5E126 G127 P128 F132 H134E126-C130 HydrophobicContact CB-CB 3.79Å; E126-C130 VanDerWaalsContact OE2-CA 3.24Å; E126-C130 WeakPolarHBondContact OE2-CA 3.4Å; E126-C130 PolarHBondContact OE2-SG 3.19Å; G127-C130 PolarHBondContact O-N 3.34Å; P128-C130 VanDerWaalsContact C-N 3.3Å; C130-F132 PolarHBondContact O-N 3.25Å; C130-F132 PolarHBondContact SG-N 3.37Å; C130-H134 WeakPolarHBondContact CB-CE1 3.18Å; C130-H134 VanDerWaalsContact CB-NE2 3.33Å; C130-H134 WeakPolarHBondContact CB-NE2 3.48Å
131K78.9Confident74.1Confident168 Ų168102 Ų10273%0.7355%0.546SS*.SBendtrans-66.7-16.3175.867.9-173.2176.8-170.10113.8S129S129-K131 PolarHBondContact O-N 3.16Å
132F77.6Confident71.8Confident83 Ų8399 Ų9936%0.36454%0.539SS..SBendtrans-102.8154.2179.5-59.2-68.7000111.1V114 C116 C130 H134V114-F132 HydrophobicContact CB-CD1 3.97Å; V114-F132 HydrophobicContact CB-CE1 4.4Å; V114-F132 HydrophobicContact CG1-CD1 3.84Å; V114-F132 HydrophobicContact CG1-CE1 4.06Å; C116-F132 VanDerWaalsContact CA-CB 3.49Å; C116-F132 HydrophobicContact CB-CB 3.56Å; C130-F132 PolarHBondContact O-N 3.25Å; C130-F132 PolarHBondContact SG-N 3.37Å; F132-H134 PolarHBondContact O-N 3.48Å
133M75.5Confident69.4Low74 Ų74103.2 Ų103.237%0.36555%0.553SS.*BIsolated β-bridgetrans-72.4126.9-176.2-179.8172.968.400111.8R113 V114 I115 C116R113-M133 HydrophobicContact CB-CB 3.66Å; R113-M133 HydrophobicContact CB-CE 4.25Å; R113-M133 HydrophobicContact CB-CG 4.26Å; R113-M133 HydrophobicContact CB-SD 3.77Å; R113-M133 HydrophobicContact CG-SD 4.42Å; V114-M133 PolarHBondContact O-N 2.92Å; I115-M133 WeakPolarHBondContact CA-O 3.04Å; C116-M133 PolarHBondContact N-O 3.29Å
134H78.5Confident67.1Low45 Ų45101.6 Ų101.621%0.20856%0.556CS.*  trans-96.3110.7167.9-66.6174.7000108.9C116 Y119 C124 G127 C130 F132 R136C116-H134 WeakPolarHBondContact CB-CD2 3.4Å; C116-H134 VanDerWaalsContact CB-NE2 3.32Å; C116-H134 WeakPolarHBondContact CB-NE2 3.21Å; C116-H134 PolarHBondContact SG-NE2 3.19Å; C116-H134 VanDerWaalsContact SG-NE2 3.39Å; Y119-H134 WeakPolarHBondContact CB-CD2 3.4Å; Y119-H134 WeakPolarHBondContact CB-NE2 3.41Å; Y119-H134 HydrophobicContact CD1-CB 3.75Å; Y119-H134 AromaticContact CD1-CG 3.97Å; Y119-H134 HydrophobicContact CD2-CB 3.81Å; Y119-H134 AromaticContact CD2-CD2 3.7Å; Y119-H134 AromaticContact CD2-CE1 3.71Å; Y119-H134 AromaticContact CD2-CG 3.36Å; Y119-H134 AromaticContact CD2-ND1 3.38Å; Y119-H134 WeakPolarHBondContact CD2-ND1 3.49Å; Y119-H134 AromaticContact CD2-NE2 3.91Å; Y119-H134 HydrophobicContact CE1-CB 3.81Å; Y119-H134 HydrophobicContact CE2-CB 3.88Å; Y119-H134 AromaticContact CE2-CG 3.86Å; Y119-H134 AromaticContact CE2-ND1 3.82Å; Y119-H134 HydrophobicContact CG-CB 3.74Å; Y119-H134 AromaticContact CG-CD2 3.4Å; Y119-H134 AromaticContact CG-CG 3.41Å; Y119-H134 VanDerWaalsContact CG-CG 3.41Å; Y119-H134 AromaticContact