A0A061IGN3_CRIGR Loading...

E3 ubiquitin-protein ligase RNF138

AlphaFold DB , UniProt , Accession A0A061IGN3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rnf138, Length 245 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
1M33.5Very low48Very low236 Ų236123.8 Ų123.8100%1.16373%0.725SS**  079.80-67-172.7172.300106
2S38.6Very low50.8Low92 Ų92119.5 Ų119.564%0.64370%0.701SS**  92.799.585.9-74.30000107.8
3E42.2Very low53Low164 Ų164117.8 Ų117.877%0.76668%0.683SS**  93.6132.496.9-82.5167130.400108.2
4E43.5Very low55.1Low161 Ų161117.7 Ų117.775%0.75268%0.678SS**  cis-160.6146.945-85.9-153.2105.600114.7
5L45.6Very low57.3Low145 Ų145115.1 Ų115.176%0.75966%0.661SS**  trans24.2101.6141.7-78.267000119.1
6S39.4Very low59.4Low118 Ų118107.9 Ų107.983%0.82562%0.62SS**  trans-98.5100.5139.748.80000107.5A8S6-A8 PolarHBondContact O-N 3.32Å
7A39.5Very low61.3Low84 Ų84103.1 Ų103.169%0.69459%0.589SS**  trans-51107.3173.800000109T9A7-T9 PolarHBondContact O-N 3.1Å
8A45.1Very low63.1Low97 Ų9797.4 Ų97.480%0.80256%0.557SS**  trans-71.582171.900000107.6S6 S10S6-A8 PolarHBondContact O-N 3.32Å; A8-S10 PolarHBondContact O-N 3.38Å
9T57.1Low64.5Low89 Ų8995.6 Ų95.655%0.54655%0.549SS..  trans-57.1105.7157.637.20000106.5A7 Y11A7-T9 PolarHBondContact O-N 3.1Å; T9-Y11 VanDerWaalsContact C-N 3.32Å; T9-Y11 WeakPolarHBondContact O-CD2 3.46Å; T9-Y11 WeakPolarHBondContact O-CE2 3.48Å; T9-Y11 PolarHBondContact O-N 3.36Å; T9-Y11 WeakPolarHBondContact OG1-CE2 3.29Å; T9-Y11 PolarHBondContact OG1-OH 2.73Å
10S70.3Confident65.8Low109 Ų10994.1 Ų94.176%0.76254%0.541SS*.  trans-69.290.8174.654.70000108.4A8A8-S10 PolarHBondContact O-N 3.38Å
11Y73.3Confident66.9Low67 Ų6791.7 Ų91.726%0.26353%0.53SS..  trans-70.2130.2172.3-64.4-81.2000109.6T9 D15 F16 L75 I78T9-Y11 VanDerWaalsContact C-N 3.32Å; T9-Y11 WeakPolarHBondContact O-CD2 3.46Å; T9-Y11 WeakPolarHBondContact O-CE2 3.48Å; T9-Y11 PolarHBondContact O-N 3.36Å; T9-Y11 WeakPolarHBondContact OG1-CE2 3.29Å; T9-Y11 PolarHBondContact OG1-OH 2.73Å; Y11-D15 WeakPolarHBondContact CA-OD2 3.43Å; Y11-D15 HydrophobicContact CD1-CB 4.39Å; Y11-F16 HydrophobicContact CG-CZ 4.41Å; Y11-L75 HydrophobicContact CD1-CD1 4.45Å; Y11-L75 HydrophobicContact CE1-CD1 4.2Å; Y11-I78 HydrophobicContact CD2-CD1 4.16Å; Y11-I78 HydrophobicContact CD2-CG2 3.99Å; Y11-I78 HydrophobicContact CE1-CD1 4.01Å; Y11-I78 HydrophobicContact CE2-CD1 3.39Å; Y11-I78 HydrophobicContact CE2-CG1 4.23Å; Y11-I78 HydrophobicContact CE2-CG2 4.32Å; Y11-I78 HydrophobicContact CG-CG2 4.2Å; Y11-I78 WeakPolarHBondContact OH-CD1 3.48Å
12T81.6Confident69.6Low72 Ų7287.3 Ų87.344%0.44251%0.506SS..  trans-94.9164.9172.864.40000110.1D14 D15 F16T12-D14 PolarHBondContact O-N 3.13Å; T12-D15 PolarHBondContact N-OD2 3.42Å; T12-D15 PolarHBondContact O-N 3.06Å; T12-D15 PolarHBondContact OG1-OD2 3.38Å; T12-F16 WeakPolarHBondContact O-CD2 3.46Å; T12-F16 WeakPolarHBondContact O-CE2 3.43Å
13E79.5Confident72.1Confident98 Ų9885.7 Ų85.746%0.45849%0.489SS..G310 helixtrans-60.6-30.4178-66.2-167.1159.600112D15 F16 Y17 F95E13-D15 VanDerWaalsContact C-N 3.34Å; E13-D15 PolarHBondContact O-N 3.44Å; E13-F16 PolarHBondContact O-N 3.47Å; E13-Y17 WeakPolarHBondContact O-CD2 3.26Å; E13-Y17 WeakPolarHBondContact O-CE2 3.5Å; E13-F95 HydrophobicContact CB-CZ 4.08Å; E13-F95 HydrophobicContact CG-CZ 4.2Å
14D82.6Confident74.4Confident116 Ų11677.9 Ų77.962%0.6245%0.452SS*.G310 helixtrans-69.1-27.1-178.3-68.4-57.3000113.7T12 F16 Y17T12-D14 PolarHBondContact O-N 3.13Å; D14-F16 PolarHBondContact O-N 3.32Å; D14-F16 VanDerWaalsContact O-N 3.07Å; D14-Y17 PolarHBondContact O-N 3.15Å; D14-Y17 VanDerWaalsContact O-N 3.08Å
15D88.1Confident76.8Confident78 Ų7870.7 Ų70.742%0.41742%0.419SS..G310 helixtrans-64.4-16.8179.3-64.4-45.8000113.2Y11 T12 E13Y11-D15 WeakPolarHBondContact CA-OD2 3.43Å; Y11-D15 HydrophobicContact CD1-CB 4.39Å; T12-D15 PolarHBondContact N-OD2 3.42Å; T12-D15 PolarHBondContact O-N 3.06Å; T12-D15 PolarHBondContact OG1-OD2 3.38Å; E13-D15 VanDerWaalsContact C-N 3.34Å; E13-D15 PolarHBondContact O-N 3.44Å
16F91.3Very high78.9Confident1 Ų169 Ų690%0.00441%0.405CS..G310 helixtrans-934.6179.4-56.5-65.2000113.5Y11 T12 E13 D14 V24 L25 L75 I78 M79 F82 F95Y11-F16 HydrophobicContact CG-CZ 4.41Å; T12-F16 WeakPolarHBondContact O-CD2 3.46Å; T12-F16 WeakPolarHBondContact O-CE2 3.43Å; E13-F16 PolarHBondContact O-N 3.47Å; D14-F16 PolarHBondContact O-N 3.32Å; D14-F16 VanDerWaalsContact O-N 3.07Å; F16-V24 CarbonylContact O-C 3.49Å; F16-V24 VanDerWaalsContact O-CA 3.27Å; F16-V24 WeakPolarHBondContact O-CA 3.44Å; F16-L25 WeakPolarHBondContact O-CG 3.4Å; F16-L25 PolarHBondContact O-N 3.42Å; F16-L75 HydrophobicContact CD1-CD1 4.15Å; F16-L75 HydrophobicContact CE1-CD1 3.84Å; F16-I78 HydrophobicContact CE1-CB 4.37Å; F16-I78 HydrophobicContact CE1-CG2 3.65Å; F16-I78 HydrophobicContact CZ-CG2 3.56Å; F16-M79 HydrophobicContact CD1-CG 3.33Å; F16-M79 HydrophobicContact CD1-SD 4.35Å; F16-M79 HydrophobicContact CE1-CG 3.74Å; F16-M79 HydrophobicContact CG-CG 4.28Å; F16-F82 HydrophobicContact CE2-CB 4.13Å; F16-F82 HydrophobicContact CE2-CD1 4.44Å; F16-F82 HydrophobicContact CE2-CG 4.3Å; F16-F82 HydrophobicContact CZ-CB 4.1Å; F16-F82 HydrophobicContact CZ-CD2 4.4Å; F16-F82 HydrophobicContact CZ-CG 4.11Å; F16-F95 HydrophobicContact CB-CD1 3.63Å; F16-F95 HydrophobicContact CB-CD2 4.41Å; F16-F95 HydrophobicContact CB-CE1 3.79Å; F16-F95 HydrophobicContact CB-CG 3.96Å; F16-F95 HydrophobicContact CB-CZ 4.25Å; F16-F95 HydrophobicContact CD2-CD1 4.23Å; F16-F95 AromaticContact CD2-CD2 3.61Å; F16-F95 HydrophobicContact CD2-CD2 3.61Å; F16-F95 HydrophobicContact CD2-CE1 4.03Å; F16-F95 AromaticContact CD2-CE2 3.37Å; F16-F95 HydrophobicContact CD2-CE2 3.37Å; F16-F95 HydrophobicContact CD2-CG 4.04Å; F16-F95 AromaticContact CD2-CZ 3.6Å; F16-F95 HydrophobicContact CD2-CZ 3.6Å; F16-F95 HydrophobicContact CE2-CD2 4.01Å; F16-F95 AromaticContact CE2-CE2 3.79Å; F16-F95 HydrophobicContact CE2-CE2 3.79Å; F16-F95 HydrophobicContact CE2-CZ 4.4Å; F16-F95 HydrophobicContact CG-CD1 4.09Å; F16-F95 AromaticContact CG-CD2 3.96Å; F16-F95 HydrophobicContact CG-CD2 3.96Å; F16-F95 HydrophobicContact CG-CE1 4.25Å; F16-F95 HydrophobicContact CG-CE2 4.13Å; F16-F95 AromaticContact CG-CG 3.95Å; F16-F95 HydrophobicContact CG-CG 3.95Å; F16-F95 HydrophobicContact CG-CZ 4.26Å
