A0A077Z5K4_TRITR Loading...

Dynactin subunit 5

AlphaFold DB , UniProt , Accession A0A077Z5K4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 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
1M52.3Low65.2Low243 Ų243139.7 Ų139.7100%1.19775%0.752SS**  0111.30-68.8-177.4175.200107.7T3M1-T3 PolarHBondContact O-N 3.06Å
2T58.3Low66.1Low143 Ų143148.2 Ų148.288%0.87777%0.765SS**  trans-79.3108.5179.7-19.80000108.2K4T2-K4 PolarHBondContact O-N 2.88Å; T2-K4 VanDerWaalsContact O-N 3.1Å
3T57.1Low66.7Low124 Ų124144 Ų14476%0.76175%0.745SS**  trans-62.4114.8178.1-33.10000108.1M1 V5M1-T3 PolarHBondContact O-N 3.06Å; T3-V5 PolarHBondContact O-N 2.71Å
4K69.8Low66.8Low209 Ų209136.4 Ų136.491%0.90971%0.709SS**  trans-66.499.7173.3-76.8-176.8177.2179.80108T2T2-K4 PolarHBondContact O-N 2.88Å; T2-K4 VanDerWaalsContact O-N 3.1Å
5V72.5Confident67.1Low119 Ų119135.7 Ų135.772%0.72169%0.693SS**  trans-86.5136.9172-1730000108.1T3T3-V5 PolarHBondContact O-N 2.71Å
6L63.4Low67.6Low130 Ų130131.1 Ų131.168%0.68167%0.671SS**  trans-63.3128.1174.8-70169.3000109.3F8L6-F8 VanDerWaalsContact C-N 3.26Å; L6-F8 PolarHBondContact O-N 2.85Å
7P68.5Low67.9Low119 Ų119125.2 Ų125.277%0.77364%0.641SS**SBendtrans-68.5-26.5-178.925.4-32.4000112.6
8F68.4Low68Low155 Ų155118.5 Ų118.568%0.6861%0.607SS**  trans-136.7137.1175.955.2-92.3000110.5L6 T10L6-F8 VanDerWaalsContact C-N 3.26Å; L6-F8 PolarHBondContact O-N 2.85Å; F8-T10 HydrophobicContact CD2-CG2 4.3Å
9I67Low68.2Low132 Ų132121.1 Ų121.168%0.67761%0.608SS**  trans-113.6111.5174.2-62.7167.9000107.6V11I9-V11 HydrophobicContact CG2-CG2 4.14Å; I9-V11 PolarHBondContact O-N 3.18Å
10T71Confident68.6Low112 Ų112119.3 Ų119.369%0.68760%0.6SS**  trans-85.1102.3175.152.70000109.8F8 R12F8-T10 HydrophobicContact CD2-CG2 4.3Å; T10-R12 PolarHBondContact O-N 2.81Å
11V69.4Low68.8Low51 Ų51117.8 Ų117.831%0.30959%0.587SS.*  trans-82.1113.2174.6-178.30000109.5I9 N13 N16 L17I9-V11 HydrophobicContact CG2-CG2 4.14Å; I9-V11 PolarHBondContact O-N 3.18Å; V11-N13 WeakPolarHBondContact CG1-O 3.49Å; V11-N16 HydrophobicContact CG1-CB 3.88Å; V11-L17 HydrophobicContact CB-CD2 4.21Å; V11-L17 HydrophobicContact CB-CG 4.2Å; V11-L17 HydrophobicContact CG1-CD2 4.44Å; V11-L17 HydrophobicContact CG1-CG 4.12Å; V11-L17 HydrophobicContact CG2-CD2 3.78Å; V11-L17 HydrophobicContact CG2-CG 4.31Å
12R75.4Confident69.9Low241 Ų241110.7 Ų110.791%0.90955%0.553SS**SBendtrans-75.8-31.4178.4-62.6-171-174.1-175.92.3113.4T10 P14T10-R12 PolarHBondContact O-N 2.81Å; R12-P14 WeakPolarHBondContact O-CD 3.32Å
13N73.7Confident70.5Confident94 Ų94104.5 Ų104.550%0.50352%0.517SS..  trans-100104.4177.4-178.62.2000109.7V11 R15 N16V11-N13 WeakPolarHBondContact CG1-O 3.49Å; N13-R15 PolarHBondContact O-N 2.96Å; N13-R15 WeakPolarHBondContact OD1-CB 3.41Å; N13-R15 PolarHBondContact OD1-N 3.14Å; N13-N16 HydrophobicContact CB-CB 4.41Å; N13-N16 WeakPolarHBondContact O-CB 3.38Å; N13-N16 PolarHBondContact O-N 3.12Å
14P67.9Low70.9Confident38 Ų38104.4 Ų104.425%0.24750%0.502CS..Hα-helixtrans-64.3-25.4-177.124.3-32.5000113.8R12 N16 L17 Q44R12-P14 WeakPolarHBondContact O-CD 3.32Å; P14-N16 PolarHBondContact O-N 2.97Å; P14-L17 WeakPolarHBondContact O-CB 3.35Å; P14-L17 PolarHBondContact O-N 2.94Å; P14-Q44 HydrophobicContact CB-CB 3.5Å; P14-Q44 VanDerWaalsContact CB-CB 3.5Å; P14-Q44 HydrophobicContact CB-CG 3.33Å; P14-Q44 HydrophobicContact CG-CB 4.08Å; P14-Q44 HydrophobicContact CG-CG 3.46Å; P14-Q44 VanDerWaalsContact CG-CG 3.46Å
15R71.5Confident70.7Confident125 Ų12596.5 Ų96.547%0.47247%0.468SS..Hα-helixtrans-60.5-26.9172.8-173.6176.3-70.8-178.8-1.7112.3N13 L17 E18 W19N13-R15 PolarHBondContact O-N 2.96Å; N13-R15 WeakPolarHBondContact OD1-CB 3.41Å; N13-R15 PolarHBondContact OD1-N 3.14Å; R15-L17 VanDerWaalsContact C-N 3.3Å; R15-L17 PolarHBondContact O-N 3.1Å; R15-E18 WeakPolarHBondContact CA-OE2 3.48Å; R15-E18 WeakPolarHBondContact O-CB 3.23Å; R15-E18 PolarHBondContact O-N 3.33Å; R15-W19 PolarHBondContact O-N 3.44Å; R15-W19 VanDerWaalsContact O-N 3.09Å
16N76Confident70.2Confident63 Ų6392.3 Ų92.334%0.33745%0.446SS..Hα-helixtrans-64.5-34.6175.5-171.157.8000112V11 N13 P14 E18 W19 L20V11-N16 HydrophobicContact CG1-CB 3.88Å; N13-N16 HydrophobicContact CB-CB 4.41Å; N13-N16 WeakPolarHBondContact O-CB 3.38Å; N13-N16 PolarHBondContact O-N 3.12Å; P14-N16 PolarHBondContact O-N 2.97Å; N16-E18 VanDerWaalsContact C-N 3.28Å; N16-E18 PolarHBondContact O-N 2.81Å; N16-W19 PolarHBondContact O-N 3.35Å; N16-L20 WeakPolarHBondContact ND2-CD1 3.12Å; N16-L20 WeakPolarHBondContact O-CB 3.35Å; N16-L20 VanDerWaalsContact O-CG 3.25Å; N16-L20 WeakPolarHBondContact O-CG 3.13Å; N16-L20 PolarHBondContact O-N 3.37Å
17L71.6Confident69.8Low31 Ų3192.2 Ų92.216%0.16244%0.437CS..Hα-helixtrans-68.1-31.4176.4-67.6174.7000112.1V11 P14 R15 R21 I22 A23V11-L17 HydrophobicContact CB-CD2 4.21Å; V11-L17 HydrophobicContact CB-CG 4.2Å; V11-L17 HydrophobicContact CG1-CD2 4.44Å; V11-L17 HydrophobicContact CG1-CG 4.12Å; V11-L17 HydrophobicContact CG2-CD2 3.78Å; V11-L17 HydrophobicContact CG2-CG 4.31Å; P14-L17 WeakPolarHBondContact O-CB 3.35Å; P14-L17 PolarHBondContact O-N 2.94Å; R15-L17 VanDerWaalsContact C-N 3.3Å; R15-L17 PolarHBondContact O-N 3.1Å; L17-R21 PolarHBondContact O-N 2.87Å; L17-R21 VanDerWaalsContact O-N 3.1Å; L17-I22 HydrophobicContact CD2-CB 4.33Å; L17-I22 HydrophobicContact CD2-CG2 4.39Å; L17-I22 PolarHBondContact O-N 3.2Å; L17-A23 HydrophobicContact CB-CB 3.92Å; L17-A23 PolarHBondContact O-N 2.99Å
18E69.9Low69.1Low4 Ų487.2 Ų87.22%0.01941%0.407CS..Hα-helixtrans-69.1-45.5175.3-55.1177.1128.600110.6R15 N16 L20 R21 A23 V45 I46 F47 F48R15-E18 WeakPolarHBondContact CA-OE2 3.48Å; R15-E18 WeakPolarHBondContact O-CB 3.23Å; R15-E18 PolarHBondContact O-N 3.33Å; N16-E18 VanDerWaalsContact C-N 3.28Å; N16-E18 PolarHBondContact O-N 2.81Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.25Å; E18-R21 WeakPolarHBondContact O-CA 3.31Å; E18-R21 PolarHBondContact O-N 3.29Å; E18-A23 HydrophobicContact CG-CB 3.97Å; E18-V45 VanDerWaalsContact OE1-CA 3.32Å; E18-V45 WeakPolarHBondContact OE1-CA 3.18Å; E18-I46 PolarHBondContact OE1-N 3.07Å; E18-F47 HydrophobicContact CB-CB 3.76Å; E18-F47 HydrophobicContact CB-CD1 4.35Å; E18-F47 HydrophobicContact CB-CG 4.33Å; E18-F47 VanDerWaalsContact CD-N 3.3Å; E18-F47 HydrophobicContact CG-CB 4.15Å; E18-F47 PolarHBondContact OE1-N 3.22Å; E18-F47 WeakPolarHBondContact OE2-CB 3.42Å; E18-F47 PolarHBondContact OE2-N 2.81Å; E18-F48 HydrophobicContact CB-CE2 4.42Å
19W71.9Confident68.4Low168 Ų16888.1 Ų88.164%0.63641%0.408SS*.Hα-helixtrans-63.3-37.4174.8-76.37.3000113R15 N16 R21 F47R15-W19 PolarHBondContact O-N 3.44Å; R15-W19 VanDerWaalsContact O-N 3.09Å; N16-W19 PolarHBondContact O-N 3.35Å; W19-R21 PolarHBondContact O-N 3.28Å; W19-F47 AromaticContact CD1-CE2 3.97Å; W19-F47 AromaticContact NE1-CD2 3.76Å; W19-F47 AromaticContact NE1-CE2 3.53Å
20L76.3Confident67.7Low84 Ų8490.9 Ų90.944%0.4442%0.415SS..THydrogen-bonded Turntrans-74.5-6.7173.1-69.1173.3000113.4N16 E18 I22N16-L20 WeakPolarHBondContact ND2-CD1 3.12Å; N16-L20 WeakPolarHBondContact O-CB 3.35Å; N16-L20 VanDerWaalsContact O-CG 3.25Å; N16-L20 WeakPolarHBondContact O-CG 3.13Å; N16-L20 PolarHBondContact O-N 3.37Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.25Å; L20-I22 HydrophobicContact CB-CD1 3.81Å; L20-I22 HydrophobicContact CB-CG1 4Å; L20-I22 HydrophobicContact CD1-CD1 4.15Å; L20-I22 PolarHBondContact O-N 2.96Å
21R73.9Confident67.2Low89 Ų8989.6 Ų89.634%0.33642%0.424SS..THydrogen-bonded Turntrans61.718.9-177.2-47.3174.1-172.4171.53.9114.5L17 E18 W19 F143 T145 I146L17-R21 PolarHBondContact O-N 2.87Å; L17-R21 VanDerWaalsContact O-N 3.1Å; E18-R21 WeakPolarHBondContact O-CA 3.31Å; E18-R21 PolarHBondContact O-N 3.29Å; W19-R21 PolarHBondContact O-N 3.28Å; R21-F143 HydrophobicContact CG-CB 4.47Å; R21-F143 VanDerWaalsContact CZ-CD1 3.43Å; R21-F143 VanDerWaalsContact NH2-CG 3.26Å; R21-T145 WeakPolarHBondContact O-CG2 3.48Å; R21-I146 HydrophobicContact CB-CD1 4.39Å; R21-I146 HydrophobicContact CB-CG1 4.26Å; R21-I146 PolarHBondContact O-N 3.07Å
22I73.8Confident66.4Low94 Ų9492.3 Ų92.348%0.48244%0.436SS..  trans-88.8-24.1178.2-59.4169000110.2L17 L20 R24L17-I22 HydrophobicContact CD2-CB 4.33Å; L17-I22 HydrophobicContact CD2-CG2 4.39Å; L17-I22 PolarHBondContact O-N 3.2Å; L20-I22 HydrophobicContact CB-CD1 3.81Å; L20-I22 HydrophobicContact CB-CG1 4Å; L20-I22 HydrophobicContact CD1-CD1 4.15Å; L20-I22 PolarHBondContact O-N 2.96Å; I22-R24 PolarHBondContact O-N 3.3Å
23A71Confident65.4Low13 Ų1391 Ų9111%0.10744%0.437CS..SBendtrans-62.412417700000110.7L17 E18 K25 F48 T145L17-A23 HydrophobicContact CB-CB 3.92Å; L17-A23 PolarHBondContact O-N 2.99Å; E18-A23 HydrophobicContact CG-CB 3.97Å; A23-K25 PolarHBondContact O-N 2.91Å; A23-F48 HydrophobicContact CB-CE2 4.14Å; A23-T145 WeakPolarHBondContact O-CG2 3.03Å
24R66.1Low64.2Low122 Ų12291 Ų9146%0.4644%0.437SS..PPolyproline II helixtrans-65.3134.8177.3-65.1-179.378.8165.97.5109.4I22 Y150I22-R24 PolarHBondContact O-N 3.3Å; R24-Y150 PolarHBondContact NH2-OH 3.29Å; R24-Y150 VanDerWaalsContact NH2-OH 3.14Å
25K64.9Low63.2Low42 Ų4292.8 Ų92.818%0.18344%0.441CS..PPolyproline II helixtrans-64.9145.6167.5-75.6179.5-175.2-1750110A23 Y27 F48 E142 T145A23-K25 PolarHBondContact O-N 2.91Å; K25-Y27 HydrophobicContact CB-CD1 4.44Å; K25-Y27 HydrophobicContact CB-CD2 4.09Å; K25-Y27 HydrophobicContact CB-CE1 4.04Å; K25-Y27 HydrophobicContact CB-CE2 3.69Å; K25-Y27 HydrophobicContact CB-CG 4.47Å; K25-Y27 HydrophobicContact CD-CE1 4.26Å; K25-Y27 PolarHBondContact O-N 2.72Å; K25-F48 HydrophobicContact CG-CG 4.48Å; K25-E142 WeakPolarHBondContact CE-OE1 3.32Å; K25-E142 IonicContact NZ-OE1 3.11Å; K25-E142 PolarHBondContact NZ-OE1 2.82Å; K25-E142 IonicContact NZ-OE2 2.7Å; K25-E142 PolarHBondContact NZ-OE2 2.8Å; K25-T145 VanDerWaalsContact CE-OG1 3.26Å; K25-T145 WeakPolarHBondContact CE-OG1 3.44Å
26A62.2Low62.1Low32 Ų3293.9 Ų93.926%0.26445%0.451SS..  trans-68.372.9169.800000110.6C39 V45A26-C39 WeakPolarHBondContact CA-SG 3.29Å; A26-C39 HydrophobicContact CB-CB 3.34Å; A26-C39 WeakPolarHBondContact CB-SG 2.94Å; A26-C39 PolarHBondContact O-SG 3.39Å; A26-C39 VanDerWaalsContact O-SG 3.42Å; A26-V45 HydrophobicContact CB-CG1 4.15Å; A26-V45 HydrophobicContact CB-CG2 4.02Å