CG-ND1 3.91Å; Y119-H134 AromaticContact CG-NE2 3.88Å; C124-H134 WeakPolarHBondContact CB-CE1 3.34Å; C124-H134 VanDerWaalsContact CB-NE2 3.33Å; C124-H134 WeakPolarHBondContact CB-NE2 3.48Å; C124-H134 PolarHBondContact SG-NE2 3.41Å; G127-H134 PolarHBondContact O-CE1 3.16Å; G127-H134 PolarHBondContact O-ND1 3.04Å; C130-H134 WeakPolarHBondContact CB-CE1 3.18Å; C130-H134 VanDerWaalsContact CB-NE2 3.33Å; C130-H134 WeakPolarHBondContact CB-NE2 3.48Å; F132-H134 PolarHBondContact O-N 3.48Å; H134-R136 PolarHBondContact O-N 3.44Å
135P70.9Confident64.6Low28 Ų28110.7 Ų110.718%0.18260%0.598CS.*  trans-61.6132.9173.325.1-36.1000110.7I115 Y119 F137I115-P135 HydrophobicContact CD1-CG 3.85Å; I115-P135 HydrophobicContact CG1-CG 4.48Å; Y119-P135 HydrophobicContact CD1-CG 4.12Å; Y119-P135 HydrophobicContact CE1-CG 4.07Å; Y119-P135 WeakPolarHBondContact CE1-O 3.29Å; Y119-P135 PolarHBondContact OH-O 2.94Å; P135-F137 HydrophobicContact CB-CE1 4.37Å; P135-F137 HydrophobicContact CB-CE2 4.29Å; P135-F137 HydrophobicContact CB-CZ 4.08Å; P135-F137 HydrophobicContact CG-CD2 4.41Å; P135-F137 HydrophobicContact CG-CE1 4.23Å; P135-F137 HydrophobicContact CG-CE2 3.59Å; P135-F137 HydrophobicContact CG-CZ 3.47Å; P135-F137 VanDerWaalsContact CG-CZ 3.47Å; P135-F137 PolarHBondContact O-N 3.17Å
136R64.8Low62.1Low212 Ų212114.8 Ų114.880%0.861%0.608SS**  trans-78.2103.9171.7-163.4-178.6-178.7126.22.9107.9H134 E138H134-R136 PolarHBondContact O-N 3.44Å; R136-E138 HydrophobicContact CG-CG 4.4Å; R136-E138 IonicContact NE-OE1 3.38Å; R136-E138 PolarHBondContact NE-OE1 2.9Å; R136-E138 PolarHBondContact O-N 2.8Å
137F61.6Low59.8Low126 Ų126116.1 Ų116.155%0.55362%0.624SS**  trans-82.590.7171.2-58.9-74.7000108.4Y119 P135 L139Y119-F137 HydrophobicContact CD1-CE2 4.45Å; Y119-F137 HydrophobicContact CE1-CD2 4.18Å; Y119-F137 AromaticContact CE1-CE2 3.91Å; Y119-F137 HydrophobicContact CE1-CE2 3.91Å; P135-F137 HydrophobicContact CB-CE1 4.37Å; P135-F137 HydrophobicContact CB-CE2 4.29Å; P135-F137 HydrophobicContact CB-CZ 4.08Å; P135-F137 HydrophobicContact CG-CD2 4.41Å; P135-F137 HydrophobicContact CG-CE1 4.23Å; P135-F137 HydrophobicContact CG-CE2 3.59Å; P135-F137 HydrophobicContact CG-CZ 3.47Å; P135-F137 VanDerWaalsContact CG-CZ 3.47Å; P135-F137 PolarHBondContact O-N 3.17Å; F137-L139 PolarHBondContact O-N 3.45Å
138E58Low57.9Low152 Ų152121 Ų12171%0.7165%0.651SS**  trans-74.189160.2-69-175.7-177.500106.7R136 P140R136-E138 HydrophobicContact CG-CG 4.4Å; R136-E138 IonicContact NE-OE1 3.38Å; R136-E138 PolarHBondContact NE-OE1 2.9Å; R136-E138 PolarHBondContact O-N 2.8Å; E138-P140 WeakPolarHBondContact O-CD 3.26Å
139L43.4Very low56.2Low139 Ų139121.6 Ų121.673%0.72865%0.646SS**  trans-64.1124.7169.3-71.3167.9000106.9F137 M141F137-L139 PolarHBondContact O-N 3.45Å; L139-M141 VanDerWaalsContact C-N 3.31Å; L139-M141 PolarHBondContact O-N 3.46Å