17Y91.9Very high81.4Confident26 Ų2666 Ų6610%0.10238%0.382CS..BIsolated β-bridgetrans-103.6140.4179.9-69.3-92.9000111.8E13 D14 P19 V24 F95E13-Y17 WeakPolarHBondContact O-CD2 3.26Å; E13-Y17 WeakPolarHBondContact O-CE2 3.5Å; D14-Y17 PolarHBondContact O-N 3.15Å; D14-Y17 VanDerWaalsContact O-N 3.08Å; Y17-P19 WeakPolarHBondContact O-CD 3.22Å; Y17-V24 HydrophobicContact CD1-CG2 4.08Å; Y17-V24 HydrophobicContact CE1-CG2 3.54Å; Y17-F95 HydrophobicContact CE2-CE1 4.02Å
18C92.2Very high84Confident1 Ų162 Ų621%0.00735%0.349CS..  trans-79.6124.4178.1-174.70000110.2V20 C21 Q22 E23 L25 C39C18-V20 PolarHBondContact O-N 2.91Å; C18-V20 VanDerWaalsContact O-N 3.14Å; C18-C21 PolarHBondContact O-N 3.46Å; C18-Q22 WeakPolarHBondContact O-CA 3.42Å; C18-Q22 PolarHBondContact O-N 3.27Å; C18-E23 WeakPolarHBondContact CB-O 3.38Å; C18-E23 PolarHBondContact N-O 3.16Å; C18-L25 HydrophobicContact CB-CD2 3.74Å; C18-L25 HydrophobicContact CB-CG 4.46Å; C18-C39 VanDerWaalsContact CB-SG 3.53Å; C18-C39 PolarHBondContact SG-N 2.92Å; C18-C39 VanDerWaalsContact SG-SG 3.69Å
19P90.9Very high86.3Confident62 Ų6257.5 Ų57.540%0.40331%0.311SS..THydrogen-bonded Turntrans-68-17.5-178.7-29.843000114.6Y17 V37 L56Y17-P19 WeakPolarHBondContact O-CD 3.22Å; P19-V37 WeakPolarHBondContact CD-O 3.16Å; P19-L56 HydrophobicContact CB-CD1 3.73Å; P19-L56 HydrophobicContact CB-CD2 3.27Å; P19-L56 HydrophobicContact CB-CG 3.93Å; P19-L56 HydrophobicContact CG-CD1 3.6Å; P19-L56 HydrophobicContact CG-CD2 4.05Å; P19-L56 HydrophobicContact CG-CG 4.36Å
20V89.9Confident88Confident66 Ų6656.7 Ų56.740%0.430%0.298SS..THydrogen-bonded Turntrans-83.8-50.2178.5176.70000111.8C18 F38 C42 P55C18-V20 PolarHBondContact O-N 2.91Å; C18-V20 VanDerWaalsContact O-N 3.14Å; V20-F38 HydrophobicContact CG2-CD1 3.63Å; V20-F38 HydrophobicContact CG2-CE1 3.8Å; V20-C42 HydrophobicContact CB-CB 3.81Å; V20-C42 HydrophobicContact CG1-CB 3.78Å; V20-C42 HydrophobicContact CG2-CB 4.33Å; V20-P55 HydrophobicContact CG2-CB 3.87Å; V20-P55 HydrophobicContact CG2-CG 4.44Å
21C89.8Confident89Confident44 Ų4451.6 Ų51.630%0.29726%0.263SS..THydrogen-bonded Turntrans-102.1-3.6-177.173.70000114.1C18 E23 R99C18-C21 PolarHBondContact O-N 3.46Å; C21-E23 PolarHBondContact O-N 3.11Å; C21-R99 PolarHBondContact SG-NH2 2.99Å; C21-R99 VanDerWaalsContact SG-NH2 3.44Å
22Q89.9Confident89.6Confident143 Ų14351.7 Ų51.767%0.66828%0.278SS*.  trans56.911.4-179.4-54.8179.213.900115.4C18C18-Q22 WeakPolarHBondContact O-CA 3.42Å; C18-Q22 PolarHBondContact O-N 3.27Å
23E89.8Confident89.8Confident59 Ų5951.7 Ų51.728%0.27629%0.285SS..SBendtrans-98.1160.2173-61.3-166.313500110.9C18 C21 L25 R99 Y108C18-E23 WeakPolarHBondContact CB-O 3.38Å; C18-E23 PolarHBondContact N-O 3.16Å; C21-E23 PolarHBondContact O-N 3.11Å; E23-L25 PolarHBondContact O-N 2.76Å; E23-R99 IonicContact OE2-CZ 2.76Å; E23-R99 IonicContact OE2-NE 3.79Å; E23-R99 IonicContact OE2-NH1 3.18Å; E23-R99 PolarHBondContact OE2-NH1 3.38Å; E23-R99 IonicContact OE2-NH2 3.06Å; E23-Y108 PolarHBondContact OE1-OH 3.23Å
24V91.9Very high90.2Very high0 Ų048.8 Ų48.80%028%0.275CS..BIsolated β-bridgetrans-49.5136.4171.9177.10000110.7F16 Y17 K26 M79 F95 M98 R99F16-V24 CarbonylContact O-C 3.49Å; F16-V24 VanDerWaalsContact O-CA 3.27Å; F16-V24 WeakPolarHBondContact O-CA 3.44Å; Y17-V24 HydrophobicContact CD1-CG2 4.08Å; Y17-V24 HydrophobicContact CE1-CG2 3.54Å; V24-K26 PolarHBondContact O-N 3.46Å; V24-M79 HydrophobicContact CG1-CE 3.52Å; V24-F95 HydrophobicContact CG1-CB 4.28Å; V24-F95 HydrophobicContact CG1-CD1 3.91Å; V24-F95 HydrophobicContact CG2-CD1 4.05Å; V24-F95 HydrophobicContact CG2-CE1 4.41Å; V24-M98 HydrophobicContact CB-CB 4.39Å; V24-M98 HydrophobicContact CG1-CB 4.34Å; V24-M98 HydrophobicContact CG2-CB 3.97Å; V24-M98 HydrophobicContact CG2-CG 3.76Å; V24-R99 HydrophobicContact CB-CG 4.49Å; V24-R99 PolarHBondContact O-NE 2.96Å; V24-R99 PolarHBondContact O-NH2 3.3Å
25L92.5Very high90.5Very high9 Ų950.1 Ų50.15%0.04728%0.277CS..PPolyproline II helixtrans-55137.5-175.4-72.2162000112.1F16 C18 E23 P28 V37 F38 L75 M79F16-L25 WeakPolarHBondContact O-CG 3.4Å; F16-L25 PolarHBondContact O-N 3.42Å; C18-L25 HydrophobicContact CB-CD2 3.74Å; C18-L25 HydrophobicContact CB-CG 4.46Å; E23-L25 PolarHBondContact O-N 2.76Å; L25-P28 HydrophobicContact CB-CB 4.19Å; L25-P28 HydrophobicContact CD1-CB 4.24Å; L25-P28 HydrophobicContact CD2-CB 4.44Å; L25-V37 HydrophobicContact CD1-CG1 3.84Å; L25-V37 HydrophobicContact CD2-CG1 4.12Å; L25-F38 VanDerWaalsContact CD2-C 3.47Å; L25-L75 HydrophobicContact CD1-CD2 3.53Å; L25-M79 HydrophobicContact CB-CE 4.08Å; L25-M79 HydrophobicContact CB-SD 4.17Å; L25-M79 WeakPolarHBondContact O-CE 3.15Å
26K91Very high90.7Very high110 Ų11049.3 Ų49.348%0.47827%0.271SS..SBendtrans-123.4120.3171.8-180174.5-177.6174.90108.6V24 C39V24-K26 PolarHBondContact O-N 3.46Å; K26-C39 PolarHBondContact N-SG 2.95Å; K26-C39 WeakPolarHBondContact O-CA 3.24Å; K26-C39 WeakPolarHBondContact O-CB 3.46Å
27T92.3Very high90.7Very high54 Ų5450.6 Ų50.633%0.33128%0.279SS..SBendtrans48.766.6-172.944.40000109.5V29 R40T27-V29 PolarHBondContact O-N 2.57Å; T27-R40 WeakPolarHBondContact O-CB 3.36Å; T27-R40 PolarHBondContact O-N 3Å
28P93.1Very high90.8Very high2 Ų249.4 Ų49.41%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-59.2133.1-176.126.1-35.1000110.7L25 V37 F38 R71 A72 L75 E76 M79L25-P28 HydrophobicContact CB-CB 4.19Å; L25-P28 HydrophobicContact CD1-CB 4.24Å; L25-P28 HydrophobicContact CD2-CB 4.44Å; P28-V37 HydrophobicContact CB-CG1 3.65Å; P28-F38 CarbonylContact C-O 3.32Å; P28-F38 VanDerWaalsContact CA-O 3.24Å; P28-F38 WeakPolarHBondContact CA-O 3.47Å; P28-R71 WeakPolarHBondContact O-CA 3.46Å; P28-A72 HydrophobicContact CB-CB 4.25Å; P28-A72 HydrophobicContact CG-CB 4.39Å; P28-A72 PolarHBondContact O-N 3.07Å; P28-L75 HydrophobicContact CB-CD2 4.07Å; P28-L75 HydrophobicContact CG-CB 4.48Å; P28-L75 HydrophobicContact CG-CD2 4.43Å; P28-E76 VanDerWaalsContact CD-CG 3.5Å; P28-E76 HydrophobicContact CG-CG 3.46Å; P28-E76 VanDerWaalsContact CG-CG 3.46Å; P28-M79 HydrophobicContact CG-SD 4.48Å