27Y56.3Low60.5Low127 Ų12795.1 Ų95.150%0.49846%0.458SS..PPolyproline II helixtrans-78.5122.7169.4-59.9-63.4000108.7K25 C39K25-Y27 HydrophobicContact CB-CD1 4.44Å; K25-Y27 HydrophobicContact CB-CD2 4.09Å; K25-Y27 HydrophobicContact CB-CE1 4.04Å; K25-Y27 HydrophobicContact CB-CE2 3.69Å; K25-Y27 HydrophobicContact CB-CG 4.47Å; K25-Y27 HydrophobicContact CD-CE1 4.26Å; K25-Y27 PolarHBondContact O-N 2.72Å; Y27-C39 PolarHBondContact O-SG 3.09Å; Y27-C39 VanDerWaalsContact O-SG 3.42Å
28G52.7Low59Low14 Ų14100.4 Ų100.414%0.14448%0.482CS..PPolyproline II helixtrans-61.3172.9169.800000111.2K30 F35G28-K30 PolarHBondContact O-N 2.83Å; G28-F35 PolarHBondContact N-O 3.36Å; G28-F35 VanDerWaalsContact O-CD2 3.26Å; G28-F35 WeakPolarHBondContact O-CD2 3.46Å; G28-F35 WeakPolarHBondContact O-CE2 3.25Å
29Y54.4Low57.6Low175 Ų175103 Ų10369%0.68650%0.499SS*.PPolyproline II helixtrans-64.6127.3174.7-68.3-85000110.7G31 L32Y29-G31 PolarHBondContact O-N 3.05Å; Y29-L32 HydrophobicContact CD2-CD1 4.4Å; Y29-L32 HydrophobicContact CG-CD1 4.32Å; Y29-L32 PolarHBondContact O-N 2.68Å
30K52.5Low55.7Low190 Ų190103.8 Ų103.883%0.82650%0.504SS*.THydrogen-bonded Turntrans-53.4124.3174.6-78.1-174.3178.4-179.20109.4G28 F35G28-K30 PolarHBondContact O-N 2.83Å; K30-F35 HydrophobicContact CB-CD2 4.49Å; K30-F35 HydrophobicContact CB-CE2 4.09Å; K30-F35 HydrophobicContact CG-CD2 4.21Å; K30-F35 HydrophobicContact CG-CE2 3.38Å; K30-F35 HydrophobicContact CG-CZ 3.84Å
31G59.5Low54Low85 Ų85107 Ų10788%0.87651%0.511SS*.THydrogen-bonded Turntrans105.5-12.5178.900000115.5Y29Y29-G31 PolarHBondContact O-N 3.05Å
32L53.7Low52.1Low107 Ų107112.7 Ų112.756%0.5653%0.534SS*.SBendtrans-86142.7170.6-83.2129.3000111Y29 N34 F35Y29-L32 HydrophobicContact CD2-CD1 4.4Å; Y29-L32 HydrophobicContact CG-CD1 4.32Å; Y29-L32 PolarHBondContact O-N 2.68Å; L32-N34 PolarHBondContact O-N 3.19Å; L32-F35 WeakPolarHBondContact O-CB 3.37Å; L32-F35 PolarHBondContact O-N 3.2Å
33K54.8Low50.7Low214 Ų214115.5 Ų115.593%0.9354%0.538SS*.THydrogen-bonded Turntrans-52-25.9176.2-127.5177.7-177-179.10112.6
34N48.2Very low49.3Very low94 Ų94118.8 Ų118.850%0.50355%0.552SS.*THydrogen-bonded Turntrans-95.525-179.3-54-7.4000112.2L32 Q36 N37L32-N34 PolarHBondContact O-N 3.19Å; N34-Q36 PolarHBondContact O-N 3.03Å; N34-N37 WeakPolarHBondContact CB-O 3.21Å; N34-N37 CarbonylContact O-C 3.54Å; N34-N37 PolarHBondContact O-N 2.91Å
35F46.1Very low48.4Very low75 Ų75114.8 Ų114.833%0.32954%0.541SS..THydrogen-bonded Turntrans-51.5-32.2-177.9-177.3-112.1000113.9G28 K30 L32G28-F35 PolarHBondContact N-O 3.36Å; G28-F35 VanDerWaalsContact O-CD2 3.26Å; G28-F35 WeakPolarHBondContact O-CD2 3.46Å; G28-F35 WeakPolarHBondContact O-CE2 3.25Å; K30-F35 HydrophobicContact CB-CD2 4.49Å; K30-F35 HydrophobicContact CB-CE2 4.09Å; K30-F35 HydrophobicContact CG-CD2 4.21Å; K30-F35 HydrophobicContact CG-CE2 3.38Å; K30-F35 HydrophobicContact CG-CZ 3.84Å; L32-F35 WeakPolarHBondContact O-CB 3.37Å; L32-F35 PolarHBondContact O-N 3.2Å
36Q48.9Very low47.7Very low149 Ų149116.5 Ų116.570%0.69655%0.551SS**THydrogen-bonded Turntrans-92-9.8177.8-64.8-171.6-6.100114.8N34 K52N34-Q36 PolarHBondContact O-N 3.03Å; Q36-K52 PolarHBondContact O-NZ 2.75Å
37N41.3Very low47.2Very low88 Ų88117.2 Ų117.247%0.47155%0.548SS..SBendtrans-130.6121.7-168.8-68.1-11.9000110.1N34 K52N34-N37 WeakPolarHBondContact CB-O 3.21Å; N34-N37 CarbonylContact O-C 3.54Å; N34-N37 PolarHBondContact O-N 2.91Å; N37-K52 PolarHBondContact OD1-NZ 3.45Å
38E40.5Very low47.1Very low143 Ų143111.9 Ų111.967%0.66853%0.528SS*.  trans84.795.6164.9-52.1-178.9-171.900115.9
39C40Very low47.2Very low58 Ų58116.4 Ų116.439%0.39255%0.545SS..  trans-92.8126.6162.3-82.30000111.4A26 Y27A26-C39 WeakPolarHBondContact CA-SG 3.29Å; A26-C39 HydrophobicContact CB-CB 3.34Å; A26-C39 WeakPolarHBondContact CB-SG 2.94Å; A26-C39 PolarHBondContact O-SG 3.39Å; A26-C39 VanDerWaalsContact O-SG 3.42Å; Y27-C39 PolarHBondContact O-SG 3.09Å; Y27-C39 VanDerWaalsContact O-SG 3.42Å
40Y33.7Very low47.3Very low185 Ų185111.6 Ų111.673%0.72553%0.528SS*.  trans-77.2154153.5-60.6-90.7000108.1
41Y39.8Very low47.5Very low150 Ų150103.3 Ų103.359%0.58849%0.492SS*.SBendtrans83.576-166.3-50.1-72.5000115.2R43Y41-R43 VanDerWaalsContact C-N 3.26Å; Y41-R43 PolarHBondContact O-N 3.45Å
42Y34.3Very low47.5Very low209 Ų209104.6 Ų104.682%0.8247%0.474SS*.  trans-7.860.8145.533.2-97.1000118.6
43R44.1Very low48Very low153 Ų153100.9 Ų100.958%0.57746%0.455SS*.  trans-132.477.4165.4-157.3171-173.5177.72.4110.6Y41 V45Y41-R43 VanDerWaalsContact C-N 3.26Å; Y41-R43 PolarHBondContact O-N 3.45Å; R43-V45 WeakPolarHBondContact O-CG2 3.32Å; R43-V45 PolarHBondContact O-N 3.22Å
44Q40.6Very low48.5Very low82 Ų8290.7 Ų90.738%0.38341%0.41SS..  trans39.177.4148.1-58.4-79.546.300113.9P14P14-Q44 HydrophobicContact CB-CB 3.5Å; P14-Q44 VanDerWaalsContact CB-CB 3.5Å; P14-Q44 HydrophobicContact CB-CG 3.33Å; P14-Q44 HydrophobicContact CG-CB 4.08Å; P14-Q44 HydrophobicContact CG-CG 3.46Å; P14-Q44 VanDerWaalsContact CG-CG 3.46Å
45V48.7Very low50.1Low39 Ų3987.4 Ų87.424%0.23639%0.394CS..  trans-108.730172.5-171.70000107.7E18 A26 R43 F48 Q49E18-V45 VanDerWaalsContact OE1-CA 3.32Å; E18-V45 WeakPolarHBondContact OE1-CA 3.18Å; A26-V45 HydrophobicContact CB-CG1 4.15Å; A26-V45 HydrophobicContact CB-CG2 4.02Å; R43-V45 WeakPolarHBondContact O-CG2 3.32Å; R43-V45 PolarHBondContact O-N 3.22Å; V45-F48 HydrophobicContact CG1-CB 3.98Å; V45-Q49 WeakPolarHBondContact O-CB 3.5Å; V45-Q49 PolarHBondContact O-N 3.43Å
46I50.6Low51.8Low77 Ų7783.9 Ų83.940%0.39538%0.378SS..Hα-helixtrans-68.3-44.2-174.5-64.2176.8000110.3E18 F50E18-I46 PolarHBondContact OE1-N 3.07Å; I46-F50 VanDerWaalsContact O-CB 3.29Å; I46-F50 WeakPolarHBondContact O-CB 3.42Å; I46-F50 PolarHBondContact O-N 2.97Å
47F50.5Low53.6Low47 Ų4778.9 Ų78.921%0.20636%0.355CS..Hα-helixtrans-74.6-41.6-176.5-175.9-99.1000112.5E18 W19 Q49 F50 L51 F118E18-F47 HydrophobicContact CB-CB 3.76Å; E18-F47 HydrophobicContact CB-CD1 4.35Å; E18-F47 HydrophobicContact CB-CG 4.33Å; E18-F47 VanDerWaalsContact CD-N 3.3Å; E18-F47 HydrophobicContact CG-CB 4.15Å; E18-F47 PolarHBondContact OE1-N 3.22Å; E18-F47 WeakPolarHBondContact OE2-CB 3.42Å; E18-F47 PolarHBondContact OE2-N 2.81Å; W19-F47 AromaticContact CD1-CE2 3.97Å; W19-F47 AromaticContact NE1-CD2 3.76Å; W19-F47 AromaticContact NE1-CE2 3.53Å; F47-Q49 VanDerWaalsContact C-N 3.33Å; F47-F50 WeakPolarHBondContact O-CB 3.5Å; F47-F50 PolarHBondContact O-N 2.94Å; F47-L51 PolarHBondContact O-N 3.4Å; F47-F118 HydrophobicContact CE1-CD2 4.13Å; F47-F118 HydrophobicContact CE1-CE2 4.36Å; F47-F118 HydrophobicContact CE2-CD2 4.34Å; F47-F118 AromaticContact CZ-CD2 3.43Å; F47-F118 HydrophobicContact CZ-CD2 3.43Å; F47-F118 VanDerWaalsContact CZ-CD2 3.43Å; F47-F118 AromaticContact CZ-CE2 3.64Å; F47-F118 HydrophobicContact CZ-CE2 3.64Å; F47-F118 HydrophobicContact CZ-CG 4.48Å
48F54.6Low55.7Low16 Ų1675.2 Ų75.27%0.0734%0.335CS..Hα-helixtrans-65.2-39.9174.7-71.1-64.6000111.4E18 A23 K25 V45 L51 K52 E142E18-F48 HydrophobicContact CB-CE2 4.42Å; A23-F48 HydrophobicContact CB-CE2 4.14Å; K25-F48 HydrophobicContact CG-CG 4.48Å; V45-F48 HydrophobicContact CG1-CB 3.98Å; F48-L51 PolarHBondContact O-N 2.96Å; F48-K52 PolarHBondContact O-N 3.1Å; F48-K52 VanDerWaalsContact O-N 3.14Å; F48-E142 HydrophobicContact CD1-CG 4.43Å; F48-E142 WeakPolarHBondContact CD1-OE1 3.47Å
49Q54.8Low57.9Low109 Ų10972.7 Ų72.751%0.50932%0.323SS..Hα-helixtrans-62.7-45.7171.6-175166.91300110.3V45 F47 L51 K52 L53V45-Q49 WeakPolarHBondContact O-CB 3.5Å; V45-Q49 PolarHBondContact O-N 3.43Å; F47-Q49 VanDerWaalsContact C-N 3.33Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3Å; Q49-K52 PolarHBondContact O-N 3.37Å; Q49-K52 VanDerWaalsContact O-N 3.1Å; Q49-L53 HydrophobicContact CG-CD1 3.59Å; Q49-L53 HydrophobicContact CG-CG 3.96Å; Q49-L53 WeakPolarHBondContact O-CB 3.41Å; Q49-L53 WeakPolarHBondContact O-CG 3.34Å; Q49-L53 PolarHBondContact O-N 3.4Å
50F56.7Low60.2Low74 Ų7475.7 Ų75.733%0.32533%0.33SS..Hα-helixtrans-55.9-43.2178.3-170.1-95.9000112.6I46 F47 L53 T54 H71 I116I46-F50 VanDerWaalsContact O-CB 3.29Å; I46-F50 WeakPolarHBondContact O-CB 3.42Å; I46-F50 PolarHBondContact O-N 2.97Å; F47-F50 WeakPolarHBondContact O-CB 3.5Å; F47-F50 PolarHBondContact O-N 2.94Å; F50-L53 PolarHBondContact O-N 2.83Å; F50-T54 WeakPolarHBondContact CE1-OG1 3.36Å; F50-T54 WeakPolarHBondContact O-CB 3.5Å; F50-T54 PolarHBondContact O-N 3.28Å; F50-T54 PolarHBondContact O-OG1 3.49Å; F50-H71 AromaticContact CD2-CD2 3.73Å; F50-H71 AromaticContact CD2-NE2 3.67Å; F50-H71 AromaticContact CE2-CD2 3.63Å; F50-H71 AromaticContact CE2-NE2 3.94Å; F50-I116 HydrophobicContact CE1-CG1 4.48Å
51L55.5Low62.7Low15 Ų1568.9 Ų68.98%0.07932%0.316CS..Hα-helixtrans-60.9-48.8174.9-177.5116000112.2F47 F48 Q49 L53 T54 F118 E142F47-L51 PolarHBondContact O-N 3.4Å; F48-L51 PolarHBondContact O-N 2.96Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3Å; L51-L53 PolarHBondContact O-N 2.69Å; L51-T54 PolarHBondContact O-N 2.99Å; L51-F118 HydrophobicContact CD1-CB 3.2Å; L51-F118 HydrophobicContact CD1-CG 4.22Å; L51-E142 HydrophobicContact CD2-CB 3.59Å; L51-E142 HydrophobicContact CD2-CG 3.65Å
52K60.6Low64.9Low112 Ų11270 Ų7049%0.48733%0.327SS..Hα-helixtrans-64-31-178.9-169.5170.1179.9179.20112Q36 N37 F48 Q49Q36-K52 PolarHBondContact O-NZ 2.75Å; N37-K52 PolarHBondContact OD1-NZ 3.45Å; F48-K52 PolarHBondContact O-N 3.1Å; F48-K52 VanDerWaalsContact O-N 3.14Å; Q49-K52 PolarHBondContact O-N 3.37Å; Q49-K52 VanDerWaalsContact O-N 3.1Å
53L63.6Low67.5Low30 Ų3065.4 Ų65.416%0.15732%0.316CS..Hα-helixtrans-84.6-19.2179.6-63.5-176.9000113.1Q49 F50 L51 H71 M72Q49-L53 HydrophobicContact CG-CD1 3.59Å; Q49-L53 HydrophobicContact CG-CG 3.96Å; Q49-L53 WeakPolarHBondContact O-CB 3.41Å; Q49-L53 WeakPolarHBondContact O-CG 3.34Å; Q49-L53 PolarHBondContact O-N 3.4Å; F50-L53 PolarHBondContact O-N 2.83Å; L51-L53 PolarHBondContact O-N 2.69Å; L53-H71 CarbonylContact O-C 3.54Å; L53-H71 WeakPolarHBondContact O-CA 3.45Å; L53-M72 HydrophobicContact CB-CB 3.62Å; L53-M72 HydrophobicContact CD1-CB 4.35Å; L53-M72 HydrophobicContact CD2-CB 3.42Å; L53-M72 VanDerWaalsContact CD2-CB 3.42Å; L53-M72 HydrophobicContact CD2-CG 3.61Å; L53-M72 HydrophobicContact CD2-SD 3.9Å; L53-M72 HydrophobicContact CG-CB 3.91Å; L53-M72 PolarHBondContact O-N 3.22Å