140P46.7Very low54.2Low122 Ų122122.5 Ų122.579%0.79265%0.649SS**  trans-60.1104.4164.824.4-28.9000105.9E138 G142E138-P140 WeakPolarHBondContact O-CD 3.26Å; P140-G142 PolarHBondContact O-N 3.31Å
141M44Very low52.8Low182 Ų182130.6 Ų130.690%0.89769%0.685SS**  trans-59.8113.1172.7-65.8-172-13400106L139 T143L139-M141 VanDerWaalsContact C-N 3.31Å; L139-M141 PolarHBondContact O-N 3.46Å; M141-T143 PolarHBondContact O-N 2.97Å
142G40.9Very low51.3Low58 Ų58131.6 Ų131.660%0.59869%0.693SS**  trans-49.9137.3175.300000109.3P140 T144P140-G142 PolarHBondContact O-N 3.31Å; G142-T144 VanDerWaalsContact C-N 3.28Å; G142-T144 PolarHBondContact O-N 2.96Å
143T34.1Very low49.2Very low150 Ų150134.1 Ų134.192%0.9272%0.715SS**  trans-56.393.4169.149.10000108.9M141M141-T143 PolarHBondContact O-N 2.97Å
144T42.7Very low47.9Very low120 Ų120139.2 Ų139.274%0.73674%0.738SS**  trans-117108.8158.851.30000105.7G142 Q146G142-T144 VanDerWaalsContact C-N 3.28Å; G142-T144 PolarHBondContact O-N 2.96Å; T144-Q146 PolarHBondContact O-N 3.24Å
145E35.3Very low46.2Very low197 Ų197142.4 Ų142.492%0.92176%0.762SS**  trans-31.6101.3165.9-69.2169.179.300110.4P147E145-P147 WeakPolarHBondContact O-CD 3.43Å
146Q41.4Very low44.7Very low182 Ų182146.9 Ų146.985%0.8579%0.792SS**PPolyproline II helixtrans-81.3119.9158.9-84.4-173.3-37.600106.3T144T144-Q146 PolarHBondContact O-N 3.24Å
147P39.3Very low43.8Very low111 Ų111143.7 Ų143.772%0.72180%0.796SS**PPolyproline II helixtrans-59.2137.3173.9-16.328.6000108.7E145 L149E145-P147 WeakPolarHBondContact O-CD 3.43Å; P147-L149 PolarHBondContact O-N 3.23Å; P147-L149 VanDerWaalsContact O-N 3.12Å
148P42.3Very low42.8Very low127 Ų127147.2 Ų147.283%0.82581%0.811SS**PPolyproline II helixtrans-64.9118.8-179.425-30.1000109.5
149L45.2Very low42Very low155 Ų155152.1 Ų152.181%0.81282%0.823SS**PPolyproline II helixtrans-59.2136.3164.9-81.7152.3000108.7P147 Q151P147-L149 PolarHBondContact O-N 3.23Å; P147-L149 VanDerWaalsContact O-N 3.12Å; L149-Q151 PolarHBondContact O-N 3.22Å
150P38.5Very low42.2Very low124 Ų124149.5 Ų149.581%0.80582%0.822SS**  trans-72.998.4-174.128.9-31.9000109.5
151Q49.7Very low42Very low187 Ų187149.8 Ų149.887%0.87482%0.823SS**PPolyproline II helixtrans-90.8128169.7-94.2178.513.400110.7L149L149-Q151 PolarHBondContact O-N 3.22Å
152Q47.2Very low42.5Very low190 Ų190150 Ų15089%0.88882%0.822SS**PPolyproline II helixtrans-61.7134.2-172.1-65.5167.823.700111.7Q154Q152-Q154 PolarHBondContact O-N 2.99Å
153T33.6Very low42.6Very low136 Ų136153.7 Ų153.783%0.83483%0.833SS**PPolyproline II helixtrans-55.8121.7179.8-44.50000112.5
154Q48.5Very low43.2Very low181 Ų181154.5 Ų154.585%0.84683%0.83SS**  trans-130.2136.1152.6-70.1-169.716.100109.8Q152Q152-Q154 PolarHBondContact O-N 2.99Å