29V94.1Very high90.9Very high1 Ų149.5 Ų49.51%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-116.4139.6172.8-65.80000108.6T27 V37 F38 R40 F43 P69 E70T27-V29 PolarHBondContact O-N 2.57Å; V29-V37 VanDerWaalsContact O-CA 3.29Å; V29-V37 WeakPolarHBondContact O-CA 3.17Å; V29-F38 HydrophobicContact CG2-CB 4.19Å; V29-F38 WeakPolarHBondContact CG2-O 3.44Å; V29-F38 PolarHBondContact N-O 3.24Å; V29-F38 PolarHBondContact O-N 2.98Å; V29-R40 HydrophobicContact CG1-CB 3.84Å; V29-R40 HydrophobicContact CG1-CG 4.1Å; V29-F43 HydrophobicContact CG2-CB 3.64Å; V29-F43 HydrophobicContact CG2-CD1 4.3Å; V29-F43 HydrophobicContact CG2-CG 3.92Å; V29-P69 HydrophobicContact CB-CB 4.02Å; V29-P69 HydrophobicContact CG1-CB 3.88Å; V29-P69 HydrophobicContact CG1-CG 4.01Å; V29-P69 HydrophobicContact CG2-CB 4.42Å; V29-E70 VanDerWaalsContact CA-O 3.25Å; V29-E70 WeakPolarHBondContact CA-O 3.39Å; V29-E70 WeakPolarHBondContact CB-O 3.21Å
30R92.3Very high91Very high72 Ų7251.8 Ų51.827%0.27228%0.275SS..EExtended strand (participates in β ladder)trans-112.2132179.4-174.6177.7-70.2135.8-2.9109Q35 H36 V37 E70 A72 D74R30-Q35 HydrophobicContact CG-CB 4.4Å; R30-H36 WeakPolarHBondContact CA-O 3.35Å; R30-V37 HydrophobicContact CB-CG2 4.3Å; R30-V37 HydrophobicContact CG-CG2 4.2Å; R30-E70 PolarHBondContact N-O 3.5Å; R30-A72 HydrophobicContact CB-CB 4.13Å; R30-D74 IonicContact CZ-OD1 3.58Å; R30-D74 IonicContact CZ-OD2 3.44Å; R30-D74 VanDerWaalsContact CZ-OD2 3.29Å; R30-D74 IonicContact NH1-OD1 3.11Å; R30-D74 PolarHBondContact NH1-OD1 2.88Å; R30-D74 IonicContact NH1-OD2 2.69Å; R30-D74 PolarHBondContact NH1-OD2 3.02Å; R30-D74 IonicContact NH2-OD1 3.29Å; R30-D74 IonicContact NH2-OD2 3.73Å; R30-D74 PolarHBondContact NH2-OD2 2.71Å
31T90.2Very high91.1Very high2 Ų255.8 Ų55.81%0.01229%0.288CS..  trans-73.8133.1172.249.80000109.9C34 Q35 H36 F38 F43 V61T31-C34 PolarHBondContact OG1-SG 3.24Å; T31-Q35 WeakPolarHBondContact O-CA 3.48Å; T31-Q35 PolarHBondContact O-N 3.11Å; T31-Q35 PolarHBondContact OG1-N 3.08Å; T31-H36 PolarHBondContact N-O 3.3Å; T31-H36 PolarHBondContact OG1-N 3.03Å; T31-H36 PolarHBondContact OG1-O 3.31Å; T31-H36 VanDerWaalsContact OG1-O 3.12Å; T31-F38 HydrophobicContact CG2-CD2 4.46Å; T31-F38 HydrophobicContact CG2-CE2 4.13Å; T31-F43 HydrophobicContact CG2-CD2 4.32Å; T31-F43 HydrophobicContact CG2-CE2 3.65Å; T31-F43 HydrophobicContact CG2-CZ 4.44Å; T31-V61 HydrophobicContact CG2-CG2 4.5Å
32A86.2Confident91.2Very high70 Ų7054.7 Ų54.758%0.57928%0.28SS*.THydrogen-bonded Turntrans-69.9-40.2-176.900000112E65A32-E65 WeakPolarHBondContact CB-OE1 3.38Å; A32-E65 PolarHBondContact N-OE1 3.26Å
33A85.4Confident91.3Very high71 Ų7148 Ų4859%0.58725%0.249SC*.THydrogen-bonded Turntrans-73.7-38.4-175.400000113.6
34C88.3Confident91.3Very high37 Ų3747.4 Ų47.425%0.2525%0.247CC..THydrogen-bonded Turntrans-124.53.3-173.458.90000114.5T31 H36 C57T31-C34 PolarHBondContact OG1-SG 3.24Å; C34-H36 PolarHBondContact O-N 3.11Å; C34-H36 PolarHBondContact O-ND1 3.35Å; C34-H36 PolarHBondContact SG-ND1 3.15Å; C34-C57 PolarHBondContact SG-SG 3.32Å
35Q89.8Confident91.2Very high144 Ų14450.7 Ų50.767%0.67327%0.267SS*.  trans5712.2175-58.5-170.148.900116.3R30 T31R30-Q35 HydrophobicContact CG-CB 4.4Å; T31-Q35 WeakPolarHBondContact O-CA 3.48Å; T31-Q35 PolarHBondContact O-N 3.11Å; T31-Q35 PolarHBondContact OG1-N 3.08Å
36H91.2Very high91.1Very high62 Ų6250.9 Ų50.929%0.28727%0.27SS..  trans-68.2141173.8-73.3113.2000111.7R30 T31 C34 F38 L56 C57R30-H36 WeakPolarHBondContact CA-O 3.35Å; T31-H36 PolarHBondContact N-O 3.3Å; T31-H36 PolarHBondContact OG1-N 3.03Å; T31-H36 PolarHBondContact OG1-O 3.31Å; T31-H36 VanDerWaalsContact OG1-O 3.12Å; C34-H36 PolarHBondContact O-N 3.11Å; C34-H36 PolarHBondContact O-ND1 3.35Å; C34-H36 PolarHBondContact SG-ND1 3.15Å; H36-F38 HydrophobicContact CB-CE2 3.59Å; H36-F38 HydrophobicContact CB-CZ 3.83Å; H36-L56 HydrophobicContact CB-CD1 3.91Å; H36-C57 VanDerWaalsContact CE1-SG 3.53Å; H36-C57 PolarHBondContact ND1-SG 2.98Å; H36-C57 VanDerWaalsContact ND1-SG 3.45Å
37V92.4Very high90.9Very high28 Ų2845.8 Ų45.817%0.1725%0.248CC..EExtended strand (participates in β ladder)trans-112.1134.5-175-170.90000111.9P19 L25 P28 V29 R30 L75P19-V37 WeakPolarHBondContact CD-O 3.16Å; L25-V37 HydrophobicContact CD1-CG1 3.84Å; L25-V37 HydrophobicContact CD2-CG1 4.12Å; P28-V37 HydrophobicContact CB-CG1 3.65Å; V29-V37 VanDerWaalsContact O-CA 3.29Å; V29-V37 WeakPolarHBondContact O-CA 3.17Å; R30-V37 HydrophobicContact CB-CG2 4.3Å; R30-V37 HydrophobicContact CG-CG2 4.2Å; V37-L75 HydrophobicContact CB-CD2 4.41Å; V37-L75 HydrophobicContact CG1-CD2 3.67Å; V37-L75 HydrophobicContact CG2-CD2 4.39Å
38F94.1Very high90.6Very high0 Ų053.3 Ų53.30%027%0.27CS..EExtended strand (participates in β ladder)trans-139165.7-177.7-56.7-78.9000111.8V20 L25 P28 V29 T31 H36 F43 P55 L56V20-F38 HydrophobicContact CG2-CD1 3.63Å; V20-F38 HydrophobicContact CG2-CE1 3.8Å; L25-F38 VanDerWaalsContact CD2-C 3.47Å; P28-F38 CarbonylContact C-O 3.32Å; P28-F38 VanDerWaalsContact CA-O 3.24Å; P28-F38 WeakPolarHBondContact CA-O 3.47Å; V29-F38 HydrophobicContact CG2-CB 4.19Å; V29-F38 WeakPolarHBondContact CG2-O 3.44Å; V29-F38 PolarHBondContact N-O 3.24Å; V29-F38 PolarHBondContact O-N 2.98Å; T31-F38 HydrophobicContact CG2-CD2 4.46Å; T31-F38 HydrophobicContact CG2-CE2 4.13Å; H36-F38 HydrophobicContact CB-CE2 3.59Å; H36-F38 HydrophobicContact CB-CZ 3.83Å; F38-F43 HydrophobicContact CB-CB 4.08Å; F38-F43 HydrophobicContact CD2-CD2 4.04Å; F38-P55 HydrophobicContact CE1-CB 3.96Å; F38-P55 HydrophobicContact CE1-CG 4.22Å; F38-P55 HydrophobicContact CZ-CB 4.07Å; F38-P55 HydrophobicContact CZ-CG 4.11Å; F38-L56 HydrophobicContact CD1-CD1 4.38Å; F38-L56 HydrophobicContact CE1-CB 4.45Å; F38-L56 HydrophobicContact CE1-CD1 3.32Å; F38-L56 HydrophobicContact CE1-CG 3.49Å; F38-L56 VanDerWaalsContact CE1-CG 3.49Å; F38-L56 HydrophobicContact CE2-CD1 4.33Å; F38-L56 HydrophobicContact CZ-CB 4.01Å; F38-L56 HydrophobicContact CZ-CD1 3.28Å; F38-L56 HydrophobicContact CZ-CG 3.5Å; F38-L56 VanDerWaalsContact CZ-CG 3.5Å
39C93.8Very high90.2Very high4 Ų460.7 Ų60.73%0.02731%0.305CS..EExtended strand (participates in β ladder)trans-68139.8161.9-58.30000109.6C18 K26 K41 C42 F43 R99C18-C39 VanDerWaalsContact CB-SG 3.53Å; C18-C39 PolarHBondContact SG-N 2.92Å; C18-C39 VanDerWaalsContact SG-SG 3.69Å; K26-C39 PolarHBondContact N-SG 2.95Å; K26-C39 WeakPolarHBondContact O-CA 3.24Å; K26-C39 WeakPolarHBondContact O-CB 3.46Å; C39-K41 PolarHBondContact O-N 2.86Å; C39-K41 VanDerWaalsContact O-N 3.12Å; C39-C42 HydrophobicContact CB-CB 4.09Å; C39-C42 PolarHBondContact O-N 3.48Å; C39-F43 PolarHBondContact O-N 2.77Å; C39-R99 PolarHBondContact SG-NH2 3.4Å