54T66.2Low69.7Low0 Ų061.3 Ų61.30%030%0.303CS..EExtended strand (participates in β ladder)trans-98109.8-177.1-47.40000110.5F50 L51 V69 R70 V119 N120F50-T54 WeakPolarHBondContact CE1-OG1 3.36Å; F50-T54 WeakPolarHBondContact O-CB 3.5Å; F50-T54 PolarHBondContact O-N 3.28Å; F50-T54 PolarHBondContact O-OG1 3.49Å; L51-T54 PolarHBondContact O-N 2.99Å; T54-V69 HydrophobicContact CG2-CG1 3.32Å; T54-R70 CarbonylContact C-O 3.21Å; T54-R70 VanDerWaalsContact CA-O 3.29Å; T54-R70 WeakPolarHBondContact CA-O 3.43Å; T54-V119 HydrophobicContact CG2-CG1 3.89Å; T54-V119 VanDerWaalsContact O-CG1 3.25Å; T54-V119 WeakPolarHBondContact O-CG1 3.29Å; T54-N120 PolarHBondContact O-N 2.85Å; T54-N120 VanDerWaalsContact O-N 3.08Å
55T81Confident72.2Confident25 Ų2557.6 Ų57.615%0.15329%0.286CS..EExtended strand (participates in β ladder)trans-110.6136.5-177.8540000110.9V69 R70 N120 V122T55-V69 CarbonylContact O-C 3.57Å; T55-V69 WeakPolarHBondContact O-CA 3.48Å; T55-R70 PolarHBondContact N-O 3.02Å; T55-R70 PolarHBondContact O-N 3.16Å; T55-R70 PolarHBondContact OG1-O 3.26Å; T55-N120 CarbonylContact C-O 3.48Å; T55-N120 VanDerWaalsContact CA-O 3.27Å; T55-N120 WeakPolarHBondContact CA-O 3.28Å; T55-V122 VanDerWaalsContact CB-CG2 3.48Å; T55-V122 HydrophobicContact CG2-CG2 3.37Å
56V82.2Confident74.3Confident0 Ų056.6 Ų56.60%028%0.28CS..EExtended strand (participates in β ladder)trans-88.8130.5164.8-178.20000109Y68 V69 L107 V119 N120 L121 V122 F129V56-Y68 CarbonylContact C-O 3.46Å; V56-Y68 VanDerWaalsContact CA-O 3.31Å; V56-Y68 WeakPolarHBondContact CA-O 3.02Å; V56-V69 HydrophobicContact CG2-CG2 4.33Å; V56-L107 HydrophobicContact CG1-CD2 3.6Å; V56-L107 HydrophobicContact CG2-CD2 4.45Å; V56-V119 HydrophobicContact CB-CG1 4.4Å; V56-V119 HydrophobicContact CG2-CB 3.85Å; V56-V119 HydrophobicContact CG2-CG1 3.31Å; V56-V119 HydrophobicContact CG2-CG2 4.42Å; V56-N120 PolarHBondContact N-O 3.26Å; V56-L121 HydrophobicContact CB-CD1 3.73Å; V56-L121 HydrophobicContact CG1-CD1 3.93Å; V56-V122 PolarHBondContact O-N 2.97Å; V56-F129 HydrophobicContact CG1-CE1 3.55Å; V56-F129 HydrophobicContact CG1-CZ 3.59Å
57E85.4Confident76.3Confident44 Ų4453 Ų5321%0.20626%0.261CS..EExtended strand (participates in β ladder)trans-121.4137.2177.2-69.9168.6-170.300109.2A67 Y68 R70E57-A67 CarbonylContact O-C 3.5Å; E57-A67 WeakPolarHBondContact O-CA 3.23Å; E57-Y68 PolarHBondContact N-O 3.41Å; E57-Y68 PolarHBondContact O-N 2.83Å; E57-R70 WeakPolarHBondContact OE1-CD 3.39Å; E57-R70 IonicContact OE1-NE 3.36Å; E57-R70 PolarHBondContact OE1-NE 3.32Å; E57-R70 VanDerWaalsContact OE1-NE 3.14Å; E57-R70 IonicContact OE2-CZ 3.48Å; E57-R70 IonicContact OE2-NE 2.75Å; E57-R70 PolarHBondContact OE2-NE 3.42Å; E57-R70 IonicContact OE2-NH2 3.38Å; E57-R70 PolarHBondContact OE2-NH2 3.42Å
58L86Confident78.4Confident12 Ų1252.2 Ų52.26%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-115.6111.9172.6-174.483.7000108.9K60 A67 F129L58-K60 HydrophobicContact CD2-CG 4.2Å; L58-K60 HydrophobicContact CG-CG 4.48Å; L58-A67 HydrophobicContact CD1-CB 4.05Å; L58-F129 HydrophobicContact CD1-CD2 3.79Å; L58-F129 HydrophobicContact CD1-CE2 3.82Å; L58-F129 HydrophobicContact CD1-CG 4.25Å; L58-F129 HydrophobicContact CD1-CZ 4.26Å
59E88.1Confident80.1Confident89 Ų8951.5 Ų51.542%0.41625%0.254SS..EExtended strand (participates in β ladder)trans-100.1114.9174.9-68.1-175175.300109.9T65 N66 Y68E59-T65 WeakPolarHBondContact O-CA 3.11Å; E59-N66 HydrophobicContact CB-CB 4.46Å; E59-N66 PolarHBondContact N-O 3.14Å; E59-N66 PolarHBondContact O-N 3.08Å; E59-Y68 HydrophobicContact CB-CE2 4.2Å; E59-Y68 HydrophobicContact CG-CD2 4.28Å; E59-Y68 HydrophobicContact CG-CE2 3.99Å; E59-Y68 WeakPolarHBondContact OE2-CE2 3.17Å
60K86.8Confident81.7Confident121 Ų12150.2 Ų50.253%0.52624%0.244SC..EExtended strand (participates in β ladder)trans-96.5109.4173.5-62.1-171.1-179.3-178.40109.8L58 T65 S126L58-K60 HydrophobicContact CD2-CG 4.2Å; L58-K60 HydrophobicContact CG-CG 4.48Å; K60-T65 HydrophobicContact CB-CG2 4.34Å; K60-T65 HydrophobicContact CG-CG2 4.08Å; K60-S126 WeakPolarHBondContact CE-OG 3.38Å; K60-S126 PolarHBondContact NZ-OG 2.78Å
61G86.5Confident83Confident42 Ų4247.5 Ų47.543%0.43323%0.232SC..  trans-89.5177.2165.700000111.8H64G61-H64 CarbonylContact C-O 3.49Å; G61-H64 VanDerWaalsContact CA-O 3.23Å; G61-H64 WeakPolarHBondContact CA-O 3.18Å; G61-H64 PolarHBondContact N-O 3.1Å
62Q86.3Confident84.1Confident175 Ų17553.4 Ų53.482%0.81826%0.261SS*.SBendtrans-63.7-41.4179.9-66.4-66.1-7.200112.9T95Q62-T95 WeakPolarHBondContact O-CG2 3.36Å
63N89.3Confident84.9Confident111 Ų11152.7 Ų52.759%0.59427%0.267SS*.SBendtrans-114.7-14-174.1-65.6-6.4000113.4T94N63-T94 WeakPolarHBondContact O-CB 3.26Å; N63-T94 PolarHBondContact O-OG1 3.08Å
64H90.6Very high85.6Confident68 Ų6857.3 Ų57.332%0.31529%0.291SS..  trans-143.3150.2-173.7-52.7-63.3000109.8G61 T82 K83G61-H64 CarbonylContact C-O 3.49Å; G61-H64 VanDerWaalsContact CA-O 3.23Å; G61-H64 WeakPolarHBondContact CA-O 3.18Å; G61-H64 PolarHBondContact N-O 3.1Å; H64-T82 WeakPolarHBondContact CA-OG1 3.47Å; H64-K83 HydrophobicContact CB-CG 3.93Å
65T92.4Very high86.6Confident4 Ų458.4 Ų58.43%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-121.1129.9176.646.30000107.1E59 K60 T82 T94 T95 L103E59-T65 WeakPolarHBondContact O-CA 3.11Å; K60-T65 HydrophobicContact CB-CG2 4.34Å; K60-T65 HydrophobicContact CG-CG2 4.08Å; T65-T82 PolarHBondContact N-OG1 3.5Å; T65-T82 PolarHBondContact O-N 3.25Å; T65-T82 PolarHBondContact O-OG1 3.31Å; T65-T82 WeakPolarHBondContact OG1-CG2 3.36Å; T65-T82 PolarHBondContact OG1-OG1 2.99Å; T65-T94 VanDerWaalsContact CG2-O 3.29Å; T65-T94 WeakPolarHBondContact CG2-O 3.5Å; T65-T94 PolarHBondContact OG1-O 2.93Å; T65-T95 HydrophobicContact CG2-CG2 4.49Å; T65-L103 WeakPolarHBondContact OG1-CD1 3.44Å
66N93.4Very high87.1Confident18 Ų1861 Ų6110%0.09632%0.315CS..EExtended strand (participates in β ladder)trans-119.3141179.8-51.5-39.3000108.3E59 Y68 S81E59-N66 HydrophobicContact CB-CB 4.46Å; E59-N66 PolarHBondContact N-O 3.14Å; E59-N66 PolarHBondContact O-N 3.08Å; N66-Y68 HydrophobicContact CB-CD2 4.36Å; N66-Y68 HydrophobicContact CB-CE1 4.25Å; N66-Y68 HydrophobicContact CB-CE2 3.47Å; N66-Y68 VanDerWaalsContact CB-CE2 3.47Å; N66-Y68 VanDerWaalsContact CB-CZ 3.42Å; N66-Y68 WeakPolarHBondContact CB-OH 3.26Å; N66-Y68 PolarHBondContact ND2-OH 2.89Å; N66-S81 WeakPolarHBondContact OD1-CB 3.04Å; N66-S81 PolarHBondContact OD1-OG 3.45Å
67A92.9Very high87.4Confident0 Ų064 Ų640%033%0.334CS..EExtended strand (participates in β ladder)trans-123.5130.7173.700000108.1E57 L58 E79 A80 L107 F129E57-A67 CarbonylContact O-C 3.5Å; E57-A67 WeakPolarHBondContact O-CA 3.23Å; L58-A67 HydrophobicContact CD1-CB 4.05Å; A67-E79 CarbonylContact O-C 3.58Å; A67-E79 WeakPolarHBondContact O-CA 3.38Å; A67-A80 PolarHBondContact N-O 3.39Å; A67-A80 PolarHBondContact O-N 3.14Å; A67-L107 HydrophobicContact CB-CD1 4.38Å; A67-L107 HydrophobicContact CB-CD2 4Å; A67-F129 HydrophobicContact CB-CE2 3.81Å; A67-F129 HydrophobicContact CB-CZ 4Å
68Y92.6Very high87.8Confident32 Ų3263.7 Ų63.713%0.12533%0.333CS..EExtended strand (participates in β ladder)trans-126.6148-176.6-54.3-75.4000110.3V56 E57 E59 N66 I76 L78 E79V56-Y68 CarbonylContact C-O 3.46Å; V56-Y68 VanDerWaalsContact CA-O 3.31Å; V56-Y68 WeakPolarHBondContact CA-O 3.02Å; E57-Y68 PolarHBondContact N-O 3.41Å; E57-Y68 PolarHBondContact O-N 2.83Å; E59-Y68 HydrophobicContact CB-CE2 4.2Å; E59-Y68 HydrophobicContact CG-CD2 4.28Å; E59-Y68 HydrophobicContact CG-CE2 3.99Å; E59-Y68 WeakPolarHBondContact OE2-CE2 3.17Å; N66-Y68 HydrophobicContact CB-CD2 4.36Å; N66-Y68 HydrophobicContact CB-CE1 4.25Å; N66-Y68 HydrophobicContact CB-CE2 3.47Å; N66-Y68 VanDerWaalsContact CB-CE2 3.47Å; N66-Y68 VanDerWaalsContact CB-CZ 3.42Å; N66-Y68 WeakPolarHBondContact CB-OH 3.26Å; N66-Y68 PolarHBondContact ND2-OH 2.89Å; Y68-I76 HydrophobicContact CD1-CD1 3.99Å; Y68-I76 HydrophobicContact CD1-CG2 3.91Å; Y68-I76 HydrophobicContact CE1-CD1 4.27Å; Y68-I76 HydrophobicContact CG-CD1 4.37Å; Y68-L78 CarbonylContact C-O 3.44Å; Y68-L78 WeakPolarHBondContact CA-O 3.39Å; Y68-E79 HydrophobicContact CD1-CB 3.64Å; Y68-E79 HydrophobicContact CE1-CB 3.93Å
69V91Very high88.2Confident0 Ų068.5 Ų68.50%036%0.355CS..EExtended strand (participates in β ladder)trans-109.5106.6164.9-1780000106.1T54 T55 V56 V77 L78 L107 V119T54-V69 HydrophobicContact CG2-CG1 3.32Å; T55-V69 CarbonylContact O-C 3.57Å; T55-V69 WeakPolarHBondContact O-CA 3.48Å; V56-V69 HydrophobicContact CG2-CG2 4.33Å; V69-V77 PolarHBondContact O-N 3Å; V69-L78 HydrophobicContact CB-CB 4.06Å; V69-L78 HydrophobicContact CG2-CB 4.09Å; V69-L78 PolarHBondContact N-O 2.99Å; V69-L78 PolarHBondContact O-N 2.96Å; V69-L107 HydrophobicContact CG2-CD1 3.98Å; V69-L107 HydrophobicContact CG2-CD2 3.87Å; V69-L107 HydrophobicContact CG2-CG 3.94Å; V69-V119 HydrophobicContact CG1-CG1 4.37Å
70R88.8Confident88.5Confident82 Ų8264.3 Ų64.331%0.30934%0.335SS..EExtended strand (participates in β ladder)trans-102.3126.2-178.5-171.7-173.7-61.3-95.8-2.3109.7T54 T55 E57 G75T54-R70 CarbonylContact C-O 3.21Å; T54-R70 VanDerWaalsContact CA-O 3.29Å; T54-R70 WeakPolarHBondContact CA-O 3.43Å; T55-R70 PolarHBondContact N-O 3.02Å; T55-R70 PolarHBondContact O-N 3.16Å; T55-R70 PolarHBondContact OG1-O 3.26Å; E57-R70 WeakPolarHBondContact OE1-CD 3.39Å; E57-R70 IonicContact OE1-NE 3.36Å; E57-R70 PolarHBondContact OE1-NE 3.32Å; E57-R70 VanDerWaalsContact OE1-NE 3.14Å; E57-R70 IonicContact OE2-CZ 3.48Å; E57-R70 IonicContact OE2-NE 2.75Å; E57-R70 PolarHBondContact OE2-NE 3.42Å; E57-R70 IonicContact OE2-NH2 3.38Å; E57-R70 PolarHBondContact OE2-NH2 3.42Å; R70-G75 CarbonylContact C-O 3.52Å; R70-G75 WeakPolarHBondContact CA-O 3.39Å