155P43.1Very low43Very low111 Ų111151.8 Ų151.872%0.72183%0.826SS**PPolyproline II helixtrans-83.9156-165.833.4-34.8000113.2
156P38Very low43.2Very low123 Ų123149.1 Ų149.180%0.79982%0.823SS**PPolyproline II helixtrans-85.7127.2-170.933.3-30.9000111.3
157T46Very low43.7Very low145 Ų145149.4 Ų149.489%0.8983%0.826SS**PPolyproline II helixtrans-98.1120.4165.352.50000110.4
158K42.1Very low43.8Very low199 Ų199153 Ų15387%0.86583%0.833SS**PPolyproline II helixtrans-62.5136.8-179.7-60.3170177.3179.10111
159R39.4Very low44.1Very low255 Ų255152.9 Ų152.996%0.96284%0.835SS**  trans-156.7144.8147.8-107.8160.3-163.5-130.44.4112.1
160A48.2Very low44.5Very low85 Ų85153.9 Ų153.970%0.70284%0.836SS**PPolyproline II helixtrans-82.8164.5-14900000116.1
161P43.4Very low44.5Very low127 Ų127155.6 Ų155.683%0.82584%0.839SS**PPolyproline II helixtrans-80.7136.3176.532.8-30.7000111.3
162Q52.7Low44.3Very low186 Ų186151.6 Ų151.687%0.86983%0.831SS**PPolyproline II helixtrans-95.7126.7173.9-68.9-96.2-1800109.4
163V43.9Very low43.9Very low137 Ų137148.3 Ų148.383%0.8383%0.829SS**PPolyproline II helixtrans-71.4127.4174.41690000109.6
164I47.4Very low44.5Very low167 Ų167146.1 Ų146.186%0.85683%0.825SS**  trans-131.6124.4161.9-63179.4000109.2
165G38.5Very low44.2Very low63 Ų63141 Ų14165%0.64982%0.821SS**  trans-76.4161.7-166.600000116.2
166V38.7Very low44.3Very low141 Ų141143.7 Ų143.786%0.85583%0.829SS**  trans-69.6120.3173174.20000109.2
167M53Low45.1Very low188 Ų188147.4 Ų147.493%0.92683%0.827SS**  trans-113.2123.4165-81.7-177153.500110
168Q40.7Very low45.8Very low186 Ų186142.6 Ų142.687%0.86981%0.806SS**  trans-66.5129.1-179.8-65.8160.5-18.300109.9
169S48.2Very low47Very low124 Ų124139.2 Ų139.287%0.86781%0.805SS**  trans-108.3123.9164.1-160.70000109.1N171S169-N171 PolarHBondContact O-N 3.47Å
170Q52.8Low48.2Very low177 Ų177132.4 Ų132.483%0.82778%0.779SS**  trans-71.9117.2-169-66.5166.6-10.500110S172Q170-S172 PolarHBondContact O-N 2.81Å
171N39Very low49.4Very low160 Ų160131.6 Ų131.686%0.85677%0.766SS**  trans-79.4105.2175.4-165.511.8000108.9S169S169-N171 PolarHBondContact O-N 3.47Å
172S45.9Very low50.9Low102 Ų102130.5 Ų130.571%0.71375%0.753SS**  trans-102.7103.7171.9-66.60000109.8Q170Q170-S172 PolarHBondContact O-N 2.81Å
173S38.3Very low52.1Low122 Ų122129.1 Ų129.185%0.85375%0.747SS**  trans59.562.8137.9-47.90000118.1
174A46.7Very low53.8Low90 Ų90128.3 Ų128.374%0.74473%0.734SS**  trans-111.8106.7151.200000108.2N176A174-N176 PolarHBondContact O-N 2.98Å
175G41.7Very low55.4Low74 Ų74121 Ų12176%0.76370%0.697SS**  trans-48.3121.3-173.500000112.9R177G175-R177 VanDerWaalsContact C-N 3.26Å; G175-R177 PolarHBondContact O-N 3.39Å
176N45.5Very low57.5Low166 Ų166121.3 Ų121.389%0.88869%0.686SS**  trans-66.780.3177.7-161.614.3000109.9A174 G178A174-N176 PolarHBondContact O-N 2.98Å; N176-G178 PolarHBondContact O-N 2.99Å