40R92.8Very high89.2Confident109 Ų10964 Ų6441%0.41133%0.328SS..Hα-helixtrans-48.8-42.8175.2-174.3176.1-178.1-81.6-0.7113.2T27 V29 L44 P69T27-R40 WeakPolarHBondContact O-CB 3.36Å; T27-R40 PolarHBondContact O-N 3Å; V29-R40 HydrophobicContact CG1-CB 3.84Å; V29-R40 HydrophobicContact CG1-CG 4.1Å; R40-L44 HydrophobicContact CG-CD1 3.95Å; R40-L44 HydrophobicContact CG-CG 4.5Å; R40-L44 WeakPolarHBondContact O-CB 3.48Å; R40-L44 VanDerWaalsContact O-CG 3.25Å; R40-L44 WeakPolarHBondContact O-CG 3.45Å; R40-L44 PolarHBondContact O-N 3.41Å; R40-P69 HydrophobicContact CG-CG 4.28Å
41K92.6Very high88.5Confident151 Ų15161.9 Ų61.966%0.65733%0.328SS*.Hα-helixtrans-63.4-51.3177.4-70.2-169.1175.8-1660111.9C39 F43 L44 T45C39-K41 PolarHBondContact O-N 2.86Å; C39-K41 VanDerWaalsContact O-N 3.12Å; K41-F43 VanDerWaalsContact C-N 3.32Å; K41-F43 PolarHBondContact O-N 3.43Å; K41-L44 PolarHBondContact O-N 2.96Å; K41-T45 WeakPolarHBondContact O-CB 3.5Å; K41-T45 PolarHBondContact O-N 3.2Å; K41-T45 PolarHBondContact O-OG1 3.22Å; K41-T45 VanDerWaalsContact O-OG1 3.06Å
42C91.9Very high88.2Confident21 Ų2166 Ų6614%0.14235%0.349CS..Hα-helixtrans-59.1-43.3-179.9-63.80000112.1V20 C39 A46V20-C42 HydrophobicContact CB-CB 3.81Å; V20-C42 HydrophobicContact CG1-CB 3.78Å; V20-C42 HydrophobicContact CG2-CB 4.33Å; C39-C42 HydrophobicContact CB-CB 4.09Å; C39-C42 PolarHBondContact O-N 3.48Å; C42-A46 WeakPolarHBondContact O-CB 3.28Å; C42-A46 PolarHBondContact O-N 3.18Å
43F91.4Very high88.3Confident3 Ų366.9 Ų66.91%0.01334%0.341CS..Hα-helixtrans-61.9-50.9176179.3-98.7000111.7V29 T31 F38 C39 K41 T45 A46 M47 V61 E65 P69V29-F43 HydrophobicContact CG2-CB 3.64Å; V29-F43 HydrophobicContact CG2-CD1 4.3Å; V29-F43 HydrophobicContact CG2-CG 3.92Å; T31-F43 HydrophobicContact CG2-CD2 4.32Å; T31-F43 HydrophobicContact CG2-CE2 3.65Å; T31-F43 HydrophobicContact CG2-CZ 4.44Å; F38-F43 HydrophobicContact CB-CB 4.08Å; F38-F43 HydrophobicContact CD2-CD2 4.04Å; C39-F43 PolarHBondContact O-N 2.77Å; K41-F43 VanDerWaalsContact C-N 3.32Å; K41-F43 PolarHBondContact O-N 3.43Å; F43-T45 VanDerWaalsContact C-N 3.34Å; F43-T45 PolarHBondContact O-N 3Å; F43-A46 PolarHBondContact O-N 2.79Å; F43-M47 HydrophobicContact CD1-CG 4.06Å; F43-M47 HydrophobicContact CD2-CE 4.3Å; F43-M47 HydrophobicContact CD2-CG 4.5Å; F43-M47 HydrophobicContact CE1-CG 3.69Å; F43-M47 HydrophobicContact CE1-SD 4.39Å; F43-M47 HydrophobicContact CE2-CE 3.91Å; F43-M47 HydrophobicContact CE2-CG 4.16Å; F43-M47 HydrophobicContact CE2-SD 4.06Å; F43-M47 HydrophobicContact CG-CG 4.46Å; F43-M47 HydrophobicContact CZ-CE 4.33Å; F43-M47 HydrophobicContact CZ-CG 3.78Å; F43-M47 HydrophobicContact CZ-SD 3.87Å; F43-M47 VanDerWaalsContact O-CG 3.29Å; F43-M47 WeakPolarHBondContact O-CG 3.19Å; F43-M47 PolarHBondContact O-N 2.84Å; F43-V61 HydrophobicContact CE2-CG1 4.34Å; F43-V61 HydrophobicContact CE2-CG2 4.43Å; F43-V61 HydrophobicContact CZ-CG1 3.76Å; F43-E65 WeakPolarHBondContact CE1-O 3.36Å; F43-P69 HydrophobicContact CD1-CB 3.81Å; F43-P69 HydrophobicContact CD1-CG 4.08Å; F43-P69 HydrophobicContact CE1-CB 3.69Å; F43-P69 HydrophobicContact CE1-CG 4.26Å
44L90.3Very high88.3Confident46 Ų4663.6 Ų63.624%0.24131%0.314CS..Hα-helixtrans-65.1-35.8-178.8-71174.6000113.2R40 K41 R48 P69R40-L44 HydrophobicContact CG-CD1 3.95Å; R40-L44 HydrophobicContact CG-CG 4.5Å; R40-L44 WeakPolarHBondContact O-CB 3.48Å; R40-L44 VanDerWaalsContact O-CG 3.25Å; R40-L44 WeakPolarHBondContact O-CG 3.45Å; R40-L44 PolarHBondContact O-N 3.41Å; K41-L44 PolarHBondContact O-N 2.96Å; L44-R48 PolarHBondContact O-N 3.03Å; L44-P69 HydrophobicContact CD2-CG 4.17Å; L44-P69 HydrophobicContact CG-CG 4.45Å
45T90.6Very high88.3Confident68 Ų6864 Ų6442%0.41732%0.316SS..Hα-helixtrans-63.8-48.8173.3-61.70000110.3K41 F43 M47 R48 E49K41-T45 WeakPolarHBondContact O-CB 3.5Å; K41-T45 PolarHBondContact O-N 3.2Å; K41-T45 PolarHBondContact O-OG1 3.22Å; K41-T45 VanDerWaalsContact O-OG1 3.06Å; F43-T45 VanDerWaalsContact C-N 3.34Å; F43-T45 PolarHBondContact O-N 3Å; T45-M47 PolarHBondContact O-N 3.16Å; T45-R48 WeakPolarHBondContact O-CA 3.46Å; T45-R48 VanDerWaalsContact O-CB 3.32Å; T45-R48 WeakPolarHBondContact O-CB 3.46Å; T45-R48 PolarHBondContact O-N 3.03Å; T45-E49 WeakPolarHBondContact CG2-OE1 3.4Å; T45-E49 PolarHBondContact O-N 3.33Å
46A88.6Confident88.2Confident13 Ų1360.7 Ų60.711%0.10730%0.303CS..Hα-helixtrans-60.8-42.8177.400000112.1C42 F43 R48 E49 S50 P55C42-A46 WeakPolarHBondContact O-CB 3.28Å; C42-A46 PolarHBondContact O-N 3.18Å; F43-A46 PolarHBondContact O-N 2.79Å; A46-R48 PolarHBondContact O-N 3.47Å; A46-R48 VanDerWaalsContact O-N 3.12Å; A46-E49 PolarHBondContact O-N 3.2Å; A46-E49 VanDerWaalsContact O-N 3.16Å; A46-S50 PolarHBondContact O-N 3.02Å; A46-S50 PolarHBondContact O-OG 3.28Å; A46-P55 HydrophobicContact CB-CB 4.29Å; A46-P55 HydrophobicContact CB-CG 3.52Å
47M87.6Confident88Confident3 Ų360.7 Ų60.72%0.01531%0.309CS..Hα-helixtrans-63.8-18.2175.5-65.1-57.899.600114.4F43 T45 G51 H53 P55 V61 R66F43-M47 HydrophobicContact CD1-CG 4.06Å; F43-M47 HydrophobicContact CD2-CE 4.3Å; F43-M47 HydrophobicContact CD2-CG 4.5Å; F43-M47 HydrophobicContact CE1-CG 3.69Å; F43-M47 HydrophobicContact CE1-SD 4.39Å; F43-M47 HydrophobicContact CE2-CE 3.91Å; F43-M47 HydrophobicContact CE2-CG 4.16Å; F43-M47 HydrophobicContact CE2-SD 4.06Å; F43-M47 HydrophobicContact CG-CG 4.46Å; F43-M47 HydrophobicContact CZ-CE 4.33Å; F43-M47 HydrophobicContact CZ-CG 3.78Å; F43-M47 HydrophobicContact CZ-SD 3.87Å; F43-M47 VanDerWaalsContact O-CG 3.29Å; F43-M47 WeakPolarHBondContact O-CG 3.19Å; F43-M47 PolarHBondContact O-N 2.84Å; T45-M47 PolarHBondContact O-N 3.16Å; M47-G51 WeakPolarHBondContact CA-O 3.49Å; M47-G51 VanDerWaalsContact SD-O 3.41Å; M47-H53 WeakPolarHBondContact CE-O 3.08Å; M47-P55 HydrophobicContact CE-CG 4.32Å; M47-V61 HydrophobicContact CE-CG2 4.26Å; M47-V61 HydrophobicContact SD-CB 4.03Å; M47-V61 HydrophobicContact SD-CG1 3.8Å; M47-V61 HydrophobicContact SD-CG2 4.15Å; M47-R66 HydrophobicContact CB-CG 4.07Å; M47-R66 HydrophobicContact CG-CG 4.44Å; M47-R66 PolarHBondContact O-NE 3.26Å; M47-R66 PolarHBondContact O-NH2 3.31Å; M47-R66 VanDerWaalsContact O-NH2 3.09Å
48R86.8Confident87.8Confident212 Ų21269.2 Ų69.280%0.834%0.338SS*.Hα-helixtrans-85-40.2175.1-172.8-177.3-61.2-150.5-2.9111.1L44 T45 A46L44-R48 PolarHBondContact O-N 3.03Å; T45-R48 WeakPolarHBondContact O-CA 3.46Å; T45-R48 VanDerWaalsContact O-CB 3.32Å; T45-R48 WeakPolarHBondContact O-CB 3.46Å; T45-R48 PolarHBondContact O-N 3.03Å; A46-R48 PolarHBondContact O-N 3.47Å; A46-R48 VanDerWaalsContact O-N 3.12Å