71H84.5Confident88.9Confident17 Ų1759.1 Ų59.18%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-90.4134.6165-178.3-98.9000109.4F50 L53 T73 N74 G75 V77F50-H71 AromaticContact CD2-CD2 3.73Å; F50-H71 AromaticContact CD2-NE2 3.67Å; F50-H71 AromaticContact CE2-CD2 3.63Å; F50-H71 AromaticContact CE2-NE2 3.94Å; L53-H71 CarbonylContact O-C 3.54Å; L53-H71 WeakPolarHBondContact O-CA 3.45Å; H71-T73 VanDerWaalsContact C-N 3.26Å; H71-T73 PolarHBondContact ND1-N 3.1Å; H71-T73 PolarHBondContact O-N 2.89Å; H71-T73 VanDerWaalsContact O-N 3.15Å; H71-N74 HydrophobicContact CB-CB 4.28Å; H71-N74 PolarHBondContact ND1-N 2.97Å; H71-N74 PolarHBondContact O-N 3.27Å; H71-G75 PolarHBondContact N-O 2.67Å; H71-G75 WeakPolarHBondContact O-CA 3.46Å; H71-G75 PolarHBondContact O-N 2.85Å; H71-V77 HydrophobicContact CB-CG2 3.45Å; H71-V77 VanDerWaalsContact CB-CG2 3.45Å
72M77.1Confident89.3Confident139 Ų13957.1 Ų57.169%0.68529%0.294SS*.THydrogen-bonded Turntrans-52.5-41.7-174.7-178.1-92-17600113.4L53L53-M72 HydrophobicContact CB-CB 3.62Å; L53-M72 HydrophobicContact CD1-CB 4.35Å; L53-M72 HydrophobicContact CD2-CB 3.42Å; L53-M72 VanDerWaalsContact CD2-CB 3.42Å; L53-M72 HydrophobicContact CD2-CG 3.61Å; L53-M72 HydrophobicContact CD2-SD 3.9Å; L53-M72 HydrophobicContact CG-CB 3.91Å; L53-M72 PolarHBondContact O-N 3.22Å
73T78.4Confident89.6Confident98 Ų9854.9 Ų54.960%0.60128%0.281SS*.THydrogen-bonded Turntrans-87.9-35-177.8-43.80000113.2H71H71-T73 VanDerWaalsContact C-N 3.26Å; H71-T73 PolarHBondContact ND1-N 3.1Å; H71-T73 PolarHBondContact O-N 2.89Å; H71-T73 VanDerWaalsContact O-N 3.15Å
74N78.2Confident89.9Confident126 Ų12652.2 Ų52.267%0.67427%0.265SS*.THydrogen-bonded Turntrans-102.1-7-167.3-65.5-0.2000112.6H71H71-N74 HydrophobicContact CB-CB 4.28Å; H71-N74 PolarHBondContact ND1-N 2.97Å; H71-N74 PolarHBondContact O-N 3.27Å
75G87.6Confident90.1Very high24 Ų2456.7 Ų56.725%0.24728%0.28CS..EExtended strand (participates in β ladder)trans76.2-145.5-17300000112R70 H71 V77R70-G75 CarbonylContact C-O 3.52Å; R70-G75 WeakPolarHBondContact CA-O 3.39Å; H71-G75 PolarHBondContact N-O 2.67Å; H71-G75 WeakPolarHBondContact O-CA 3.46Å; H71-G75 PolarHBondContact O-N 2.85Å; G75-V77 PolarHBondContact O-N 3.44Å
76I90.8Very high90.2Very high79 Ų7959.3 Ų59.341%0.40530%0.302SS..EExtended strand (participates in β ladder)trans-72.3120.1-174-58.8168.3000109.6Y68 E79Y68-I76 HydrophobicContact CD1-CD1 3.99Å; Y68-I76 HydrophobicContact CD1-CG2 3.91Å; Y68-I76 HydrophobicContact CE1-CD1 4.27Å; Y68-I76 HydrophobicContact CG-CD1 4.37Å; I76-E79 HydrophobicContact CG2-CB 4.35Å
77V89.8Confident90.3Very high64 Ų6458.9 Ų58.939%0.38830%0.3SS..EExtended strand (participates in β ladder)trans-94.2-43.9179.5-175.70000111.2V69 H71 G75 I116V69-V77 PolarHBondContact O-N 3Å; H71-V77 HydrophobicContact CB-CG2 3.45Å; H71-V77 VanDerWaalsContact CB-CG2 3.45Å; G75-V77 PolarHBondContact O-N 3.44Å; V77-I116 HydrophobicContact CG1-CD1 4.18Å
78L92.7Very high90.4Very high37 Ų3765.3 Ų65.319%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-135.8146.3176.8-64.7171.7000109.1Y68 V69 R110 C111 A114 I116Y68-L78 CarbonylContact C-O 3.44Å; Y68-L78 WeakPolarHBondContact CA-O 3.39Å; V69-L78 HydrophobicContact CB-CB 4.06Å; V69-L78 HydrophobicContact CG2-CB 4.09Å; V69-L78 PolarHBondContact N-O 2.99Å; V69-L78 PolarHBondContact O-N 2.96Å; L78-R110 HydrophobicContact CD1-CB 4.34Å; L78-C111 HydrophobicContact CD1-CB 4.4Å; L78-A114 HydrophobicContact CD1-CB 3.95Å; L78-A114 HydrophobicContact CD2-CB 4.44Å; L78-I116 HydrophobicContact CD1-CD1 4.09Å
79E94.4Very high90.5Very high113 Ų11371.5 Ų71.553%0.52835%0.348SS..EExtended strand (participates in β ladder)trans-130.9152.4174.763.1179.7-173.300110A67 Y68 I76 R110A67-E79 CarbonylContact O-C 3.58Å; A67-E79 WeakPolarHBondContact O-CA 3.38Å; Y68-E79 HydrophobicContact CD1-CB 3.64Å; Y68-E79 HydrophobicContact CE1-CB 3.93Å; I76-E79 HydrophobicContact CG2-CB 4.35Å; E79-R110 PolarHBondContact O-NH1 2.95Å
80A94.7Very high90.7Very high0 Ų080.9 Ų80.90%038%0.383CS..EExtended strand (participates in β ladder)trans-143.4124.6166.900000108.6A67 E84 L103 I106 L107A67-A80 PolarHBondContact N-O 3.39Å; A67-A80 PolarHBondContact O-N 3.14Å; A80-E84 WeakPolarHBondContact CA-OE1 3.42Å; A80-L103 HydrophobicContact CB-CD2 4.35Å; A80-I106 HydrophobicContact CB-CG2 4.18Å; A80-L107 HydrophobicContact CB-CB 4.33Å; A80-L107 HydrophobicContact CB-CD1 3.76Å
81S94.7Very high90.9Very high12 Ų1278.2 Ų78.28%0.08438%0.375CS..EExtended strand (participates in β ladder)trans-132.5145.7-174.9175.10000112.6N66 K83 E84N66-S81 WeakPolarHBondContact OD1-CB 3.04Å; N66-S81 PolarHBondContact OD1-OG 3.45Å; S81-K83 PolarHBondContact O-N 2.88Å; S81-K83 WeakPolarHBondContact OG-CB 3.43Å; S81-K83 WeakPolarHBondContact OG-CG 3.38Å; S81-K83 PolarHBondContact OG-N 3.12Å; S81-E84 PolarHBondContact N-OE1 3.45Å; S81-E84 VanDerWaalsContact O-CB 3.29Å; S81-E84 WeakPolarHBondContact O-CB 3.45Å; S81-E84 WeakPolarHBondContact O-CG 3.29Å; S81-E84 PolarHBondContact O-N 3.44Å
82T94.8Very high91.2Very high0 Ų086.2 Ų86.20%041%0.412CS..THydrogen-bonded Turntrans-69.6-4.2168.856.10000113.8H64 T65 E84 R88 L91 L103H64-T82 WeakPolarHBondContact CA-OG1 3.47Å; T65-T82 PolarHBondContact N-OG1 3.5Å; T65-T82 PolarHBondContact O-N 3.25Å; T65-T82 PolarHBondContact O-OG1 3.31Å; T65-T82 WeakPolarHBondContact OG1-CG2 3.36Å; T65-T82 PolarHBondContact OG1-OG1 2.99Å; T82-E84 VanDerWaalsContact C-N 3.28Å; T82-R88 WeakPolarHBondContact O-CB 3.35Å; T82-L91 HydrophobicContact CG2-CD1 3.43Å; T82-L91 VanDerWaalsContact CG2-CD1 3.43Å; T82-L103 HydrophobicContact CG2-CD1 3.9Å; T82-L103 HydrophobicContact CG2-CD2 4.12Å; T82-L103 HydrophobicContact CG2-CG 4.05Å
83K93.9Very high92Very high129 Ų12981.6 Ų81.656%0.56139%0.393SS*.THydrogen-bonded Turntrans-70.7-26.8165.7-65178.7-179.5177.90112.1H64 S81 Y85H64-K83 HydrophobicContact CB-CG 3.93Å; S81-K83 PolarHBondContact O-N 2.88Å; S81-K83 WeakPolarHBondContact OG-CB 3.43Å; S81-K83 WeakPolarHBondContact OG-CG 3.38Å; S81-K83 PolarHBondContact OG-N 3.12Å; K83-Y85 PolarHBondContact O-N 2.95Å
84E95.2Very high92.6Very high54 Ų5478.4 Ų78.425%0.25237%0.374SS..SBendtrans-64.4122.2179-64.3179-136.600110.4A80 S81 T82 A86 I87 R88 R110A80-E84 WeakPolarHBondContact CA-OE1 3.42Å; S81-E84 PolarHBondContact N-OE1 3.45Å; S81-E84 VanDerWaalsContact O-CB 3.29Å; S81-E84 WeakPolarHBondContact O-CB 3.45Å; S81-E84 WeakPolarHBondContact O-CG 3.29Å; S81-E84 PolarHBondContact O-N 3.44Å; T82-E84 VanDerWaalsContact C-N 3.28Å; E84-A86 VanDerWaalsContact C-N 3.26Å; E84-A86 PolarHBondContact O-N 3.13Å; E84-I87 HydrophobicContact CB-CB 4.29Å; E84-I87 HydrophobicContact CB-CD1 4.01Å; E84-I87 HydrophobicContact CB-CG1 3.96Å; E84-I87 HydrophobicContact CG-CD1 4.35Å; E84-I87 PolarHBondContact O-N 2.87Å; E84-I87 WeakPolarHBondContact OE2-CD1 3.49Å; E84-R88 WeakPolarHBondContact O-CB 3.37Å; E84-R88 PolarHBondContact O-N 2.87Å; E84-R110 IonicContact OE1-CZ 2.99Å; E84-R110 IonicContact OE1-NH1 2.65Å; E84-R110 PolarHBondContact OE1-NH1 2.97Å; E84-R110 IonicContact OE1-NH2 3.47Å; E84-R110 PolarHBondContact OE1-NH2 2.88Å; E84-R110 IonicContact OE2-CZ 2.81Å; E84-R110 IonicContact OE2-NH1 3.54Å; E84-R110 PolarHBondContact OE2-NH1 2.94Å; E84-R110 IonicContact OE2-NH2 2.75Å; E84-R110 PolarHBondContact OE2-NH2 3.14Å
85Y94.1Very high93.1Very high162 Ų16275.5 Ų75.564%0.63536%0.36SS*.Hα-helixtrans-56.1-40.4-174.4179.3-100.6000113.1K83 I87 R88 R89K83-Y85 PolarHBondContact O-N 2.95Å; Y85-I87 VanDerWaalsContact C-N 3.26Å; Y85-I87 PolarHBondContact O-N 3.15Å; Y85-R88 PolarHBondContact O-N 2.92Å; Y85-R89 WeakPolarHBondContact O-CB 3.42Å; Y85-R89 WeakPolarHBondContact O-CG 3.25Å; Y85-R89 PolarHBondContact O-N 3.22Å
86A95.2Very high93.3Very high59 Ų5976.6 Ų76.649%0.48836%0.36SS..Hα-helixtrans-63.1-31.9179.700000113.1E84E84-A86 VanDerWaalsContact C-N 3.26Å; E84-A86 PolarHBondContact O-N 3.13Å
87I95.3Very high93.3Very high10 Ų1077.8 Ų77.85%0.05137%0.371CS..Hα-helixtrans-82.5-52.3177-54.7-175.6000109E84 Y85 R89 R90 L91 L103 I106E84-I87 HydrophobicContact CB-CB 4.29Å; E84-I87 HydrophobicContact CB-CD1 4.01Å; E84-I87 HydrophobicContact CB-CG1 3.96Å; E84-I87 HydrophobicContact CG-CD1 4.35Å; E84-I87 PolarHBondContact O-N 2.87Å; E84-I87 WeakPolarHBondContact OE2-CD1 3.49Å; Y85-I87 VanDerWaalsContact C-N 3.26Å; Y85-I87 PolarHBondContact O-N 3.15Å; I87-R89 VanDerWaalsContact C-N 3.28Å; I87-R89 PolarHBondContact O-N 3.34Å; I87-R90 PolarHBondContact O-N 3.33Å; I87-L91 HydrophobicContact CG2-CD1 3.66Å; I87-L91 HydrophobicContact CG2-CG 4.25Å; I87-L91 WeakPolarHBondContact O-CG 3.48Å; I87-L91 PolarHBondContact O-N 3.37Å; I87-L103 HydrophobicContact CD1-CD2 4.46Å; I87-L103 HydrophobicContact CG2-CD2 4.33Å; I87-I106 HydrophobicContact CB-CD1 4.37Å; I87-I106 HydrophobicContact CD1-CD1 3.84Å; I87-I106 HydrophobicContact CD1-CG2 3.96Å; I87-I106 HydrophobicContact CG1-CD1 3.87Å; I87-I106 HydrophobicContact CG2-CD1 3.76Å
88R94.4Very high93.5Very high134 Ų13477 Ų7751%0.50637%0.372SS..Hα-helixtrans-53-43.7-177.3-164.5172.477.291-6.1112.8T82 E84 Y85 R90 L91 T94T82-R88 WeakPolarHBondContact O-CB 3.35Å; E84-R88 WeakPolarHBondContact O-CB 3.37Å; E84-R88 PolarHBondContact O-N 2.87Å; Y85-R88 PolarHBondContact O-N 2.92Å; R88-R90 PolarHBondContact O-N 2.99Å; R88-R90 VanDerWaalsContact O-N 3.16Å; R88-L91 PolarHBondContact O-N 3.21Å; R88-T94 HydrophobicContact CG-CG2 4.42Å
89R95.2Very high93.5Very high163 Ų16375.2 Ų75.262%0.61536%0.362SS*.THydrogen-bonded Turntrans-64.9-18.2-178.376.2-179.6-137.6-169.75114.1Y85 I87Y85-R89 WeakPolarHBondContact O-CB 3.42Å; Y85-R89 WeakPolarHBondContact O-CG 3.25Å; Y85-R89 PolarHBondContact O-N 3.22Å; I87-R89 VanDerWaalsContact C-N 3.28Å; I87-R89 PolarHBondContact O-N 3.34Å
90R94Very high93.4Very high197 Ų19770 Ų7074%0.74334%0.339SS*.THydrogen-bonded Turntrans-101.3-7.8-179.5-62-173.8-176.7-159.2-0.8112.5I87 R88I87-R90 PolarHBondContact O-N 3.33Å; R88-R90 PolarHBondContact O-N 2.99Å; R88-R90 VanDerWaalsContact O-N 3.16Å
91L93.6Very high93.4Very high26 Ų2671.9 Ų71.914%0.13635%0.348CS..  trans-98.6138.9-178.8-68.6175.2000110.2T82 I87 R88 S93 N102T82-L91 HydrophobicContact CG2-CD1 3.43Å; T82-L91 VanDerWaalsContact CG2-CD1 3.43Å; I87-L91 HydrophobicContact CG2-CD1 3.66Å; I87-L91 HydrophobicContact CG2-CG 4.25Å; I87-L91 WeakPolarHBondContact O-CG 3.48Å; I87-L91 PolarHBondContact O-N 3.37Å; R88-L91 PolarHBondContact O-N 3.21Å; L91-S93 WeakPolarHBondContact CB-O 3.39Å; L91-N102 HydrophobicContact CD2-CB 3.94Å