177R55Low59.6Low202 Ų202114.7 Ų114.776%0.76265%0.646SS**  trans-88.197.9166.2-73.7-177.6178.5165.1-2.2106.9G175G175-R177 VanDerWaalsContact C-N 3.26Å; G175-R177 PolarHBondContact O-N 3.39Å
178G61.6Low61Low44 Ų44115.9 Ų115.945%0.45464%0.642SS.*PPolyproline II helixtrans-51.9167.2166.400000111.7N176 R180N176-G178 PolarHBondContact O-N 2.99Å; G178-R180 PolarHBondContact O-N 2.69Å
179P65.8Low63Low127 Ų127110.4 Ų110.483%0.82562%0.615SS**PPolyproline II helixtrans-51.7116.8179.7-20.430.5000109.3
180R65.5Low64.6Low113 Ų113105.9 Ų105.943%0.42658%0.583SS.*PPolyproline II helixtrans-59.8135.8176.7-69.1-179.3178.2-118.94.7107.6G178 L182 V185G178-R180 PolarHBondContact O-N 2.69Å; R180-L182 PolarHBondContact O-N 3.42Å; R180-V185 HydrophobicContact CB-CG2 4.01Å
181P74.1Confident65.9Low67 Ų67100 Ų10044%0.43557%0.57SS.*PPolyproline II helixtrans-53.3138.9173.120.6-29.7000108.9E183 Q184P181-E183 PolarHBondContact O-N 3.03Å; P181-Q184 HydrophobicContact CG-CB 4.36Å; P181-Q184 HydrophobicContact CG-CG 4.1Å; P181-Q184 PolarHBondContact O-N 3.42Å
182L74.4Confident68Low105 Ų10596.5 Ų96.555%0.5555%0.548SS..G310 helixtrans-50.7-33-174.5-110.271.9000111.9R180 Q184 V185 G194 Y196R180-L182 PolarHBondContact O-N 3.42Å; L182-Q184 VanDerWaalsContact C-N 3.26Å; L182-Q184 PolarHBondContact O-N 2.95Å; L182-V185 PolarHBondContact O-N 3.27Å; L182-V185 VanDerWaalsContact O-N 3.08Å; L182-G194 WeakPolarHBondContact CD2-O 3.43Å; L182-G194 WeakPolarHBondContact O-CA 3.49Å; L182-G194 PolarHBondContact O-N 2.83Å; L182-G194 VanDerWaalsContact O-N 3.12Å; L182-Y196 HydrophobicContact CD1-CE2 4.33Å
183E76.9Confident69.9Low156 Ų15699.1 Ų99.173%0.72955%0.547SS*.G310 helixtrans-61.9-24.9177.8-64.4156-174.200114.3P181 K193P181-E183 PolarHBondContact O-N 3.03Å; E183-K193 WeakPolarHBondContact O-CB 3.43Å
184Q79.8Confident72Confident120 Ų12094.9 Ų94.956%0.56152%0.522SS*.G310 helixtrans-96.3-4.7175.6-71.1-176.91.900113.2P181 L182 T186P181-Q184 HydrophobicContact CG-CB 4.36Å; P181-Q184 HydrophobicContact CG-CG 4.1Å; P181-Q184 PolarHBondContact O-N 3.42Å; L182-Q184 VanDerWaalsContact C-N 3.26Å; L182-Q184 PolarHBondContact O-N 2.95Å; Q184-T186 PolarHBondContact O-N 2.94Å
185V80.9Confident73.8Confident14 Ų1492.2 Ų92.29%0.08550%0.495CS..  trans-88.7107.6-180179.60000109.1R180 L182 K193 G194 Y196R180-V185 HydrophobicContact CB-CG2 4.01Å; L182-V185 PolarHBondContact O-N 3.27Å; L182-V185 VanDerWaalsContact O-N 3.08Å; V185-K193 CarbonylContact O-C 3.5Å; V185-K193 VanDerWaalsContact O-CA 3.32Å; V185-K193 WeakPolarHBondContact O-CA 3.49Å; V185-G194 PolarHBondContact O-N 3.32Å; V185-Y196 HydrophobicContact CG1-CD1 3.7Å; V185-Y196 HydrophobicContact CG1-CD2 4.27Å; V185-Y196 HydrophobicContact CG1-CE1 3.72Å; V185-Y196 HydrophobicContact CG1-CE2 4.29Å; V185-Y196 HydrophobicContact CG1-CG 3.99Å; V185-Y196 HydrophobicContact CG2-CE1 4.19Å; V185-Y196 HydrophobicContact CG2-CE2 4.18Å