49E83.7Confident87.2Confident158 Ų15870.5 Ų70.574%0.73835%0.351SS*.Hα-helixtrans-87.5-48.6-174.2-68.7170.5-176.600113T45 A46T45-E49 WeakPolarHBondContact CG2-OE1 3.4Å; T45-E49 PolarHBondContact O-N 3.33Å; A46-E49 PolarHBondContact O-N 3.2Å; A46-E49 VanDerWaalsContact O-N 3.16Å
50S74Confident86.8Confident71 Ų7174.2 Ų74.250%0.49738%0.377SS..THydrogen-bonded Turntrans-106.52.9-171.661.10000114.8A46A46-S50 PolarHBondContact O-N 3.02Å; A46-S50 PolarHBondContact O-OG 3.28Å
51G77.3Confident86.5Confident26 Ų2669.4 Ų69.427%0.26836%0.36SS..  trans86.6-144.217200000114.8M47 H53M47-G51 WeakPolarHBondContact CA-O 3.49Å; M47-G51 VanDerWaalsContact SD-O 3.41Å; G51-H53 VanDerWaalsContact C-N 3.26Å; G51-H53 PolarHBondContact O-N 3.05Å
52I82.8Confident86.1Confident88 Ų8865.8 Ų65.845%0.45135%0.35SS..SBendtrans-89.730.5-16957.2161.3000113.3V61I52-V61 PolarHBondContact O-N 3.1Å
53H88.3Confident85.6Confident89 Ų8975.4 Ų75.441%0.41238%0.384SS..BIsolated β-bridgetrans-119.8137.6-173.5-63.6-71.6000112M47 G51 R58 G59M47-H53 WeakPolarHBondContact CE-O 3.08Å; G51-H53 VanDerWaalsContact C-N 3.26Å; G51-H53 PolarHBondContact O-N 3.05Å; H53-R58 PolarHBondContact ND1-O 3.44Å; H53-G59 CarbonylContact C-O 3.48Å; H53-G59 WeakPolarHBondContact CA-O 3.31Å
54C87.1Confident85.2Confident2 Ų285.4 Ų85.41%0.01442%0.422CS..  trans-59.2131.2176.4178.10000110.7L56 R58 G59 V61C54-L56 PolarHBondContact O-N 2.96Å; C54-R58 WeakPolarHBondContact O-CA 3.38Å; C54-R58 PolarHBondContact O-N 3.49Å; C54-G59 PolarHBondContact N-O 3.2Å; C54-V61 HydrophobicContact CB-CG2 4.22Å
55P87Confident84.9Confident46 Ų4684.1 Ų84.130%0.29941%0.414SS..THydrogen-bonded Turntrans-62.7-16.8-178.3-24.734.6000115.3V20 F38 A46 M47V20-P55 HydrophobicContact CG2-CB 3.87Å; V20-P55 HydrophobicContact CG2-CG 4.44Å; F38-P55 HydrophobicContact CE1-CB 3.96Å; F38-P55 HydrophobicContact CE1-CG 4.22Å; F38-P55 HydrophobicContact CZ-CB 4.07Å; F38-P55 HydrophobicContact CZ-CG 4.11Å; A46-P55 HydrophobicContact CB-CB 4.29Å; A46-P55 HydrophobicContact CB-CG 3.52Å; M47-P55 HydrophobicContact CE-CG 4.32Å
56L87.4Confident84.3Confident75 Ų7586.3 Ų86.339%0.39342%0.415SS..THydrogen-bonded Turntrans-99.2-55.8-179.1-75.6164.7000112.9P19 H36 F38 C54P19-L56 HydrophobicContact CB-CD1 3.73Å; P19-L56 HydrophobicContact CB-CD2 3.27Å; P19-L56 HydrophobicContact CB-CG 3.93Å; P19-L56 HydrophobicContact CG-CD1 3.6Å; P19-L56 HydrophobicContact CG-CD2 4.05Å; P19-L56 HydrophobicContact CG-CG 4.36Å; H36-L56 HydrophobicContact CB-CD1 3.91Å; F38-L56 HydrophobicContact CD1-CD1 4.38Å; F38-L56 HydrophobicContact CE1-CB 4.45Å; F38-L56 HydrophobicContact CE1-CD1 3.32Å; F38-L56 HydrophobicContact CE1-CG 3.49Å; F38-L56 VanDerWaalsContact CE1-CG 3.49Å; F38-L56 HydrophobicContact CE2-CD1 4.33Å; F38-L56 HydrophobicContact CZ-CB 4.01Å; F38-L56 HydrophobicContact CZ-CD1 3.28Å; F38-L56 HydrophobicContact CZ-CG 3.5Å; F38-L56 VanDerWaalsContact CZ-CG 3.5Å; C54-L56 PolarHBondContact O-N 2.96Å
57C88.1Confident83.9Confident61 Ų6189.6 Ų89.641%0.41244%0.442SS..THydrogen-bonded Turntrans-104.7-0.8-172.965.10000113.9C34 H36 G59C34-C57 PolarHBondContact SG-SG 3.32Å; H36-C57 VanDerWaalsContact CE1-SG 3.53Å; H36-C57 PolarHBondContact ND1-SG 2.98Å; H36-C57 VanDerWaalsContact ND1-SG 3.45Å; C57-G59 PolarHBondContact O-N 3.06Å; C57-G59 PolarHBondContact SG-N 3.36Å
58R86.8Confident83.6Confident208 Ų20894 Ų9479%0.78547%0.472SS*.  trans598.1-173.1-54.5179.5177.2-178.6-2.1115.1H53 C54H53-R58 PolarHBondContact ND1-O 3.44Å; C54-R58 WeakPolarHBondContact O-CA 3.38Å; C54-R58 PolarHBondContact O-N 3.49Å
59G83.5Confident83.5Confident27 Ų2784.4 Ų84.428%0.27844%0.437SS..  trans-60.2154.6175.400000112.4H53 C54 C57 V61H53-G59 CarbonylContact C-O 3.48Å; H53-G59 WeakPolarHBondContact CA-O 3.31Å; C54-G59 PolarHBondContact N-O 3.2Å; C57-G59 PolarHBondContact O-N 3.06Å; C57-G59 PolarHBondContact SG-N 3.36Å; G59-V61 PolarHBondContact O-N 3.29Å
60S84.3Confident83.7Confident82 Ų8283.7 Ų83.757%0.57343%0.434SS*.BIsolated β-bridgetrans-63.5133.9-177.656.20000112.2
61V86.1Confident84.6Confident7 Ų785.9 Ų85.94%0.04243%0.431CS..  trans-109.9133.4171.9176.60000108.4T31 F43 M47 I52 C54 G59 E65T31-V61 HydrophobicContact CG2-CG2 4.5Å; F43-V61 HydrophobicContact CE2-CG1 4.34Å; F43-V61 HydrophobicContact CE2-CG2 4.43Å; F43-V61 HydrophobicContact CZ-CG1 3.76Å; M47-V61 HydrophobicContact CE-CG2 4.26Å; M47-V61 HydrophobicContact SD-CB 4.03Å; M47-V61 HydrophobicContact SD-CG1 3.8Å; M47-V61 HydrophobicContact SD-CG2 4.15Å; I52-V61 PolarHBondContact O-N 3.1Å; C54-V61 HydrophobicContact CB-CG2 4.22Å; G59-V61 PolarHBondContact O-N 3.29Å; V61-E65 HydrophobicContact CG1-CB 3.76Å
62T84.1Confident85.3Confident75 Ų7584.8 Ų84.846%0.4642%0.419SS..  trans-71.5153.5-178.467.20000111.7R64 E65 R66T62-R64 PolarHBondContact O-N 3.35Å; T62-R64 VanDerWaalsContact O-N 3.14Å; T62-E65 WeakPolarHBondContact CB-OE2 3.39Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.37Å; T62-E65 PolarHBondContact N-OE2 3.43Å; T62-E65 PolarHBondContact O-N 2.91Å; T62-E65 VanDerWaalsContact OG1-CG 3.3Å; T62-E65 WeakPolarHBondContact OG1-CG 3.43Å; T62-E65 PolarHBondContact OG1-N 3.25Å; T62-E65 PolarHBondContact OG1-OE2 2.85Å; T62-R66 PolarHBondContact O-N 3.3Å; T62-R66 VanDerWaalsContact O-N 3.14Å
63R82.3Confident85.6Confident223 Ų22385.2 Ų85.284%0.84242%0.422SS*.Hα-helixtrans-56.3-31.4175-174.9-173.6-92.5-120.24.3112.2A67R63-A67 PolarHBondContact O-N 2.85Å
64R83.2Confident85.7Confident214 Ų21484.1 Ų84.181%0.80842%0.419SS*.Hα-helixtrans-67.8-48.1178.3-174.2-178.4-71.1-169.7-0.9111.4T62 R66 A67 C68T62-R64 PolarHBondContact O-N 3.35Å; T62-R64 VanDerWaalsContact O-N 3.14Å; R64-R66 VanDerWaalsContact C-N 3.26Å; R64-R66 PolarHBondContact O-N 3.25Å; R64-A67 PolarHBondContact O-N 3.05Å; R64-A67 VanDerWaalsContact O-N 3.14Å; R64-C68 PolarHBondContact O-N 3.09Å
65E82.9Confident85.9Confident18 Ų1884.2 Ų84.28%0.08442%0.42CS..Hα-helixtrans-62.6-35.1178-70167.199.900112.1A32 F43 V61 T62 A67 C68 P69A32-E65 WeakPolarHBondContact CB-OE1 3.38Å; A32-E65 PolarHBondContact N-OE1 3.26Å; F43-E65 WeakPolarHBondContact CE1-O 3.36Å; V61-E65 HydrophobicContact CG1-CB 3.76Å; T62-E65 WeakPolarHBondContact CB-OE2 3.39Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.37Å; T62-E65 PolarHBondContact N-OE2 3.43Å; T62-E65 PolarHBondContact O-N 2.91Å; T62-E65 VanDerWaalsContact OG1-CG 3.3Å; T62-E65 WeakPolarHBondContact OG1-CG 3.43Å; T62-E65 PolarHBondContact OG1-N 3.25Å; T62-E65 PolarHBondContact OG1-OE2 2.85Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 2.91Å; E65-C68 CarbonylContact O-C 3.45Å; E65-P69 WeakPolarHBondContact O-CA 3.26Å; E65-P69 WeakPolarHBondContact O-CB 3.06Å; E65-P69 WeakPolarHBondContact O-CD 3.02Å; E65-P69 VanDerWaalsContact O-N 3.12Å