92H91.5Very high93.4Very high185 Ų18573.7 Ų73.786%0.85636%0.357SS*.SBendtrans-75.5-42.3177176.7-90.9000111.8
93S92.7Very high93.3Very high41 Ų4173.7 Ų73.729%0.28736%0.357SS..  trans-129.2166.2171.5176.60000108.7L91 S99L91-S93 WeakPolarHBondContact CB-O 3.39Å; S93-S99 PolarHBondContact O-OG 3.31Å
94T92.1Very high93.3Very high32 Ų3267.6 Ų67.620%0.19633%0.331CS..SBendtrans-100.5-13.1179.350.30000113.7N63 T65 R88N63-T94 WeakPolarHBondContact O-CB 3.26Å; N63-T94 PolarHBondContact O-OG1 3.08Å; T65-T94 VanDerWaalsContact CG2-O 3.29Å; T65-T94 WeakPolarHBondContact CG2-O 3.5Å; T65-T94 PolarHBondContact OG1-O 2.93Å; R88-T94 HydrophobicContact CG-CG2 4.42Å
95T89Confident93.4Very high64 Ų6469.6 Ų69.639%0.39334%0.336SS..SBendtrans-121.2-3.2-17253.70000113.6Q62 T65Q62-T95 WeakPolarHBondContact O-CG2 3.36Å; T65-T95 HydrophobicContact CG2-CG2 4.49Å
96D90.7Very high93.4Very high47 Ų4764.1 Ų64.125%0.25132%0.317SS..SBendtrans-72166.9-177.764.8-7.1000113.4A98 S99 A100D96-A98 PolarHBondContact O-N 3.35Å; D96-S99 WeakPolarHBondContact O-CB 3.45Å; D96-S99 PolarHBondContact O-N 2.76Å; D96-S99 WeakPolarHBondContact OD1-CA 3.29Å; D96-S99 WeakPolarHBondContact OD1-CB 3.34Å; D96-S99 PolarHBondContact OD1-N 2.77Å; D96-S99 PolarHBondContact OD1-OG 3.36Å; D96-A100 PolarHBondContact O-N 3.22Å
97V92Very high93.4Very high104 Ų10461.3 Ų61.363%0.6329%0.294SS*.Hα-helixtrans-62.3-34.7176.6-178.80000110.7A100 L101 A128V97-A100 PolarHBondContact O-N 2.79Å; V97-L101 PolarHBondContact O-N 2.78Å; V97-A128 HydrophobicContact CG1-CB 3.38Å
98A92.8Very high93.3Very high48 Ų4860.9 Ų60.940%0.39729%0.292SS..Hα-helixtrans-66.5-36.5176.400000112.5D96 L101 N102D96-A98 PolarHBondContact O-N 3.35Å; A98-L101 PolarHBondContact O-N 2.74Å; A98-N102 WeakPolarHBondContact O-CB 3.4Å; A98-N102 PolarHBondContact O-N 3.08Å; A98-N102 PolarHBondContact O-ND2 2.75Å; A98-N102 VanDerWaalsContact O-ND2 3.15Å
99S92.7Very high93.4Very high0 Ų060 Ų600%029%0.292CS..Hα-helixtrans-62.4-45171.2-72.20000111.6S93 D96 L101 N102 L103S93-S99 PolarHBondContact O-OG 3.31Å; D96-S99 WeakPolarHBondContact O-CB 3.45Å; D96-S99 PolarHBondContact O-N 2.76Å; D96-S99 WeakPolarHBondContact OD1-CA 3.29Å; D96-S99 WeakPolarHBondContact OD1-CB 3.34Å; D96-S99 PolarHBondContact OD1-N 2.77Å; D96-S99 PolarHBondContact OD1-OG 3.36Å; S99-L101 VanDerWaalsContact C-N 3.31Å; S99-L101 PolarHBondContact O-N 3.34Å; S99-N102 PolarHBondContact O-N 2.77Å; S99-L103 VanDerWaalsContact O-CB 3.25Å; S99-L103 WeakPolarHBondContact O-CB 3.33Å; S99-L103 WeakPolarHBondContact O-CG 3.43Å; S99-L103 PolarHBondContact O-N 3.48Å
100A92.7Very high93.4Very high4 Ų455.7 Ų55.73%0.03328%0.275CS..Hα-helixtrans-59.5-44.9176.400000110.5D96 V97 N102 L103 G104 F129D96-A100 PolarHBondContact O-N 3.22Å; V97-A100 PolarHBondContact O-N 2.79Å; A100-N102 PolarHBondContact O-N 3.37Å; A100-L103 PolarHBondContact O-N 3.38Å; A100-G104 PolarHBondContact O-N 2.68Å; A100-F129 HydrophobicContact CB-CB 4.29Å; A100-F129 VanDerWaalsContact O-CD2 3.27Å; A100-F129 WeakPolarHBondContact O-CD2 3.48Å
101L94.2Very high93.4Very high38 Ų3846.3 Ų46.320%0.19924%0.24CC..Hα-helixtrans-59-50.6176.2-164.7157.2000112.3V97 A98 S99 G104 R105 A128V97-L101 PolarHBondContact O-N 2.78Å; A98-L101 PolarHBondContact O-N 2.74Å; S99-L101 VanDerWaalsContact C-N 3.31Å; S99-L101 PolarHBondContact O-N 3.34Å; L101-G104 PolarHBondContact O-N 3.05Å; L101-R105 HydrophobicContact CD2-CG 4.26Å; L101-R105 VanDerWaalsContact CD2-NE 3.27Å; L101-R105 PolarHBondContact O-N 3.19Å; L101-A128 WeakPolarHBondContact CA-O 3.46Å; L101-A128 HydrophobicContact CB-CB 4.09Å; L101-A128 HydrophobicContact CD1-CB 4.42Å
102N95Very high93.3Very high51 Ų5147.5 Ų47.527%0.27325%0.246SC..Hα-helixtrans-69-35.7-177.6-71.5-35.4000112.7L91 A98 S99 A100 G104 R105 I106L91-N102 HydrophobicContact CD2-CB 3.94Å; A98-N102 WeakPolarHBondContact O-CB 3.4Å; A98-N102 PolarHBondContact O-N 3.08Å; A98-N102 PolarHBondContact O-ND2 2.75Å; A98-N102 VanDerWaalsContact O-ND2 3.15Å; S99-N102 PolarHBondContact O-N 2.77Å; A100-N102 PolarHBondContact O-N 3.37Å; N102-G104 VanDerWaalsContact C-N 3.31Å; N102-R105 PolarHBondContact O-N 3.22Å; N102-R105 PolarHBondContact OD1-NH1 2.65Å; N102-I106 VanDerWaalsContact O-CG1 3.29Å; N102-I106 WeakPolarHBondContact O-CG1 3.5Å; N102-I106 PolarHBondContact O-N 3.3Å
103L93.9Very high93.5Very high0 Ų046.3 Ų46.30%024%0.239CC..Hα-helixtrans-61.5-41.7170.4-83.2-178.3000111.2T65 A80 T82 I87 S99 A100 R105 I106 L107 F129T65-L103 WeakPolarHBondContact OG1-CD1 3.44Å; A80-L103 HydrophobicContact CB-CD2 4.35Å; T82-L103 HydrophobicContact CG2-CD1 3.9Å; T82-L103 HydrophobicContact CG2-CD2 4.12Å; T82-L103 HydrophobicContact CG2-CG 4.05Å; I87-L103 HydrophobicContact CD1-CD2 4.46Å; I87-L103 HydrophobicContact CG2-CD2 4.33Å; S99-L103 VanDerWaalsContact O-CB 3.25Å; S99-L103 WeakPolarHBondContact O-CB 3.33Å; S99-L103 WeakPolarHBondContact O-CG 3.43Å; S99-L103 PolarHBondContact O-N 3.48Å; A100-L103 PolarHBondContact O-N 3.38Å; L103-R105 VanDerWaalsContact C-N 3.35Å; L103-R105 PolarHBondContact O-N 2.75Å; L103-I106 PolarHBondContact O-N 2.86Å; L103-L107 WeakPolarHBondContact O-CB 3.33Å; L103-L107 PolarHBondContact O-N 3.28Å; L103-F129 HydrophobicContact CB-CE2 4.46Å
104G93.9Very high93.4Very high0 Ų047.1 Ų47.10%025%0.248CC..Hα-helixtrans-55.7-50.1173.300000111.2A100 L101 N102 I106 L107 A108 F129 L133A100-G104 PolarHBondContact O-N 2.68Å; L101-G104 PolarHBondContact O-N 3.05Å; N102-G104 VanDerWaalsContact C-N 3.31Å; G104-I106 PolarHBondContact O-N 3.3Å; G104-L107 PolarHBondContact O-N 2.98Å; G104-A108 WeakPolarHBondContact O-CB 3.31Å; G104-A108 PolarHBondContact O-N 3.37Å; G104-F129 VanDerWaalsContact CA-CD2 3.46Å; G104-F129 VanDerWaalsContact CA-CE2 3.43Å; G104-L133 VanDerWaalsContact O-CD2 3.3Å; G104-L133 WeakPolarHBondContact O-CD2 3.43Å
105R95.8Very high93.1Very high96 Ų9648 Ų4836%0.36226%0.263SS..Hα-helixtrans-57.4-46.4176.8-68.3174.2171.1161.5-3.9112.7L101 N102 L103 F109 G132 E135 V136L101-R105 HydrophobicContact CD2-CG 4.26Å; L101-R105 VanDerWaalsContact CD2-NE 3.27Å; L101-R105 PolarHBondContact O-N 3.19Å; N102-R105 PolarHBondContact O-N 3.22Å; N102-R105 PolarHBondContact OD1-NH1 2.65Å; L103-R105 VanDerWaalsContact C-N 3.35Å; L103-R105 PolarHBondContact O-N 2.75Å; R105-F109 WeakPolarHBondContact O-CB 3.37Å; R105-F109 PolarHBondContact O-N 3.34Å; R105-G132 WeakPolarHBondContact CA-O 3.32Å; R105-G132 WeakPolarHBondContact CG-O 3.15Å; R105-G132 PolarHBondContact N-O 3.35Å; R105-E135 IonicContact CZ-OE2 2.7Å; R105-E135 IonicContact NE-OE2 2.82Å; R105-E135 PolarHBondContact NE-OE2 2.81Å; R105-E135 IonicContact NH2-OE1 2.8Å; R105-E135 PolarHBondContact NH2-OE1 2.86Å; R105-E135 IonicContact NH2-OE2 3.37Å; R105-E135 PolarHBondContact NH2-OE2 2.99Å; R105-V136 HydrophobicContact CB-CG2 3.99Å; R105-V136 HydrophobicContact CG-CG2 4.14Å
106I95.9Very high92.9Very high48 Ų4845.7 Ų45.725%0.24625%0.248CC..Hα-helixtrans-66.7-42.7-178.5-67.5165.2000110.9A80 I87 N102 L103 G104 F109 R110A80-I106 HydrophobicContact CB-CG2 4.18Å; I87-I106 HydrophobicContact CB-CD1 4.37Å; I87-I106 HydrophobicContact CD1-CD1 3.84Å; I87-I106 HydrophobicContact CD1-CG2 3.96Å; I87-I106 HydrophobicContact CG1-CD1 3.87Å; I87-I106 HydrophobicContact CG2-CD1 3.76Å; N102-I106 VanDerWaalsContact O-CG1 3.29Å; N102-I106 WeakPolarHBondContact O-CG1 3.5Å; N102-I106 PolarHBondContact O-N 3.3Å; L103-I106 PolarHBondContact O-N 2.86Å; G104-I106 PolarHBondContact O-N 3.3Å; I106-F109 PolarHBondContact O-N 3.34Å; I106-R110 WeakPolarHBondContact O-CG 3.29Å; I106-R110 PolarHBondContact O-N 3.46Å
107L93.9Very high92.6Very high0 Ų047.8 Ų47.80%026%0.256CS..Hα-helixtrans-64.2-48.1178.7-165.775.6000110.8V56 A67 V69 A80 L103 G104 F109 R110 C111 F129 L133V56-L107 HydrophobicContact CG1-CD2 3.6Å; V56-L107 HydrophobicContact CG2-CD2 4.45Å; A67-L107 HydrophobicContact CB-CD1 4.38Å; A67-L107 HydrophobicContact CB-CD2 4Å; V69-L107 HydrophobicContact CG2-CD1 3.98Å; V69-L107 HydrophobicContact CG2-CD2 3.87Å; V69-L107 HydrophobicContact CG2-CG 3.94Å; A80-L107 HydrophobicContact CB-CB 4.33Å; A80-L107 HydrophobicContact CB-CD1 3.76Å; L103-L107 WeakPolarHBondContact O-CB 3.33Å; L103-L107 PolarHBondContact O-N 3.28Å; G104-L107 PolarHBondContact O-N 2.98Å; L107-F109 VanDerWaalsContact C-N 3.28Å; L107-F109 PolarHBondContact O-N 2.97Å; L107-R110 WeakPolarHBondContact O-CB 3.27Å; L107-R110 PolarHBondContact O-N 3.15Å; L107-R110 VanDerWaalsContact O-N 3.12Å; L107-C111 PolarHBondContact O-N 3.17Å; L107-C111 PolarHBondContact O-SG 3.02Å; L107-F129 HydrophobicContact CD2-CE2 4.49Å; L107-F129 HydrophobicContact CD2-CZ 3.88Å; L107-L133 HydrophobicContact CB-CD2 4.33Å; L107-L133 HydrophobicContact CD2-CD2 4.39Å
108A94.6Very high92.2Very high0 Ų044.7 Ų44.70%023%0.234CC..Hα-helixtrans-58.3-41.4175.600000112.1G104 R110 C111 L112 L133 V136 L138G104-A108 WeakPolarHBondContact O-CB 3.31Å; G104-A108 PolarHBondContact O-N 3.37Å; A108-R110 VanDerWaalsContact C-N 3.34Å; A108-R110 PolarHBondContact O-N 2.94Å; A108-C111 WeakPolarHBondContact O-CB 3.41Å; A108-C111 PolarHBondContact O-N 2.86Å; A108-L112 WeakPolarHBondContact O-CG 3.37Å; A108-L112 PolarHBondContact O-N 2.82Å; A108-L133 HydrophobicContact CB-CD2 3.86Å; A108-V136 HydrophobicContact CB-CB 3.65Å; A108-V136 HydrophobicContact CB-CG1 3.79Å; A108-V136 HydrophobicContact CB-CG2 4.24Å; A108-L138 HydrophobicContact CB-CB 3.87Å; A108-L138 HydrophobicContact CB-CD2 4.37Å
109F96.3Very high91.8Very high115 Ų11542.5 Ų42.550%0.50422%0.216SC..Hα-helixtrans-61.8-42.3176.3-176.3-98.8000112.1R105 I106 L107 L112 K113 V136R105-F109 WeakPolarHBondContact O-CB 3.37Å; R105-F109 PolarHBondContact O-N 3.34Å; I106-F109 PolarHBondContact O-N 3.34Å; L107-F109 VanDerWaalsContact C-N 3.28Å; L107-F109 PolarHBondContact O-N 2.97Å; F109-L112 PolarHBondContact O-N 2.91Å; F109-K113 HydrophobicContact CD1-CG 4.27Å; F109-K113 HydrophobicContact CE1-CG 3.91Å; F109-K113 HydrophobicContact CZ-CD 4.4Å; F109-K113 VanDerWaalsContact CZ-CE 3.41Å; F109-K113 HydrophobicContact CZ-CG 4.09Å; F109-K113 WeakPolarHBondContact O-CG 3.45Å; F109-K113 PolarHBondContact O-N 3.23Å; F109-V136 HydrophobicContact CB-CG1 4.33Å