186T83.9Confident75.7Confident70 Ų7093.4 Ų93.443%0.42948%0.477SS..BIsolated β-bridgetrans-82127.2171.6-44.20000110.2Q184 Y188 G191Q184-T186 PolarHBondContact O-N 2.94Å; T186-Y188 PolarHBondContact O-N 2.88Å; T186-G191 WeakPolarHBondContact CG2-O 3.48Å
187C82.7Confident77.4Confident2 Ų286.9 Ų86.91%0.01445%0.446CS..  trans-71119.1176.2176.90000111.1K189 C190 G191 E192 H195C187-K189 PolarHBondContact O-N 3.12Å; C187-K189 VanDerWaalsContact O-N 3.1Å; C187-K189 PolarHBondContact SG-N 3.15Å; C187-K189 VanDerWaalsContact SG-N 3.42Å; C187-C190 VanDerWaalsContact CB-SG 3.59Å; C187-C190 PolarHBondContact O-N 3.14Å; C187-G191 WeakPolarHBondContact O-CA 3.38Å; C187-G191 PolarHBondContact O-N 3.22Å; C187-E192 WeakPolarHBondContact CB-O 3.25Å; C187-E192 PolarHBondContact N-O 3.45Å; C187-H195 VanDerWaalsContact CB-NE2 3.28Å; C187-H195 WeakPolarHBondContact CB-NE2 3.18Å; C187-H195 PolarHBondContact SG-NE2 3.38Å
188Y82.7Confident78.6Confident212 Ų21284 Ų8483%0.83145%0.446SS*.THydrogen-bonded Turntrans-64-12176.4-78.6-87.1000114.8T186T186-Y188 PolarHBondContact O-N 2.88Å
189K80.6Confident79.5Confident72 Ų7291.5 Ų91.531%0.31346%0.46SS..THydrogen-bonded Turntrans-91.5-39.4177.7-70177.8-178.2-76.90113.1C187 A197 C200 A206 F207C187-K189 PolarHBondContact O-N 3.12Å; C187-K189 VanDerWaalsContact O-N 3.1Å; C187-K189 PolarHBondContact SG-N 3.15Å; C187-K189 VanDerWaalsContact SG-N 3.42Å; K189-A197 HydrophobicContact CD-CB 4.38Å; K189-A197 WeakPolarHBondContact CD-O 3.21Å; K189-A197 WeakPolarHBondContact CE-O 3.36Å; K189-A197 HydrophobicContact CG-CB 4.24Å; K189-C200 HydrophobicContact CB-CB 4.42Å; K189-C200 HydrophobicContact CD-CB 4.25Å; K189-A206 WeakPolarHBondContact O-CB 3.5Å; K189-F207 HydrophobicContact CG-CE2 4.21Å; K189-F207 HydrophobicContact CG-CZ 4.43Å
190C82Confident80.2Confident29 Ų2986.4 Ų86.420%0.19643%0.428CS..THydrogen-bonded Turntrans-120.5-7.3-175.366.20000115.5C187 E192 H195 K202 A206C187-C190 VanDerWaalsContact CB-SG 3.59Å; C187-C190 PolarHBondContact O-N 3.14Å; C190-E192 PolarHBondContact O-N 3.44Å; C190-H195 PolarHBondContact SG-CE1 2.86Å; C190-H195 PolarHBondContact SG-NE2 3.21Å; C190-K202 HydrophobicContact CB-CB 4.22Å; C190-K202 HydrophobicContact CB-CD 3.72Å; C190-K202 HydrophobicContact CB-CG 4.43Å; C190-A206 HydrophobicContact CB-CB 3.91Å
191G81.6Confident80.9Confident52 Ų5287.5 Ų87.554%0.53645%0.447SS..  trans77.4-4.5-178.300000115.4T186 C187T186-G191 WeakPolarHBondContact CG2-O 3.48Å; C187-G191 WeakPolarHBondContact O-CA 3.38Å; C187-G191 PolarHBondContact O-N 3.22Å
192E82.2Confident80.9Confident88 Ų8889.3 Ų89.341%0.41145%0.448SS..  trans-83.5146.2-179.8-67.6169.3176.100112C187 C190 K202C187-E192 WeakPolarHBondContact CB-O 3.25Å; C187-E192 PolarHBondContact N-O 3.45Å; C190-E192 PolarHBondContact O-N 3.44Å; E192-K202 IonicContact OE1-NZ 3.78Å; E192-K202 PolarHBondContact OE1-NZ 3.41Å; E192-K202 IonicContact OE2-NZ 3.53Å