66R79Confident86Confident114 Ų11484 Ų8443%0.4342%0.415SS..Hα-helixtrans-59.6-41.2174.1179.4174-166.9-150.44.5112.6M47 T62 R64M47-R66 HydrophobicContact CB-CG 4.07Å; M47-R66 HydrophobicContact CG-CG 4.44Å; M47-R66 PolarHBondContact O-NE 3.26Å; M47-R66 PolarHBondContact O-NH2 3.31Å; M47-R66 VanDerWaalsContact O-NH2 3.09Å; T62-R66 PolarHBondContact O-N 3.3Å; T62-R66 VanDerWaalsContact O-N 3.14Å; R64-R66 VanDerWaalsContact C-N 3.26Å; R64-R66 PolarHBondContact O-N 3.25Å
67A80Confident86.1Confident82 Ų8284.3 Ų84.368%0.67842%0.417SS*.Hα-helixtrans-79.9-45.5-178.700000112R63 R64 E65R63-A67 PolarHBondContact O-N 2.85Å; R64-A67 PolarHBondContact O-N 3.05Å; R64-A67 VanDerWaalsContact O-N 3.14Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 2.91Å
68C80.8Confident86.2Confident96 Ų9682.7 Ų82.765%0.64940%0.404SS*.SBendtrans-138.591-179-166.20000109.6R64 E65R64-C68 PolarHBondContact O-N 3.09Å; E65-C68 CarbonylContact O-C 3.45Å
69P84.7Confident86.4Confident10 Ų1073.1 Ų73.17%0.06537%0.368CS..PPolyproline II helixtrans-71.4137.5179.327.1-33.6000110.8V29 R40 F43 L44 E65V29-P69 HydrophobicContact CB-CB 4.02Å; V29-P69 HydrophobicContact CG1-CB 3.88Å; V29-P69 HydrophobicContact CG1-CG 4.01Å; V29-P69 HydrophobicContact CG2-CB 4.42Å; R40-P69 HydrophobicContact CG-CG 4.28Å; F43-P69 HydrophobicContact CD1-CB 3.81Å; F43-P69 HydrophobicContact CD1-CG 4.08Å; F43-P69 HydrophobicContact CE1-CB 3.69Å; F43-P69 HydrophobicContact CE1-CG 4.26Å; L44-P69 HydrophobicContact CD2-CG 4.17Å; L44-P69 HydrophobicContact CG-CG 4.45Å; E65-P69 WeakPolarHBondContact O-CA 3.26Å; E65-P69 WeakPolarHBondContact O-CB 3.06Å; E65-P69 WeakPolarHBondContact O-CD 3.02Å; E65-P69 VanDerWaalsContact O-N 3.12Å
70E87.9Confident86.7Confident143 Ų14378.5 Ų78.567%0.66838%0.38SS*.PPolyproline II helixtrans-72134.7179-170.4167.4-167.500111.1V29 R30V29-E70 VanDerWaalsContact CA-O 3.25Å; V29-E70 WeakPolarHBondContact CA-O 3.39Å; V29-E70 WeakPolarHBondContact CB-O 3.21Å; R30-E70 PolarHBondContact N-O 3.5Å
71R92.4Very high86.9Confident118 Ų11882.6 Ų82.645%0.44539%0.387SS..BIsolated β-bridgetrans-82.6133.1179.8-70.417967.1177.5-2.4110.2P28 L73 E76P28-R71 WeakPolarHBondContact O-CA 3.46Å; R71-L73 VanDerWaalsContact C-N 3.28Å; R71-L73 HydrophobicContact CB-CD2 4.17Å; R71-L73 HydrophobicContact CB-CG 4.37Å; R71-L73 PolarHBondContact O-N 3.32Å; R71-E76 IonicContact CZ-OE1 3.34Å; R71-E76 IonicContact CZ-OE2 3.84Å; R71-E76 IonicContact NE-OE1 3.08Å; R71-E76 PolarHBondContact NE-OE1 3.4Å; R71-E76 VanDerWaalsContact NE-OE1 3.08Å; R71-E76 IonicContact NH2-OE1 2.76Å; R71-E76 PolarHBondContact NH2-OE1 3.18Å; R71-E76 IonicContact NH2-OE2 2.8Å; R71-E76 PolarHBondContact NH2-OE2 3.36Å
72A91.8Very high87.1Confident2 Ų286.5 Ų86.52%0.01740%0.404CS..  trans-79.474.7172.600000110.4P28 R30 D74 L75 E76P28-A72 HydrophobicContact CB-CB 4.25Å; P28-A72 HydrophobicContact CG-CB 4.39Å; P28-A72 PolarHBondContact O-N 3.07Å; R30-A72 HydrophobicContact CB-CB 4.13Å; A72-D74 VanDerWaalsContact C-N 3.27Å; A72-D74 VanDerWaalsContact C-OD1 3.22Å; A72-D74 WeakPolarHBondContact CA-OD1 3.46Å; A72-D74 PolarHBondContact O-N 3.26Å; A72-L75 HydrophobicContact CB-CB 4Å; A72-L75 PolarHBondContact O-N 3.31Å; A72-L75 VanDerWaalsContact O-N 3.14Å; A72-E76 PolarHBondContact O-N 3.47Å
73L90.6Very high87.4Confident98 Ų9885.6 Ų85.651%0.51340%0.401SS..Hα-helixtrans-64.2-32.7-177.3-64.8178.6000112.8R71 L75 E76 N77R71-L73 VanDerWaalsContact C-N 3.28Å; R71-L73 HydrophobicContact CB-CD2 4.17Å; R71-L73 HydrophobicContact CB-CG 4.37Å; R71-L73 PolarHBondContact O-N 3.32Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L73-E76 PolarHBondContact O-N 2.96Å; L73-N77 WeakPolarHBondContact O-CB 3.33Å; L73-N77 VanDerWaalsContact O-CG 3.3Å; L73-N77 PolarHBondContact O-N 3.44Å; L73-N77 PolarHBondContact O-ND2 3.31Å
74D90.4Very high87.7Confident65 Ų6575 Ų7535%0.34836%0.361SS..Hα-helixtrans-54.1-50.3169.757.5-50.2000110.7R30 A72 N77 I78R30-D74 IonicContact CZ-OD1 3.58Å; R30-D74 IonicContact CZ-OD2 3.44Å; R30-D74 VanDerWaalsContact CZ-OD2 3.29Å; R30-D74 IonicContact NH1-OD1 3.11Å; R30-D74 PolarHBondContact NH1-OD1 2.88Å; R30-D74 IonicContact NH1-OD2 2.69Å; R30-D74 PolarHBondContact NH1-OD2 3.02Å; R30-D74 IonicContact NH2-OD1 3.29Å; R30-D74 IonicContact NH2-OD2 3.73Å; R30-D74 PolarHBondContact NH2-OD2 2.71Å; A72-D74 VanDerWaalsContact C-N 3.27Å; A72-D74 VanDerWaalsContact C-OD1 3.22Å; A72-D74 WeakPolarHBondContact CA-OD1 3.46Å; A72-D74 PolarHBondContact O-N 3.26Å; D74-N77 WeakPolarHBondContact O-CB 3.19Å; D74-N77 PolarHBondContact O-N 2.94Å; D74-I78 WeakPolarHBondContact O-CD1 3.47Å; D74-I78 VanDerWaalsContact O-CG1 3.27Å; D74-I78 WeakPolarHBondContact O-CG1 3.42Å; D74-I78 PolarHBondContact O-N 3.02Å
75L90.1Very high88Confident5 Ų567 Ų673%0.02634%0.338CS..Hα-helixtrans-68-38.7179.4-165.967.6000111.8Y11 F16 L25 P28 V37 A72 L73 N77 I78 M79Y11-L75 HydrophobicContact CD1-CD1 4.45Å; Y11-L75 HydrophobicContact CE1-CD1 4.2Å; F16-L75 HydrophobicContact CD1-CD1 4.15Å; F16-L75 HydrophobicContact CE1-CD1 3.84Å; L25-L75 HydrophobicContact CD1-CD2 3.53Å; P28-L75 HydrophobicContact CB-CD2 4.07Å; P28-L75 HydrophobicContact CG-CB 4.48Å; P28-L75 HydrophobicContact CG-CD2 4.43Å; V37-L75 HydrophobicContact CB-CD2 4.41Å; V37-L75 HydrophobicContact CG1-CD2 3.67Å; V37-L75 HydrophobicContact CG2-CD2 4.39Å; A72-L75 HydrophobicContact CB-CB 4Å; A72-L75 PolarHBondContact O-N 3.31Å; A72-L75 VanDerWaalsContact O-N 3.14Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L75-N77 VanDerWaalsContact C-N 3.27Å; L75-N77 PolarHBondContact O-N 3.49Å; L75-I78 PolarHBondContact O-N 2.97Å; L75-M79 WeakPolarHBondContact O-CB 3.38Å; L75-M79 VanDerWaalsContact O-CG 3.23Å; L75-M79 WeakPolarHBondContact O-CG 3.46Å; L75-M79 PolarHBondContact O-N 3.45Å