110R95.3Very high91.3Very high73 Ų7345.9 Ų45.928%0.27523%0.234SC..Hα-helixtrans-63.4-43174.9-71.7178-175.9-172.61.5111.7L78 E79 E84 I106 L107 A108 L112 K113 A114L78-R110 HydrophobicContact CD1-CB 4.34Å; E79-R110 PolarHBondContact O-NH1 2.95Å; E84-R110 IonicContact OE1-CZ 2.99Å; E84-R110 IonicContact OE1-NH1 2.65Å; E84-R110 PolarHBondContact OE1-NH1 2.97Å; E84-R110 IonicContact OE1-NH2 3.47Å; E84-R110 PolarHBondContact OE1-NH2 2.88Å; E84-R110 IonicContact OE2-CZ 2.81Å; E84-R110 IonicContact OE2-NH1 3.54Å; E84-R110 PolarHBondContact OE2-NH1 2.94Å; E84-R110 IonicContact OE2-NH2 2.75Å; E84-R110 PolarHBondContact OE2-NH2 3.14Å; I106-R110 WeakPolarHBondContact O-CG 3.29Å; I106-R110 PolarHBondContact O-N 3.46Å; L107-R110 WeakPolarHBondContact O-CB 3.27Å; L107-R110 PolarHBondContact O-N 3.15Å; L107-R110 VanDerWaalsContact O-N 3.12Å; A108-R110 VanDerWaalsContact C-N 3.34Å; A108-R110 PolarHBondContact O-N 2.94Å; R110-L112 PolarHBondContact O-N 3.26Å; R110-K113 PolarHBondContact O-N 3.47Å; R110-A114 WeakPolarHBondContact O-CB 3.3Å; R110-A114 PolarHBondContact O-N 3.01Å
111C92.5Very high90.6Very high0 Ų046.7 Ų46.70%024%0.238CC..Hα-helixtrans-57-50.9175.6-66.40000111.4L78 L107 A108 K113 A114 G115 I116 L138L78-C111 HydrophobicContact CD1-CB 4.4Å; L107-C111 PolarHBondContact O-N 3.17Å; L107-C111 PolarHBondContact O-SG 3.02Å; A108-C111 WeakPolarHBondContact O-CB 3.41Å; A108-C111 PolarHBondContact O-N 2.86Å; C111-K113 VanDerWaalsContact C-N 3.33Å; C111-K113 PolarHBondContact O-N 2.84Å; C111-A114 CarbonylContact O-C 3.54Å; C111-A114 WeakPolarHBondContact O-CA 3.25Å; C111-A114 WeakPolarHBondContact O-CB 3.44Å; C111-A114 PolarHBondContact O-N 3.17Å; C111-A114 VanDerWaalsContact O-N 3.08Å; C111-G115 PolarHBondContact O-N 2.81Å; C111-G115 VanDerWaalsContact O-N 3.08Å; C111-I116 CarbonylContact C-O 3.59Å; C111-I116 HydrophobicContact CB-CB 4.15Å; C111-I116 WeakPolarHBondContact CB-O 3.49Å; C111-I116 PolarHBondContact O-N 3.45Å; C111-L138 HydrophobicContact CB-CD1 3.72Å
112L92.1Very high89.7Confident52 Ų5247.9 Ų47.927%0.27225%0.246SC..Hα-helixtrans-63-39.4179.9-67.7179.9000112.2A108 F109 R110 A114 G115 H117 V136A108-L112 WeakPolarHBondContact O-CG 3.37Å; A108-L112 PolarHBondContact O-N 2.82Å; F109-L112 PolarHBondContact O-N 2.91Å; R110-L112 PolarHBondContact O-N 3.26Å; L112-A114 VanDerWaalsContact C-N 3.28Å; L112-A114 PolarHBondContact O-N 2.78Å; L112-G115 PolarHBondContact O-N 3.21Å; L112-G115 VanDerWaalsContact O-N 3.1Å; L112-H117 VanDerWaalsContact CD2-ND1 3.28Å; L112-H117 WeakPolarHBondContact CD2-ND1 3.42Å; L112-V136 HydrophobicContact CD1-CG1 3.72Å; L112-V136 WeakPolarHBondContact CD1-O 3.39Å
113K94.9Very high87.9Confident160 Ų16051.1 Ų51.170%0.69626%0.263SS*.Hα-helixtrans-65.3-32174.6-73.9-67.4-175.5-176.20112.9F109 R110 C111 G115F109-K113 HydrophobicContact CD1-CG 4.27Å; F109-K113 HydrophobicContact CE1-CG 3.91Å; F109-K113 HydrophobicContact CZ-CD 4.4Å; F109-K113 VanDerWaalsContact CZ-CE 3.41Å; F109-K113 HydrophobicContact CZ-CG 4.09Å; F109-K113 WeakPolarHBondContact O-CG 3.45Å; F109-K113 PolarHBondContact O-N 3.23Å; R110-K113 PolarHBondContact O-N 3.47Å; C111-K113 VanDerWaalsContact C-N 3.33Å; C111-K113 PolarHBondContact O-N 2.84Å; K113-G115 VanDerWaalsContact C-N 3.27Å
114A90.4Very high86.1Confident58 Ų5855.2 Ų55.248%0.47929%0.29SS..Hα-helixtrans-79-7.1173.600000113.5L78 R110 C111 L112 I116L78-A114 HydrophobicContact CD1-CB 3.95Å; L78-A114 HydrophobicContact CD2-CB 4.44Å; R110-A114 WeakPolarHBondContact O-CB 3.3Å; R110-A114 PolarHBondContact O-N 3.01Å; C111-A114 CarbonylContact O-C 3.54Å; C111-A114 WeakPolarHBondContact O-CA 3.25Å; C111-A114 WeakPolarHBondContact O-CB 3.44Å; C111-A114 PolarHBondContact O-N 3.17Å; C111-A114 VanDerWaalsContact O-N 3.08Å; L112-A114 VanDerWaalsContact C-N 3.28Å; L112-A114 PolarHBondContact O-N 2.78Å; A114-I116 HydrophobicContact CB-CD1 4.47Å; A114-I116 HydrophobicContact CB-CG1 4.39Å
115G86Confident84.7Confident49 Ų4957.8 Ų57.851%0.50530%0.303SS..THydrogen-bonded Turntrans81.914.9-175.200000114.3C111 L112 K113 H117C111-G115 PolarHBondContact O-N 2.81Å; C111-G115 VanDerWaalsContact O-N 3.08Å; L112-G115 PolarHBondContact O-N 3.21Å; L112-G115 VanDerWaalsContact O-N 3.1Å; K113-G115 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-CD2 3.01Å
116I85.2Confident84Confident16 Ų1654.1 Ų54.18%0.08229%0.292CS..  trans-93.1104.3173.3-55.1174.6000107.9F50 V77 L78 C111 A114 V119 L138F50-I116 HydrophobicContact CE1-CG1 4.48Å; V77-I116 HydrophobicContact CG1-CD1 4.18Å; L78-I116 HydrophobicContact CD1-CD1 4.09Å; C111-I116 CarbonylContact C-O 3.59Å; C111-I116 HydrophobicContact CB-CB 4.15Å; C111-I116 WeakPolarHBondContact CB-O 3.49Å; C111-I116 PolarHBondContact O-N 3.45Å; A114-I116 HydrophobicContact CB-CD1 4.47Å; A114-I116 HydrophobicContact CB-CG1 4.39Å; I116-V119 HydrophobicContact CG2-CG2 3.61Å; I116-L138 WeakPolarHBondContact O-CD1 3.46Å
117H84.3Confident83.7Confident91 Ų9157.6 Ų57.642%0.42131%0.308SS..  trans-96.4-17.8-178.5-63.6-73.5000113.6L112 G115 V139L112-H117 VanDerWaalsContact CD2-ND1 3.28Å; L112-H117 WeakPolarHBondContact CD2-ND1 3.42Å; G115-H117 PolarHBondContact O-CD2 3.01Å; H117-V139 PolarHBondContact O-N 2.84Å; H117-V139 VanDerWaalsContact O-N 3.13Å
118F83.8Confident83.6Confident40 Ų4058.3 Ų58.318%0.17531%0.313CS..BIsolated β-bridgetrans-135.1129.6-170.9-48.8-81.4000109.5F47 L51 V139 F143F47-F118 HydrophobicContact CE1-CD2 4.13Å; F47-F118 HydrophobicContact CE1-CE2 4.36Å; F47-F118 HydrophobicContact CE2-CD2 4.34Å; F47-F118 AromaticContact CZ-CD2 3.43Å; F47-F118 HydrophobicContact CZ-CD2 3.43Å; F47-F118 VanDerWaalsContact CZ-CD2 3.43Å; F47-F118 AromaticContact CZ-CE2 3.64Å; F47-F118 HydrophobicContact CZ-CE2 3.64Å; F47-F118 HydrophobicContact CZ-CG 4.48Å; L51-F118 HydrophobicContact CD1-CB 3.2Å; L51-F118 HydrophobicContact CD1-CG 4.22Å; F118-V139 WeakPolarHBondContact CA-O 3.49Å; F118-V139 HydrophobicContact CD1-CB 3.65Å; F118-V139 HydrophobicContact CD1-CG1 4.04Å; F118-V139 HydrophobicContact CD1-CG2 4.3Å; F118-V139 HydrophobicContact CE1-CB 3.86Å; F118-V139 HydrophobicContact CE1-CG1 4.25Å; F118-V139 HydrophobicContact CE1-CG2 4Å; F118-F143 HydrophobicContact CD1-CD2 4.34Å; F118-F143 HydrophobicContact CD1-CE2 4.05Å; F118-F143 AromaticContact CE1-CD2 3.7Å; F118-F143 HydrophobicContact CE1-CD2 3.7Å; F118-F143 AromaticContact CE1-CE2 3.06Å; F118-F143 HydrophobicContact CE1-CE2 3.06Å; F118-F143 AromaticContact CE1-CZ 3.76Å; F118-F143 HydrophobicContact CE1-CZ 3.76Å; F118-F143 HydrophobicContact CZ-CD2 4.08Å; F118-F143 AromaticContact CZ-CE2 3.43Å; F118-F143 HydrophobicContact CZ-CE2 3.43Å; F118-F143 VanDerWaalsContact CZ-CE2 3.43Å; F118-F143 HydrophobicContact CZ-CZ 4.35Å
119V84.2Confident83.4Confident1 Ų158.5 Ų58.51%0.00631%0.314CS..  trans-143.9146178.6-163.20000109T54 V56 V69 I116 L138 V139 L140T54-V119 HydrophobicContact CG2-CG1 3.89Å; T54-V119 VanDerWaalsContact O-CG1 3.25Å; T54-V119 WeakPolarHBondContact O-CG1 3.29Å; V56-V119 HydrophobicContact CB-CG1 4.4Å; V56-V119 HydrophobicContact CG2-CB 3.85Å; V56-V119 HydrophobicContact CG2-CG1 3.31Å; V56-V119 HydrophobicContact CG2-CG2 4.42Å; V69-V119 HydrophobicContact CG1-CG1 4.37Å; I116-V119 HydrophobicContact CG2-CG2 3.61Å; V119-L138 HydrophobicContact CB-CD2 4.36Å; V119-L138 HydrophobicContact CG2-CD1 4.14Å; V119-L138 HydrophobicContact CG2-CD2 3.98Å; V119-L138 HydrophobicContact CG2-CG 4.37Å; V119-V139 PolarHBondContact N-O 3.36Å; V119-L140 CarbonylContact O-C 3.5Å; V119-L140 WeakPolarHBondContact O-CA 3.42Å
120N82.6Confident83.2Confident72 Ų7256.5 Ų56.539%0.38530%0.303SS..EExtended strand (participates in β ladder)trans-87.5138.1170.3-165.75.8000109.7T54 T55 V56T54-N120 PolarHBondContact O-N 2.85Å; T54-N120 VanDerWaalsContact O-N 3.08Å; T55-N120 CarbonylContact C-O 3.48Å; T55-N120 VanDerWaalsContact CA-O 3.27Å; T55-N120 WeakPolarHBondContact CA-O 3.28Å; V56-N120 PolarHBondContact N-O 3.26Å
121L77.4Confident83.1Confident21 Ų2155.9 Ų55.911%0.1131%0.308CS..EExtended strand (participates in β ladder)trans-94.5124.2177.7-177.365.1000110.1V56 F129 R130 L140V56-L121 HydrophobicContact CB-CD1 3.73Å; V56-L121 HydrophobicContact CG1-CD1 3.93Å; L121-F129 HydrophobicContact CD1-CD1 4.41Å; L121-F129 HydrophobicContact CD1-CE1 4.01Å; L121-R130 HydrophobicContact CD2-CG 3.36Å; L121-L140 HydrophobicContact CD2-CD1 4.49Å
122V75.4Confident83.2Confident62 Ų6255.9 Ų55.938%0.37631%0.308SS..PPolyproline II helixtrans-95.6122.7169.2176.60000107.8T55 V56T55-V122 VanDerWaalsContact CB-CG2 3.48Å; T55-V122 HydrophobicContact CG2-CG2 3.37Å; V56-V122 PolarHBondContact O-N 2.97Å
123L57.5Low83.2Confident120 Ų12053.4 Ų53.463%0.62830%0.295SS*.SBendtrans-49.9137.5175.5-76.2135.3000110.4D125L123-D125 HydrophobicContact CD2-CB 3.85Å; L123-D125 VanDerWaalsContact CD2-OD2 3.24Å; L123-D125 WeakPolarHBondContact CD2-OD2 3.29Å
124P57.1Low83.1Confident86 Ų8651.4 Ų51.456%0.55829%0.288SS*.  -116.3119.554.928.5-14.4000113.7S126P124-S126 PolarHBondContact O-N 3.33Å; P124-S126 VanDerWaalsContact O-N 3.08Å
125D64Low83.4Confident54 Ų5453.6 Ų53.629%0.28929%0.288SS..  trans-67.899.7-170.1-81.1-13.6000113.4L123 Q127 R130L123-D125 HydrophobicContact CD2-CB 3.85Å; L123-D125 VanDerWaalsContact CD2-OD2 3.24Å; L123-D125 WeakPolarHBondContact CD2-OD2 3.29Å; D125-Q127 PolarHBondContact O-N 3.47Å; D125-R130 IonicContact OD1-CZ 3.11Å; D125-R130 IonicContact OD1-NE 2.69Å; D125-R130 PolarHBondContact OD1-NE 3Å; D125-R130 IonicContact OD1-NH2 2.94Å; D125-R130 PolarHBondContact OD1-NH2 3.48Å; D125-R130 IonicContact OD2-CZ 2.95Å; D125-R130 IonicContact OD2-NE 3.12Å; D125-R130 PolarHBondContact OD2-NE 3.19Å; D125-R130 VanDerWaalsContact OD2-NE 3.12Å; D125-R130 IonicContact OD2-NH1 3.68Å; D125-R130 IonicContact OD2-NH2 2.88Å; D125-R130 PolarHBondContact OD2-NH2 2.99Å
126S80.8Confident83.8Confident18 Ų1853.5 Ų53.513%0.12628%0.278CS..  trans-77.7109.3146.5-57.80000107.1K60 P124 A128 F129 R130K60-S126 WeakPolarHBondContact CE-OG 3.38Å; K60-S126 PolarHBondContact NZ-OG 2.78Å; P124-S126 PolarHBondContact O-N 3.33Å; P124-S126 VanDerWaalsContact O-N 3.08Å; S126-A128 PolarHBondContact O-N 3.48Å; S126-A128 VanDerWaalsContact O-N 3.13Å; S126-F129 WeakPolarHBondContact O-CA 3.32Å; S126-F129 WeakPolarHBondContact O-CB 3.43Å; S126-F129 PolarHBondContact O-N 3.25Å; S126-R130 PolarHBondContact O-N 3.31Å