193K86.1Confident80.3Confident156 Ų15685.9 Ų85.968%0.67844%0.438SS*.BIsolated β-bridgetrans-83.1155.8175.8-51.9178.4-172.4176.40110.1E183 V185E183-K193 WeakPolarHBondContact O-CB 3.43Å; V185-K193 CarbonylContact O-C 3.5Å; V185-K193 VanDerWaalsContact O-CA 3.32Å; V185-K193 WeakPolarHBondContact O-CA 3.49Å
194G82.5Confident79.6Confident33 Ų3385.8 Ų85.834%0.3444%0.438SS..SBendtrans108.1-4.9173.600000115.6L182 V185L182-G194 WeakPolarHBondContact CD2-O 3.43Å; L182-G194 WeakPolarHBondContact O-CA 3.49Å; L182-G194 PolarHBondContact O-N 2.83Å; L182-G194 VanDerWaalsContact O-N 3.12Å; V185-G194 PolarHBondContact O-N 3.32Å
195H84.8Confident78.7Confident35 Ų3586.7 Ų86.716%0.16245%0.445CS..SBendtrans-154.4153.5177.165.9-82.6000113.1C187 C190 C200C187-H195 VanDerWaalsContact CB-NE2 3.28Å; C187-H195 WeakPolarHBondContact CB-NE2 3.18Å; C187-H195 PolarHBondContact SG-NE2 3.38Å; C190-H195 PolarHBondContact SG-CE1 2.86Å; C190-H195 PolarHBondContact SG-NE2 3.21Å; H195-C200 VanDerWaalsContact CD2-CA 3.48Å; H195-C200 WeakPolarHBondContact CD2-CA 3.11Å
196Y81.3Confident77.5Confident98 Ų9886.8 Ų86.838%0.38445%0.448SS..  trans-79.9153.9172-72.1-88000111.6L182 V185 N198 R199 C200L182-Y196 HydrophobicContact CD1-CE2 4.33Å; V185-Y196 HydrophobicContact CG1-CD1 3.7Å; V185-Y196 HydrophobicContact CG1-CD2 4.27Å; V185-Y196 HydrophobicContact CG1-CE1 3.72Å; V185-Y196 HydrophobicContact CG1-CE2 4.29Å; V185-Y196 HydrophobicContact CG1-CG 3.99Å; V185-Y196 HydrophobicContact CG2-CE1 4.19Å; V185-Y196 HydrophobicContact CG2-CE2 4.18Å; Y196-N198 WeakPolarHBondContact CB-OD1 3.42Å; Y196-N198 PolarHBondContact O-N 3.03Å; Y196-R199 PolarHBondContact O-N 3.21Å; Y196-C200 PolarHBondContact O-N 3.35Å
197A81.7Confident76.3Confident29 Ų2989.7 Ų89.724%0.2446%0.455CS..G310 helixtrans-55.7-25.3-17700000114.9K189 R199K189-A197 HydrophobicContact CD-CB 4.38Å; K189-A197 WeakPolarHBondContact CD-O 3.21Å; K189-A197 WeakPolarHBondContact CE-O 3.36Å; K189-A197 HydrophobicContact CG-CB 4.24Å; A197-R199 VanDerWaalsContact C-N 3.34Å
198N79.7Confident75.2Confident143 Ų14396.6 Ų96.677%0.76549%0.491SS*.G310 helixtrans-79.5-1017636.8-46.6000114Y196Y196-N198 WeakPolarHBondContact CB-OD1 3.42Å; Y196-N198 PolarHBondContact O-N 3.03Å
199R79.3Confident73.9Confident201 Ų20191.9 Ų91.976%0.75849%0.489SS*.G310 helixtrans-115.514.6172.4-64.2-171-179.7-137.91.9112.7Y196 A197 T201Y196-R199 PolarHBondContact O-N 3.21Å; A197-R199 VanDerWaalsContact C-N 3.34Å; R199-T201 PolarHBondContact O-N 2.98Å