76E89.2Confident88.3Confident41 Ų4166.2 Ų66.219%0.19233%0.334CS..Hα-helixtrans-59.2-38.9173.6-69.2-171.2-165.600112.4P28 R71 A72 L73 M79 R80P28-E76 VanDerWaalsContact CD-CG 3.5Å; P28-E76 HydrophobicContact CG-CG 3.46Å; P28-E76 VanDerWaalsContact CG-CG 3.46Å; R71-E76 IonicContact CZ-OE1 3.34Å; R71-E76 IonicContact CZ-OE2 3.84Å; R71-E76 IonicContact NE-OE1 3.08Å; R71-E76 PolarHBondContact NE-OE1 3.4Å; R71-E76 VanDerWaalsContact NE-OE1 3.08Å; R71-E76 IonicContact NH2-OE1 2.76Å; R71-E76 PolarHBondContact NH2-OE1 3.18Å; R71-E76 IonicContact NH2-OE2 2.8Å; R71-E76 PolarHBondContact NH2-OE2 3.36Å; A72-E76 PolarHBondContact O-N 3.47Å; L73-E76 PolarHBondContact O-N 2.96Å; E76-M79 PolarHBondContact O-N 2.9Å; E76-R80 PolarHBondContact O-N 3.41Å
77N90.3Very high88.6Confident82 Ų8267.8 Ų67.844%0.43934%0.34SS..Hα-helixtrans-69.2-38.9176.8-74.2-32.9000111.8L73 D74 L75 R80L73-N77 WeakPolarHBondContact O-CB 3.33Å; L73-N77 VanDerWaalsContact O-CG 3.3Å; L73-N77 PolarHBondContact O-N 3.44Å; L73-N77 PolarHBondContact O-ND2 3.31Å; D74-N77 WeakPolarHBondContact O-CB 3.19Å; D74-N77 PolarHBondContact O-N 2.94Å; L75-N77 VanDerWaalsContact C-N 3.27Å; L75-N77 PolarHBondContact O-N 3.49Å; N77-R80 WeakPolarHBondContact O-CB 3.44Å; N77-R80 PolarHBondContact O-N 3.4Å
78I90Very high88.9Confident27 Ų2764.8 Ų64.814%0.13831%0.314CS..Hα-helixtrans-64.1-45.7174.4-65.2158.1000110.2Y11 F16 D74 L75 R80 K81 F82Y11-I78 HydrophobicContact CD2-CD1 4.16Å; Y11-I78 HydrophobicContact CD2-CG2 3.99Å; Y11-I78 HydrophobicContact CE1-CD1 4.01Å; Y11-I78 HydrophobicContact CE2-CD1 3.39Å; Y11-I78 HydrophobicContact CE2-CG1 4.23Å; Y11-I78 HydrophobicContact CE2-CG2 4.32Å; Y11-I78 HydrophobicContact CG-CG2 4.2Å; Y11-I78 WeakPolarHBondContact OH-CD1 3.48Å; F16-I78 HydrophobicContact CE1-CB 4.37Å; F16-I78 HydrophobicContact CE1-CG2 3.65Å; F16-I78 HydrophobicContact CZ-CG2 3.56Å; D74-I78 WeakPolarHBondContact O-CD1 3.47Å; D74-I78 VanDerWaalsContact O-CG1 3.27Å; D74-I78 WeakPolarHBondContact O-CG1 3.42Å; D74-I78 PolarHBondContact O-N 3.02Å; L75-I78 PolarHBondContact O-N 2.97Å; I78-R80 PolarHBondContact O-N 3.01Å; I78-K81 PolarHBondContact O-N 3.37Å; I78-F82 HydrophobicContact CG2-CD2 3.46Å; I78-F82 VanDerWaalsContact CG2-CD2 3.46Å; I78-F82 HydrophobicContact CG2-CE2 3.68Å; I78-F82 HydrophobicContact CG2-CG 4.35Å; I78-F82 WeakPolarHBondContact O-CD2 3.26Å; I78-F82 PolarHBondContact O-N 3.14Å
79M90.8Very high89.3Confident6 Ų661.5 Ų61.53%0.0329%0.292CS..Hα-helixtrans-58.8-20.7176.4-72.2178.581.500114.3F16 V24 L25 P28 L75 E76 F95 Y96F16-M79 HydrophobicContact CD1-CG 3.33Å; F16-M79 HydrophobicContact CD1-SD 4.35Å; F16-M79 HydrophobicContact CE1-CG 3.74Å; F16-M79 HydrophobicContact CG-CG 4.28Å; V24-M79 HydrophobicContact CG1-CE 3.52Å; L25-M79 HydrophobicContact CB-CE 4.08Å; L25-M79 HydrophobicContact CB-SD 4.17Å; L25-M79 WeakPolarHBondContact O-CE 3.15Å; P28-M79 HydrophobicContact CG-SD 4.48Å; L75-M79 WeakPolarHBondContact O-CB 3.38Å; L75-M79 VanDerWaalsContact O-CG 3.23Å; L75-M79 WeakPolarHBondContact O-CG 3.46Å; L75-M79 PolarHBondContact O-N 3.45Å; E76-M79 PolarHBondContact O-N 2.9Å; M79-F95 HydrophobicContact CB-CB 4.06Å; M79-F95 HydrophobicContact CE-CB 3.95Å; M79-F95 HydrophobicContact CG-CB 4.2Å; M79-F95 PolarHBondContact O-N 3.1Å; M79-Y96 PolarHBondContact O-N 2.79Å
80R90Very high89.4Confident140 Ų14065.5 Ų65.553%0.52832%0.32SS..Hα-helixtrans-79.5-28.6174.7-166.1-176.1-59.6178.64.5112.5E76 N77 I78 Y96E76-R80 PolarHBondContact O-N 3.41Å; N77-R80 WeakPolarHBondContact O-CB 3.44Å; N77-R80 PolarHBondContact O-N 3.4Å; I78-R80 PolarHBondContact O-N 3.01Å; R80-Y96 HydrophobicContact CG-CD1 4.33Å; R80-Y96 HydrophobicContact CG-CE1 4.3Å
81K88.8Confident89.4Confident169 Ų16965.1 Ų65.174%0.73532%0.316SS*.Hα-helixtrans-88.7-41.7-178.9-63.7178.8-177.9-1790111.3I78I78-K81 PolarHBondContact O-N 3.37Å
82F89.4Confident89.4Confident89 Ų8967.4 Ų67.439%0.3933%0.329SS..  trans-80.3144.7-177.8-78-102.2000112.5F16 I78 K94 F95F16-F82 HydrophobicContact CE2-CB 4.13Å; F16-F82 HydrophobicContact CE2-CD1 4.44Å; F16-F82 HydrophobicContact CE2-CG 4.3Å; F16-F82 HydrophobicContact CZ-CB 4.1Å; F16-F82 HydrophobicContact CZ-CD2 4.4Å; F16-F82 HydrophobicContact CZ-CG 4.11Å; I78-F82 HydrophobicContact CG2-CD2 3.46Å; I78-F82 VanDerWaalsContact CG2-CD2 3.46Å; I78-F82 HydrophobicContact CG2-CE2 3.68Å; I78-F82 HydrophobicContact CG2-CG 4.35Å; I78-F82 WeakPolarHBondContact O-CD2 3.26Å; I78-F82 PolarHBondContact O-N 3.14Å; F82-K94 WeakPolarHBondContact O-CA 3.49Å; F82-F95 HydrophobicContact CB-CD2 3.91Å; F82-F95 HydrophobicContact CB-CE2 4.22Å; F82-F95 PolarHBondContact O-N 3.07Å
83S91.2Very high89.4Confident56 Ų5669.2 Ų69.239%0.39234%0.338SS..EExtended strand (participates in β ladder)trans-123.4133.5175.4-55.70000109.2I93 K94S83-I93 WeakPolarHBondContact CA-O 3.49Å; S83-K94 WeakPolarHBondContact OG-CG 3.18Å
84G88.4Confident89.4Confident1 Ų169 Ų691%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-113.7163.4174.300000110.7K92 I93 M98G84-K92 WeakPolarHBondContact O-CA 3.43Å; G84-I93 PolarHBondContact N-O 2.88Å; G84-I93 PolarHBondContact O-N 3.26Å; G84-I93 VanDerWaalsContact O-O 3.13Å; G84-M98 VanDerWaalsContact O-CE 3.26Å; G84-M98 WeakPolarHBondContact O-CE 3.2Å
85S90.2Very high89.4Confident45 Ų4566.1 Ų66.132%0.31532%0.317SS..EExtended strand (participates in β ladder)trans-88.3133.2176-55.50000110.4R87S85-R87 PolarHBondContact O-N 3.33Å
86C87.9Confident89.3Confident2 Ų270.7 Ų70.71%0.01434%0.335CS..  trans-65.4129.3173.31760000110.3C88 C89 S90 K91 M98 H101C86-C88 VanDerWaalsContact C-N 3.26Å; C86-C88 PolarHBondContact O-N 3.41Å; C86-C89 VanDerWaalsContact SG-SG 3.62Å; C86-S90 WeakPolarHBondContact O-CA 3.35Å; C86-S90 PolarHBondContact O-N 3.25Å; C86-K91 PolarHBondContact N-O 3.34Å; C86-M98 HydrophobicContact CB-SD 4.12Å; C86-H101 WeakPolarHBondContact CB-NE2 3.01Å; C86-H101 PolarHBondContact SG-NE2 3.2Å
87R85.3Confident89.4Confident147 Ų14775.8 Ų75.856%0.55535%0.352SS*.THydrogen-bonded Turntrans-59-32.2-177.2-63.3177.6-179.7168.5-3113.8S85S85-R87 PolarHBondContact O-N 3.33Å
88C86.8Confident89.4Confident18 Ų1871.9 Ų71.912%0.12233%0.332CS..THydrogen-bonded Turntrans-97-32.8-175.1-52.80000113.7C86 K107 E111C86-C88 VanDerWaalsContact C-N 3.26Å; C86-C88 PolarHBondContact O-N 3.41Å; C88-K107 HydrophobicContact CB-CB 3.81Å; C88-K107 WeakPolarHBondContact O-CD 3.26Å; C88-E111 PolarHBondContact SG-OE2 2.9Å; C88-E111 VanDerWaalsContact SG-OE2 3.42Å