127Q89Confident84.1Confident122 Ų12254.9 Ų54.957%0.5730%0.296SS*.Hα-helixtrans-50.9-39.1177.5-69.4-62.6-20.700111.6D125 F129 R130 T131D125-Q127 PolarHBondContact O-N 3.47Å; Q127-F129 VanDerWaalsContact C-N 3.3Å; Q127-F129 PolarHBondContact O-N 3.08Å; Q127-R130 WeakPolarHBondContact O-CB 3.35Å; Q127-R130 PolarHBondContact O-N 3.31Å; Q127-R130 VanDerWaalsContact O-N 3.14Å; Q127-T131 PolarHBondContact O-N 3.32Å; Q127-T131 PolarHBondContact O-OG1 3.04Å
128A91.8Very high84.4Confident15 Ų1550.7 Ų50.712%0.12428%0.277CS..Hα-helixtrans-60.2-35.8175.700000113.9V97 L101 S126 G132V97-A128 HydrophobicContact CG1-CB 3.38Å; L101-A128 WeakPolarHBondContact CA-O 3.46Å; L101-A128 HydrophobicContact CB-CB 4.09Å; L101-A128 HydrophobicContact CD1-CB 4.42Å; S126-A128 PolarHBondContact O-N 3.48Å; S126-A128 VanDerWaalsContact O-N 3.13Å; A128-G132 PolarHBondContact O-N 3.28Å
129F91.7Very high84.5Confident4 Ų450.8 Ų50.82%0.01828%0.28CS..Hα-helixtrans-67.2-42.6175.5178.2-102.6000110.9V56 L58 A67 A100 L103 G104 L107 L121 S126 Q127 G132 L133V56-F129 HydrophobicContact CG1-CE1 3.55Å; V56-F129 HydrophobicContact CG1-CZ 3.59Å; L58-F129 HydrophobicContact CD1-CD2 3.79Å; L58-F129 HydrophobicContact CD1-CE2 3.82Å; L58-F129 HydrophobicContact CD1-CG 4.25Å; L58-F129 HydrophobicContact CD1-CZ 4.26Å; A67-F129 HydrophobicContact CB-CE2 3.81Å; A67-F129 HydrophobicContact CB-CZ 4Å; A100-F129 HydrophobicContact CB-CB 4.29Å; A100-F129 VanDerWaalsContact O-CD2 3.27Å; A100-F129 WeakPolarHBondContact O-CD2 3.48Å; L103-F129 HydrophobicContact CB-CE2 4.46Å; G104-F129 VanDerWaalsContact CA-CD2 3.46Å; G104-F129 VanDerWaalsContact CA-CE2 3.43Å; L107-F129 HydrophobicContact CD2-CE2 4.49Å; L107-F129 HydrophobicContact CD2-CZ 3.88Å; L121-F129 HydrophobicContact CD1-CD1 4.41Å; L121-F129 HydrophobicContact CD1-CE1 4.01Å; S126-F129 WeakPolarHBondContact O-CA 3.32Å; S126-F129 WeakPolarHBondContact O-CB 3.43Å; S126-F129 PolarHBondContact O-N 3.25Å; Q127-F129 VanDerWaalsContact C-N 3.3Å; Q127-F129 PolarHBondContact O-N 3.08Å; F129-G132 PolarHBondContact O-N 2.97Å; F129-L133 HydrophobicContact CD1-CD1 3.93Å; F129-L133 HydrophobicContact CE1-CD1 3.55Å; F129-L133 HydrophobicContact CE1-CG 4.27Å; F129-L133 HydrophobicContact CZ-CD1 4.06Å; F129-L133 HydrophobicContact CZ-CD2 4.31Å; F129-L133 HydrophobicContact CZ-CG 4.39Å; F129-L133 WeakPolarHBondContact O-CG 3.32Å; F129-L133 PolarHBondContact O-N 3.17Å; F129-L133 VanDerWaalsContact O-N 3.08Å
130R91.5Very high84.5Confident73 Ų7352.1 Ų52.128%0.27529%0.287SS..Hα-helixtrans-57.2-50.8173.1-74.1-176.8169.9-145-3.8111.6L121 D125 S126 Q127 G132 L133 E134 L140L121-R130 HydrophobicContact CD2-CG 3.36Å; D125-R130 IonicContact OD1-CZ 3.11Å; D125-R130 IonicContact OD1-NE 2.69Å; D125-R130 PolarHBondContact OD1-NE 3Å; D125-R130 IonicContact OD1-NH2 2.94Å; D125-R130 PolarHBondContact OD1-NH2 3.48Å; D125-R130 IonicContact OD2-CZ 2.95Å; D125-R130 IonicContact OD2-NE 3.12Å; D125-R130 PolarHBondContact OD2-NE 3.19Å; D125-R130 VanDerWaalsContact OD2-NE 3.12Å; D125-R130 IonicContact OD2-NH1 3.68Å; D125-R130 IonicContact OD2-NH2 2.88Å; D125-R130 PolarHBondContact OD2-NH2 2.99Å; S126-R130 PolarHBondContact O-N 3.31Å; Q127-R130 WeakPolarHBondContact O-CB 3.35Å; Q127-R130 PolarHBondContact O-N 3.31Å; Q127-R130 VanDerWaalsContact O-N 3.14Å; R130-G132 VanDerWaalsContact C-N 3.27Å; R130-G132 PolarHBondContact O-N 3.05Å; R130-L133 WeakPolarHBondContact O-CB 3.37Å; R130-L133 PolarHBondContact O-N 3.05Å; R130-E134 PolarHBondContact O-N 2.7Å; R130-L140 HydrophobicContact CB-CD1 4.39Å; R130-L140 HydrophobicContact CG-CD1 4.35Å
131T93.3Very high84.2Confident60 Ų6055.7 Ų55.737%0.36830%0.299SS..Hα-helixtrans-56.5-43.7177.8-49.50000111.1Q127 L133 E134 E135Q127-T131 PolarHBondContact O-N 3.32Å; Q127-T131 PolarHBondContact O-OG1 3.04Å; T131-L133 VanDerWaalsContact C-N 3.31Å; T131-L133 PolarHBondContact O-N 2.7Å; T131-E134 PolarHBondContact O-N 3.37Å; T131-E135 HydrophobicContact CG2-CG 4.35Å; T131-E135 WeakPolarHBondContact O-CB 3.34Å; T131-E135 VanDerWaalsContact O-CG 3.29Å; T131-E135 WeakPolarHBondContact O-CG 3.47Å; T131-E135 PolarHBondContact O-N 2.57Å
132G94.1Very high84Confident0 Ų058.3 Ų58.30%031%0.311CS..Hα-helixtrans-62.1-33.1176.800000114.4R105 A128 F129 R130R105-G132 WeakPolarHBondContact CA-O 3.32Å; R105-G132 WeakPolarHBondContact CG-O 3.15Å; R105-G132 PolarHBondContact N-O 3.35Å; A128-G132 PolarHBondContact O-N 3.28Å; F129-G132 PolarHBondContact O-N 2.97Å; R130-G132 VanDerWaalsContact C-N 3.27Å; R130-G132 PolarHBondContact O-N 3.05Å
133L93.2Very high83.7Confident0 Ų058.5 Ų58.50%031%0.307CS..Hα-helixtrans-71.1-44.7175.1-66.2169.7000111.6G104 L107 A108 F129 R130 T131 V136 L138 L140G104-L133 VanDerWaalsContact O-CD2 3.3Å; G104-L133 WeakPolarHBondContact O-CD2 3.43Å; L107-L133 HydrophobicContact CB-CD2 4.33Å; L107-L133 HydrophobicContact CD2-CD2 4.39Å; A108-L133 HydrophobicContact CB-CD2 3.86Å; F129-L133 HydrophobicContact CD1-CD1 3.93Å; F129-L133 HydrophobicContact CE1-CD1 3.55Å; F129-L133 HydrophobicContact CE1-CG 4.27Å; F129-L133 HydrophobicContact CZ-CD1 4.06Å; F129-L133 HydrophobicContact CZ-CD2 4.31Å; F129-L133 HydrophobicContact CZ-CG 4.39Å; F129-L133 WeakPolarHBondContact O-CG 3.32Å; F129-L133 PolarHBondContact O-N 3.17Å; F129-L133 VanDerWaalsContact O-N 3.08Å; R130-L133 WeakPolarHBondContact O-CB 3.37Å; R130-L133 PolarHBondContact O-N 3.05Å; T131-L133 VanDerWaalsContact C-N 3.31Å; T131-L133 PolarHBondContact O-N 2.7Å; L133-V136 PolarHBondContact O-N 3.24Å; L133-L138 HydrophobicContact CB-CB 4.46Å; L133-L138 HydrophobicContact CB-CD2 4.39Å; L133-L138 HydrophobicContact CD2-CD2 3.87Å; L133-L138 WeakPolarHBondContact O-CB 3.35Å; L133-L138 PolarHBondContact O-N 2.98Å; L133-L138 VanDerWaalsContact O-N 3.15Å; L133-L140 HydrophobicContact CB-CD2 4.13Å; L133-L140 HydrophobicContact CD1-CD1 4.45Å; L133-L140 HydrophobicContact CD1-CD2 3.8Å
134E92.6Very high84.3Confident117 Ų11760.9 Ų60.955%0.54732%0.315SS..Hα-helixtrans-68.7-38.4-177.7-69.8178.4165.800112.3R130 T131 V136 G137 L140R130-E134 PolarHBondContact O-N 2.7Å; T131-E134 PolarHBondContact O-N 3.37Å; E134-V136 PolarHBondContact O-N 2.93Å; E134-G137 WeakPolarHBondContact O-CA 2.97Å; E134-G137 PolarHBondContact O-N 3.31Å; E134-L140 HydrophobicContact CG-CD1 3.97Å; E134-L140 HydrophobicContact CG-CG 4.29Å
135E95.7Very high85Confident104 Ų10458 Ų5849%0.48630%0.295SS..Hα-helixtrans-57.7-35.3177.4-80.617817300113.1R105 T131 G137R105-E135 IonicContact CZ-OE2 2.7Å; R105-E135 IonicContact NE-OE2 2.82Å; R105-E135 PolarHBondContact NE-OE2 2.81Å; R105-E135 IonicContact NH2-OE1 2.8Å; R105-E135 PolarHBondContact NH2-OE1 2.86Å; R105-E135 IonicContact NH2-OE2 3.37Å; R105-E135 PolarHBondContact NH2-OE2 2.99Å; T131-E135 HydrophobicContact CG2-CG 4.35Å; T131-E135 WeakPolarHBondContact O-CB 3.34Å; T131-E135 VanDerWaalsContact O-CG 3.29Å; T131-E135 WeakPolarHBondContact O-CG 3.47Å; T131-E135 PolarHBondContact O-N 2.57Å; E135-G137 VanDerWaalsContact C-N 3.28Å
136V94.5Very high85.3Confident47 Ų4760.4 Ų60.429%0.28531%0.307SS..Hα-helixtrans-80.5-13.6178.7176.80000111.7R105 A108 F109 L112 L133 E134R105-V136 HydrophobicContact CB-CG2 3.99Å; R105-V136 HydrophobicContact CG-CG2 4.14Å; A108-V136 HydrophobicContact CB-CB 3.65Å; A108-V136 HydrophobicContact CB-CG1 3.79Å; A108-V136 HydrophobicContact CB-CG2 4.24Å; F109-V136 HydrophobicContact CB-CG1 4.33Å; L112-V136 HydrophobicContact CD1-CG1 3.72Å; L112-V136 WeakPolarHBondContact CD1-O 3.39Å; L133-V136 PolarHBondContact O-N 3.24Å; E134-V136 PolarHBondContact O-N 2.93Å
137G92.3Very high84.7Confident45 Ų4566.1 Ų66.146%0.46433%0.332SS..THydrogen-bonded Turntrans97.318.4179.100000114.3E134 E135E134-G137 WeakPolarHBondContact O-CA 2.97Å; E134-G137 PolarHBondContact O-N 3.31Å; E135-G137 VanDerWaalsContact C-N 3.28Å
138L89.7Confident83.5Confident4 Ų462.7 Ų62.72%0.02132%0.321CS..  trans-76.2125.4170.3-164.875000109.3A108 C111 I116 V119 L133 L140A108-L138 HydrophobicContact CB-CB 3.87Å; A108-L138 HydrophobicContact CB-CD2 4.37Å; C111-L138 HydrophobicContact CB-CD1 3.72Å; I116-L138 WeakPolarHBondContact O-CD1 3.46Å; V119-L138 HydrophobicContact CB-CD2 4.36Å; V119-L138 HydrophobicContact CG2-CD1 4.14Å; V119-L138 HydrophobicContact CG2-CD2 3.98Å; V119-L138 HydrophobicContact CG2-CG 4.37Å; L133-L138 HydrophobicContact CB-CB 4.46Å; L133-L138 HydrophobicContact CB-CD2 4.39Å; L133-L138 HydrophobicContact CD2-CD2 3.87Å; L133-L138 WeakPolarHBondContact O-CB 3.35Å; L133-L138 PolarHBondContact O-N 2.98Å; L133-L138 VanDerWaalsContact O-N 3.15Å; L138-L140 HydrophobicContact CD2-CD2 4.22Å
139V86.7Confident82Confident41 Ų4167.3 Ų67.325%0.24834%0.343CS..BIsolated β-bridgetrans-91.1114.2-178-177.60000109H117 F118 V119 K141H117-V139 PolarHBondContact O-N 2.84Å; H117-V139 VanDerWaalsContact O-N 3.13Å; F118-V139 WeakPolarHBondContact CA-O 3.49Å; F118-V139 HydrophobicContact CD1-CB 3.65Å; F118-V139 HydrophobicContact CD1-CG1 4.04Å; F118-V139 HydrophobicContact CD1-CG2 4.3Å; F118-V139 HydrophobicContact CE1-CB 3.86Å; F118-V139 HydrophobicContact CE1-CG1 4.25Å; F118-V139 HydrophobicContact CE1-CG2 4Å; V119-V139 PolarHBondContact N-O 3.36Å; V139-K141 VanDerWaalsContact C-N 3.27Å; V139-K141 HydrophobicContact CG1-CG 3.81Å; V139-K141 WeakPolarHBondContact CG1-O 3.27Å; V139-K141 PolarHBondContact O-N 2.72Å
140L83.9Confident80.3Confident29 Ų2972.6 Ų72.615%0.15236%0.364CS..  trans-82.8-3-177.7-56.2-177.6000114.1V119 L121 R130 L133 E134 L138V119-L140 CarbonylContact O-C 3.5Å; V119-L140 WeakPolarHBondContact O-CA 3.42Å; L121-L140 HydrophobicContact CD2-CD1 4.49Å; R130-L140 HydrophobicContact CB-CD1 4.39Å; R130-L140 HydrophobicContact CG-CD1 4.35Å; L133-L140 HydrophobicContact CB-CD2 4.13Å; L133-L140 HydrophobicContact CD1-CD1 4.45Å; L133-L140 HydrophobicContact CD1-CD2 3.8Å; E134-L140 HydrophobicContact CG-CD1 3.97Å; E134-L140 HydrophobicContact CG-CG 4.29Å; L138-L140 HydrophobicContact CD2-CD2 4.22Å
141K77Confident78.5Confident148 Ų14873.6 Ų73.664%0.64338%0.382SS*.SBendtrans-116.8147.1-178.965.6178.4-178.9-179.90110.8V139V139-K141 VanDerWaalsContact C-N 3.27Å; V139-K141 HydrophobicContact CG1-CG 3.81Å; V139-K141 WeakPolarHBondContact CG1-O 3.27Å; V139-K141 PolarHBondContact O-N 2.72Å