200C80.7Confident72.6Confident20 Ų2092.1 Ų92.114%0.13551%0.512CS..  trans-70.1118.7179.7-175.90000110.8K189 H195 Y196 K202K189-C200 HydrophobicContact CB-CB 4.42Å; K189-C200 HydrophobicContact CD-CB 4.25Å; H195-C200 VanDerWaalsContact CD2-CA 3.48Å; H195-C200 WeakPolarHBondContact CD2-CA 3.11Å; Y196-C200 PolarHBondContact O-N 3.35Å; C200-K202 VanDerWaalsContact C-N 3.29Å; C200-K202 PolarHBondContact SG-N 2.85Å
201T81.3Confident71Confident136 Ų136103.2 Ų103.283%0.83456%0.561SS**THydrogen-bonded Turntrans-73.1-22.217656.60000112.2R199 G203R199-T201 PolarHBondContact O-N 2.98Å; T201-G203 PolarHBondContact O-N 2.81Å; T201-G203 VanDerWaalsContact O-N 3.13Å
202K73.7Confident70.4Confident104 Ų104105.8 Ų105.845%0.45256%0.562SS.*THydrogen-bonded Turntrans-74.34.9179.6-67.8-174165.11790114.7C190 E192 C200 A206C190-K202 HydrophobicContact CB-CB 4.22Å; C190-K202 HydrophobicContact CB-CD 3.72Å; C190-K202 HydrophobicContact CB-CG 4.43Å; E192-K202 IonicContact OE1-NZ 3.78Å; E192-K202 PolarHBondContact OE1-NZ 3.41Å; E192-K202 IonicContact OE2-NZ 3.53Å; C200-K202 VanDerWaalsContact C-N 3.29Å; C200-K202 PolarHBondContact SG-N 2.85Å; K202-A206 HydrophobicContact CB-CB 3.82Å; K202-A206 PolarHBondContact O-N 3.39Å
203G62.8Low69.8Low34 Ų34106.7 Ų106.735%0.35157%0.57SS.*G310 helixtrans56.6-167171.400000114.1T201 L205T201-G203 PolarHBondContact O-N 2.81Å; T201-G203 VanDerWaalsContact O-N 3.13Å; G203-L205 PolarHBondContact O-N 2.9Å
204H61.4Low68.9Low154 Ų154104 Ų10471%0.71356%0.564SS**G310 helixtrans-69.7-8.9176.8-162-78.7000113
205L59.9Low68.1Low138 Ų138108.2 Ų108.272%0.72358%0.577SS**G310 helixtrans-85-10.8-174.9-69171000113.9G203 F207 L208G203-L205 PolarHBondContact O-N 2.9Å; L205-F207 PolarHBondContact O-N 3.12Å; L205-F207 VanDerWaalsContact O-N 3.1Å; L205-L208 PolarHBondContact O-N 2.94Å
206A55.9Low67.1Low17 Ų17112.8 Ų112.814%0.1460%0.603CS.*G310 helixtrans-63.5-17.3-178.800000114.7K189 C190 K202 L208K189-A206 WeakPolarHBondContact O-CB 3.5Å; C190-A206 HydrophobicContact CB-CB 3.91Å; K202-A206 HydrophobicContact CB-CB 3.82Å; K202-A206 PolarHBondContact O-N 3.39Å; A206-L208 PolarHBondContact O-N 3.45Å
207F58.8Low66.1Low130 Ų130113.7 Ų113.757%0.5762%0.618SS**G310 helixtrans-67.6-11.5178.6-74.6-82.4000114.3K189 L205K189-F207 HydrophobicContact CG-CE2 4.21Å; K189-F207 HydrophobicContact CG-CZ 4.43Å; L205-F207 PolarHBondContact O-N 3.12Å; L205-F207 VanDerWaalsContact O-N 3.1Å
208L59.2Low65Low148 Ų148119.8 Ų119.878%0.77565%0.645SS**G310 helixtrans-94.3-3.7-177-65.8174.1000114.6L205 A206L205-L208 PolarHBondContact O-N 2.94Å; A206-L208 PolarHBondContact O-N 3.45Å
209S56.3Low63.9Low113 Ų113118 Ų11879%0.7964%0.635SS**SBendtrans-106.411.4-174.2-570000114.8
210G53.7Low62.6Low77 Ų77111.1 Ų111.179%0.79463%0.625SS**  trans-114.171.2177.600000111.6
211Q47.7Very low61Low262 Ų262119.4 Ų119.4100%1.22467%0.67SS**  trans-129.10161.9-160.2152.698.500108.3

Retrieved 211 of 211 residues in 86.1 ms (Link to these results)

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