142E71.5Confident76.4Confident76 Ų7676.6 Ų76.636%0.35540%0.4SS..PPolyproline II helixtrans-69.3141.3167.2-166.2173.7-167.900109.9K25 F48 L51K25-E142 WeakPolarHBondContact CE-OE1 3.32Å; K25-E142 IonicContact NZ-OE1 3.11Å; K25-E142 PolarHBondContact NZ-OE1 2.82Å; K25-E142 IonicContact NZ-OE2 2.7Å; K25-E142 PolarHBondContact NZ-OE2 2.8Å; F48-E142 HydrophobicContact CD1-CG 4.43Å; F48-E142 WeakPolarHBondContact CD1-OE1 3.47Å; L51-E142 HydrophobicContact CD2-CB 3.59Å; L51-E142 HydrophobicContact CD2-CG 3.65Å
143F69.9Low74.2Confident65 Ų6579.4 Ų79.429%0.28542%0.415SS..PPolyproline II helixtrans-73.4145168.8-71.8-57.6000111.2R21 F118R21-F143 HydrophobicContact CG-CB 4.47Å; R21-F143 VanDerWaalsContact CZ-CD1 3.43Å; R21-F143 VanDerWaalsContact NH2-CG 3.26Å; F118-F143 HydrophobicContact CD1-CD2 4.34Å; F118-F143 HydrophobicContact CD1-CE2 4.05Å; F118-F143 AromaticContact CE1-CD2 3.7Å; F118-F143 HydrophobicContact CE1-CD2 3.7Å; F118-F143 AromaticContact CE1-CE2 3.06Å; F118-F143 HydrophobicContact CE1-CE2 3.06Å; F118-F143 AromaticContact CE1-CZ 3.76Å; F118-F143 HydrophobicContact CE1-CZ 3.76Å; F118-F143 HydrophobicContact CZ-CD2 4.08Å; F118-F143 AromaticContact CZ-CE2 3.43Å; F118-F143 HydrophobicContact CZ-CE2 3.43Å; F118-F143 VanDerWaalsContact CZ-CE2 3.43Å; F118-F143 HydrophobicContact CZ-CZ 4.35Å
144E70.8Confident72Confident171 Ų17187.8 Ų87.880%0.79945%0.451SS*.PPolyproline II helixtrans-66.3136.9172.2-67178.3-17700110.4
145T71.1Confident69.9Low24 Ų2491.5 Ų91.515%0.14746%0.46CS..PPolyproline II helixtrans-73.7134.4173.5-55.40000108.4R21 A23 K25 E147R21-T145 WeakPolarHBondContact O-CG2 3.48Å; A23-T145 WeakPolarHBondContact O-CG2 3.03Å; K25-T145 VanDerWaalsContact CE-OG1 3.26Å; K25-T145 WeakPolarHBondContact CE-OG1 3.44Å; T145-E147 PolarHBondContact O-N 2.69Å; T145-E147 VanDerWaalsContact O-N 3.16Å
146I71.4Confident67.5Low105 Ų10593.6 Ų93.654%0.53847%0.465SS..  trans-73.7108.5172.6-58.7170.4000106.8R21R21-I146 HydrophobicContact CB-CD1 4.39Å; R21-I146 HydrophobicContact CB-CG1 4.26Å; R21-I146 PolarHBondContact O-N 3.07Å
147E68.4Low64.9Low139 Ų13997.5 Ų97.565%0.6548%0.48SS*.  trans-71.3138.1175.1-61.5-163.7155.800110T145T145-E147 PolarHBondContact O-N 2.69Å; T145-E147 VanDerWaalsContact O-N 3.16Å
148P63.6Low62.5Low50 Ų50102.4 Ų102.433%0.32548%0.484SS..  trans-67.4139.217628.1-33.4000110.3Y150P148-Y150 HydrophobicContact CG-CE1 4.09Å; P148-Y150 HydrophobicContact CG-CE2 4.2Å; P148-Y150 VanDerWaalsContact O-CD2 3.29Å; P148-Y150 WeakPolarHBondContact O-CD2 3.36Å; P148-Y150 WeakPolarHBondContact O-CE2 3.4Å; P148-Y150 PolarHBondContact O-N 3.16Å
149D58.9Low60Low111 Ų111107.6 Ų107.659%0.59452%0.516SS*.  trans-75.4109.9170.8-174.8-1.2000109.7S151D149-S151 PolarHBondContact O-N 3.33Å; D149-S151 WeakPolarHBondContact OD1-CB 3.23Å; D149-S151 PolarHBondContact OD1-N 3.44Å; D149-S151 PolarHBondContact OD1-OG 3.32Å; D149-S151 PolarHBondContact OD2-OG 3.18Å
150Y56.8Low57.7Low115 Ų115111.1 Ų111.145%0.45154%0.541SS..THydrogen-bonded Turntrans-77.7-5.7-179.6-59.4-82.3000113.3R24 P148 V152R24-Y150 PolarHBondContact NH2-OH 3.29Å; R24-Y150 VanDerWaalsContact NH2-OH 3.14Å; P148-Y150 HydrophobicContact CG-CE1 4.09Å; P148-Y150 HydrophobicContact CG-CE2 4.2Å; P148-Y150 VanDerWaalsContact O-CD2 3.29Å; P148-Y150 WeakPolarHBondContact O-CD2 3.36Å; P148-Y150 WeakPolarHBondContact O-CE2 3.4Å; P148-Y150 PolarHBondContact O-N 3.16Å; Y150-V152 VanDerWaalsContact C-N 3.26Å; Y150-V152 PolarHBondContact O-N 3.17Å
151S52.5Low55.5Low95 Ų95117 Ų11766%0.66457%0.567SS**THydrogen-bonded Turntrans-67.3-28.3-17969.40000112.8D149D149-S151 PolarHBondContact O-N 3.33Å; D149-S151 WeakPolarHBondContact OD1-CB 3.23Å; D149-S151 PolarHBondContact OD1-N 3.44Å; D149-S151 PolarHBondContact OD1-OG 3.32Å; D149-S151 PolarHBondContact OD2-OG 3.18Å
152V50Low53.6Low122 Ų122114.8 Ų114.874%0.73956%0.562SS**SBendtrans-96.7-28.3-169.3-164.40000113.1Y150Y150-V152 VanDerWaalsContact C-N 3.26Å; Y150-V152 PolarHBondContact O-N 3.17Å
153D47.8Very low52.6Low59 Ų59116 Ų11632%0.31658%0.577SS.*  trans-150.4109.2179.7-165.9-4.7000112.8R155 Y156D153-R155 PolarHBondContact O-N 2.86Å; D153-R155 VanDerWaalsContact OD1-CB 3.23Å; D153-R155 WeakPolarHBondContact OD1-CB 3.21Å; D153-R155 VanDerWaalsContact OD1-CG 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.37Å; D153-R155 PolarHBondContact OD1-N 3.49Å; D153-Y156 HydrophobicContact CB-CD2 3.9Å; D153-Y156 HydrophobicContact CB-CE2 3.86Å
154K48.1Very low51.4Low177 Ų177117.1 Ų117.177%0.7759%0.586SS**G310 helixtrans-64.4-25.8175.9-68-178.7-178.11780111.2Y156 H157K154-Y156 PolarHBondContact O-N 3.26Å; K154-H157 VanDerWaalsContact C-CE1 3.47Å; K154-H157 PolarHBondContact O-CE1 3.15Å; K154-H157 PolarHBondContact O-ND1 3.13Å; K154-H157 PolarHBondContact O-NE2 2.92Å
155R46.9Very low50Low194 Ų194118.4 Ų118.473%0.73259%0.585SS**G310 helixtrans-68.5-2.3-170.7-59.8172.9-176169.92.2115.4D153 H157D153-R155 PolarHBondContact O-N 2.86Å; D153-R155 VanDerWaalsContact OD1-CB 3.23Å; D153-R155 WeakPolarHBondContact OD1-CB 3.21Å; D153-R155 VanDerWaalsContact OD1-CG 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.37Å; D153-R155 PolarHBondContact OD1-N 3.49Å; R155-H157 CarbonylContact O-C 3.59Å; R155-H157 PolarHBondContact O-N 3.14Å
156Y46.6Very low48.8Very low149 Ų149120 Ų12058%0.58461%0.606SS**G310 helixtrans-70.912.1172-76.4-77.4000114.6D153 K154 W158D153-Y156 HydrophobicContact CB-CD2 3.9Å; D153-Y156 HydrophobicContact CB-CE2 3.86Å; K154-Y156 PolarHBondContact O-N 3.26Å; Y156-W158 PolarHBondContact O-N 2.73Å
157H39.1Very low47.5Very low129 Ų129120.4 Ų120.460%0.59760%0.604SS**SBendtrans-75.599.6150.424.7-96.3000108.4K154 R155 V159K154-H157 VanDerWaalsContact C-CE1 3.47Å; K154-H157 PolarHBondContact O-CE1 3.15Å; K154-H157 PolarHBondContact O-ND1 3.13Å; K154-H157 PolarHBondContact O-NE2 2.92Å; R155-H157 CarbonylContact O-C 3.59Å; R155-H157 PolarHBondContact O-N 3.14Å; H157-V159 PolarHBondContact O-N 3.35Å
158W41.9Very low46.3Very low148 Ų148120.3 Ų120.356%0.56161%0.608SS**  trans7.678.3160.6-4991.3000115.4Y156 C160Y156-W158 PolarHBondContact O-N 2.73Å; W158-C160 PolarHBondContact O-N 2.98Å
159V37.8Very low45.7Very low113 Ų113126.4 Ų126.469%0.68563%0.63SS**  trans-78.7103.1151.8-174.40000103.8H157 H161H157-V159 PolarHBondContact O-N 3.35Å; V159-H161 PolarHBondContact O-N 3.02Å
160C37.2Very low44.9Very low114 Ų114125.9 Ų125.977%0.7764%0.635SS**  trans-54.2100.7160.6-690000105.4W158 N162W158-C160 PolarHBondContact O-N 2.98Å; C160-N162 VanDerWaalsContact C-N 3.29Å; C160-N162 PolarHBondContact O-N 2.96Å
161H38.2Very low44.1Very low152 Ų152125.3 Ų125.370%0.70465%0.654SS**  trans-65.7100-179.2-152-52.4000105.6V159 P163V159-H161 PolarHBondContact O-N 3.02Å; H161-P163 WeakPolarHBondContact O-CD 3.29Å
162N37.6Very low43.5Very low102 Ų102130.4 Ų130.455%0.54568%0.681SS.*  trans-62.3122176.1-141.64000105.1C160 D164 Y165C160-N162 VanDerWaalsContact C-N 3.29Å; C160-N162 PolarHBondContact O-N 2.96Å; N162-D164 PolarHBondContact O-N 2.83Å; N162-Y165 WeakPolarHBondContact O-CB 3.15Å; N162-Y165 PolarHBondContact O-N 3.08Å
163P49.5Very low43.1Very low101 Ų101130.9 Ų130.966%0.65668%0.678SS**THydrogen-bonded Turntrans-62.8-9.4-176.222.9-32.3000113.2H161H161-P163 WeakPolarHBondContact O-CD 3.29Å
164D44.6Very low42.9Very low89 Ų89134.6 Ų134.648%0.47670%0.697SS.*THydrogen-bonded Turntrans-97-0.7176-56.5-45.2000113.6N162 G166 K167N162-D164 PolarHBondContact O-N 2.83Å; D164-G166 PolarHBondContact O-N 3.12Å; D164-G166 VanDerWaalsContact O-N 3.14Å; D164-K167 PolarHBondContact O-N 2.65Å; D164-K167 VanDerWaalsContact O-N 3.12Å; D164-K167 IonicContact OD1-NZ 3.14Å; D164-K167 PolarHBondContact OD1-NZ 2.66Å
165Y42.1Very low42.6Very low198 Ų198132.3 Ų132.378%0.77669%0.693SS**THydrogen-bonded Turntrans-72.9106.6172.7-135-93000109.3N162N162-Y165 WeakPolarHBondContact O-CB 3.15Å; N162-Y165 PolarHBondContact O-N 3.08Å
166G46.5Very low42.3Very low58 Ų58128.6 Ų128.660%0.59869%0.691SS**THydrogen-bonded Turntrans103.9-0.5-172.800000114.6D164 D168D164-G166 PolarHBondContact O-N 3.12Å; D164-G166 VanDerWaalsContact O-N 3.14Å; G166-D168 WeakPolarHBondContact CA-OD1 3.24Å; G166-D168 PolarHBondContact O-N 2.52Å
167K44.2Very low42.1Very low113 Ų113127.4 Ų127.449%0.49170%0.698SS.*  trans-85.864157-68.8-175-162.41520108.2D164 F169D164-K167 PolarHBondContact O-N 2.65Å; D164-K167 VanDerWaalsContact O-N 3.12Å; D164-K167 IonicContact OD1-NZ 3.14Å; D164-K167 PolarHBondContact OD1-NZ 2.66Å; K167-F169 HydrophobicContact CB-CD2 4.32Å; K167-F169 HydrophobicContact CB-CE2 3.95Å; K167-F169 HydrophobicContact CB-CZ 4.44Å; K167-F169 HydrophobicContact CD-CE2 4.35Å; K167-F169 HydrophobicContact CD-CZ 4.22Å; K167-F169 WeakPolarHBondContact O-CD2 3.4Å; K167-F169 PolarHBondContact O-N 3.38Å
168D43.2Very low42.3Very low137 Ų137127.3 Ų127.373%0.73371%0.705SS**  trans-69.292.6163.7-35.9-24.9000102.3G166 S170G166-D168 WeakPolarHBondContact CA-OD1 3.24Å; G166-D168 PolarHBondContact O-N 2.52Å; D168-S170 PolarHBondContact O-N 3.22Å
169F50.2Low42.3Very low179 Ų179125.8 Ų125.879%0.78572%0.715SS**  trans-62.287.7166.7-68.5-86.9000104.5K167 A171K167-F169 HydrophobicContact CB-CD2 4.32Å; K167-F169 HydrophobicContact CB-CE2 3.95Å; K167-F169 HydrophobicContact CB-CZ 4.44Å; K167-F169 HydrophobicContact CD-CE2 4.35Å; K167-F169 HydrophobicContact CD-CZ 4.22Å; K167-F169 WeakPolarHBondContact O-CD2 3.4Å; K167-F169 PolarHBondContact O-N 3.38Å; F169-A171 VanDerWaalsContact C-N 3.34Å; F169-A171 PolarHBondContact O-N 2.78Å
170S41.8Very low42.7Very low100 Ų100126.8 Ų126.870%0.69972%0.717SS**  trans-51.6107.3169.452.70000105.3D168 T172D168-S170 PolarHBondContact O-N 3.22Å; S170-T172 PolarHBondContact O-N 3.42Å
171A39.5Very low43.1Very low102 Ų102127.8 Ų127.884%0.84371%0.713SS**  trans-53.4114.9177.700000108.4F169F169-A171 VanDerWaalsContact C-N 3.34Å; F169-A171 PolarHBondContact O-N 2.78Å
172T40Very low43.6Very low203 Ų203125.6 Ų125.6100%1.24571%0.713SS**  trans-148.20159.8-34.80000106S170S170-T172 PolarHBondContact O-N 3.42Å

Retrieved 172 of 172 residues in 83.3 ms (Link to these results)

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