89C88.8Confident89.3Confident27 Ų2773.4 Ų73.418%0.18234%0.336CS..THydrogen-bonded Turntrans-118.60.4-175.2770000114.9C86 K91 H101 C105 K107C86-C89 VanDerWaalsContact SG-SG 3.62Å; C89-K91 PolarHBondContact O-N 3.39Å; C89-H101 PolarHBondContact SG-CE1 3.12Å; C89-H101 PolarHBondContact SG-NE2 3.46Å; C89-C105 VanDerWaalsContact SG-SG 3.6Å; C89-K107 HydrophobicContact CB-CD 4.22Å
90S86.8Confident89.3Confident94 Ų9479.5 Ų79.566%0.65736%0.364SS*.  trans57.39.4178.5-48.10000115.3C86 K92C86-S90 WeakPolarHBondContact O-CA 3.35Å; C86-S90 PolarHBondContact O-N 3.25Å; S90-K92 PolarHBondContact O-N 3.33Å
91K88.8Confident89.3Confident135 Ų13573.6 Ų73.659%0.58734%0.342SS*.  trans-69.5132.1174.7-68-177.1-177.5-178.10109.5C86 C89 I93C86-K91 PolarHBondContact N-O 3.34Å; C89-K91 PolarHBondContact O-N 3.39Å; K91-I93 HydrophobicContact CB-CD1 4.26Å; K91-I93 HydrophobicContact CB-CG1 4.33Å; K91-I93 PolarHBondContact O-N 2.87Å
92K91.9Very high89.2Confident167 Ų16766.2 Ų66.273%0.72631%0.31SS*.EExtended strand (participates in β ladder)trans-74.6118.8171.3-72.2-170.5175.9-174.80109.9G84 S90G84-K92 WeakPolarHBondContact O-CA 3.43Å; S90-K92 PolarHBondContact O-N 3.33Å
93I91.2Very high89.1Confident39 Ų3969.5 Ų69.520%0.232%0.324CS..EExtended strand (participates in β ladder)trans-131.2138.1-179-52.6-68.1000108.3S83 G84 K91 F95 R97 M98 H101S83-I93 WeakPolarHBondContact CA-O 3.49Å; G84-I93 PolarHBondContact N-O 2.88Å; G84-I93 PolarHBondContact O-N 3.26Å; G84-I93 VanDerWaalsContact O-O 3.13Å; K91-I93 HydrophobicContact CB-CD1 4.26Å; K91-I93 HydrophobicContact CB-CG1 4.33Å; K91-I93 PolarHBondContact O-N 2.87Å; I93-F95 PolarHBondContact O-N 3.21Å; I93-R97 HydrophobicContact CG2-CB 3.94Å; I93-M98 HydrophobicContact CB-CE 3.72Å; I93-M98 HydrophobicContact CB-SD 3.89Å; I93-M98 HydrophobicContact CG1-CE 4.42Å; I93-M98 HydrophobicContact CG1-SD 4.26Å; I93-M98 HydrophobicContact CG2-SD 4.36Å; I93-H101 HydrophobicContact CG1-CB 4.23Å; I93-H101 HydrophobicContact CG2-CB 4.13Å
94K91.2Very high89Confident95 Ų9570.9 Ų70.941%0.41333%0.333SS..EExtended strand (participates in β ladder)trans-58.7135.1172.4-66.6-178173.1-170.40110.2F82 S83 Y96 R97 M98F82-K94 WeakPolarHBondContact O-CA 3.49Å; S83-K94 WeakPolarHBondContact OG-CG 3.18Å; K94-Y96 VanDerWaalsContact C-N 3.28Å; K94-Y96 HydrophobicContact CB-CD1 3.58Å; K94-Y96 HydrophobicContact CB-CE1 3.51Å; K94-Y96 HydrophobicContact CD-CD1 4.41Å; K94-Y96 HydrophobicContact CD-CE1 3.65Å; K94-Y96 HydrophobicContact CG-CE1 4.21Å; K94-Y96 PolarHBondContact O-N 3.17Å; K94-Y96 VanDerWaalsContact O-N 3.16Å; K94-R97 WeakPolarHBondContact O-CA 3.35Å; K94-R97 PolarHBondContact O-N 2.91Å; K94-M98 PolarHBondContact O-N 3.42Å; K94-M98 VanDerWaalsContact O-N 3.16Å
95F90.3Very high89Confident3 Ų371.1 Ų71.11%0.01334%0.335CS..Hα-helixtrans-55.8-40.3-172-81.4-75.9000113.2E13 F16 Y17 V24 M79 F82 I93 R97 M98E13-F95 HydrophobicContact CB-CZ 4.08Å; E13-F95 HydrophobicContact CG-CZ 4.2Å; F16-F95 HydrophobicContact CB-CD1 3.63Å; F16-F95 HydrophobicContact CB-CD2 4.41Å; F16-F95 HydrophobicContact CB-CE1 3.79Å; F16-F95 HydrophobicContact CB-CG 3.96Å; F16-F95 HydrophobicContact CB-CZ 4.25Å; F16-F95 HydrophobicContact CD2-CD1 4.23Å; F16-F95 AromaticContact CD2-CD2 3.61Å; F16-F95 HydrophobicContact CD2-CD2 3.61Å; F16-F95 HydrophobicContact CD2-CE1 4.03Å; F16-F95 AromaticContact CD2-CE2 3.37Å; F16-F95 HydrophobicContact CD2-CE2 3.37Å; F16-F95 HydrophobicContact CD2-CG 4.04Å; F16-F95 AromaticContact CD2-CZ 3.6Å; F16-F95 HydrophobicContact CD2-CZ 3.6Å; F16-F95 HydrophobicContact CE2-CD2 4.01Å; F16-F95 AromaticContact CE2-CE2 3.79Å; F16-F95 HydrophobicContact CE2-CE2 3.79Å; F16-F95 HydrophobicContact CE2-CZ 4.4Å; F16-F95 HydrophobicContact CG-CD1 4.09Å; F16-F95 AromaticContact CG-CD2 3.96Å; F16-F95 HydrophobicContact CG-CD2 3.96Å; F16-F95 HydrophobicContact CG-CE1 4.25Å; F16-F95 HydrophobicContact CG-CE2 4.13Å; F16-F95 AromaticContact CG-CG 3.95Å; F16-F95 HydrophobicContact CG-CG 3.95Å; F16-F95 HydrophobicContact CG-CZ 4.26Å; Y17-F95 HydrophobicContact CE2-CE1 4.02Å; V24-F95 HydrophobicContact CG1-CB 4.28Å; V24-F95 HydrophobicContact CG1-CD1 3.91Å; V24-F95 HydrophobicContact CG2-CD1 4.05Å; V24-F95 HydrophobicContact CG2-CE1 4.41Å; M79-F95 HydrophobicContact CB-CB 4.06Å; M79-F95 HydrophobicContact CE-CB 3.95Å; M79-F95 HydrophobicContact CG-CB 4.2Å; M79-F95 PolarHBondContact O-N 3.1Å; F82-F95 HydrophobicContact CB-CD2 3.91Å; F82-F95 HydrophobicContact CB-CE2 4.22Å; F82-F95 PolarHBondContact O-N 3.07Å; I93-F95 PolarHBondContact O-N 3.21Å; F95-R97 PolarHBondContact O-N 3.48Å; F95-R97 VanDerWaalsContact O-N 3.08Å; F95-M98 WeakPolarHBondContact O-CB 3.24Å; F95-M98 PolarHBondContact O-N 3.32Å
96Y88.9Confident88.9Confident101 Ų10176.1 Ų76.140%0.39635%0.351SS..Hα-helixtrans-59.4-23.7176.986.1-77.4000114.4M79 R80 K94M79-Y96 PolarHBondContact O-N 2.79Å; R80-Y96 HydrophobicContact CG-CD1 4.33Å; R80-Y96 HydrophobicContact CG-CE1 4.3Å; K94-Y96 VanDerWaalsContact C-N 3.28Å; K94-Y96 HydrophobicContact CB-CD1 3.58Å; K94-Y96 HydrophobicContact CB-CE1 3.51Å; K94-Y96 HydrophobicContact CD-CD1 4.41Å; K94-Y96 HydrophobicContact CD-CE1 3.65Å; K94-Y96 HydrophobicContact CG-CE1 4.21Å; K94-Y96 PolarHBondContact O-N 3.17Å; K94-Y96 VanDerWaalsContact O-N 3.16Å
97R90.3Very high88.8Confident148 Ų14882.2 Ų82.256%0.55838%0.377SS*.Hα-helixtrans-99.7-9.2176.4-76-177.1174.9172.75.2113.6I93 K94 F95 R99 H100 H101I93-R97 HydrophobicContact CG2-CB 3.94Å; K94-R97 WeakPolarHBondContact O-CA 3.35Å; K94-R97 PolarHBondContact O-N 2.91Å; F95-R97 PolarHBondContact O-N 3.48Å; F95-R97 VanDerWaalsContact O-N 3.08Å; R97-R99 VanDerWaalsContact C-N 3.31Å; R97-R99 PolarHBondContact O-N 3.2Å; R97-H100 WeakPolarHBondContact O-CA 3.48Å; R97-H100 WeakPolarHBondContact O-CB 3.43Å; R97-H100 PolarHBondContact O-N 3.37Å; R97-H101 PolarHBondContact O-N 3.07Å
98M90.1Very high88.7Confident0 Ų076.9 Ų76.90%036%0.357CS..Hα-helixtrans-58.9-41.1-173.3-170.364.380.200112.3V24 G84 C86 I93 K94 F95 H100 H101 Y102V24-M98 HydrophobicContact CB-CB 4.39Å; V24-M98 HydrophobicContact CG1-CB 4.34Å; V24-M98 HydrophobicContact CG2-CB 3.97Å; V24-M98 HydrophobicContact CG2-CG 3.76Å; G84-M98 VanDerWaalsContact O-CE 3.26Å; G84-M98 WeakPolarHBondContact O-CE 3.2Å; C86-M98 HydrophobicContact CB-SD 4.12Å; I93-M98 HydrophobicContact CB-CE 3.72Å; I93-M98 HydrophobicContact CB-SD 3.89Å; I93-M98 HydrophobicContact CG1-CE 4.42Å; I93-M98 HydrophobicContact CG1-SD 4.26Å; I93-M98 HydrophobicContact CG2-SD 4.36Å; K94-M98 PolarHBondContact O-N 3.42Å; K94-M98 VanDerWaalsContact O-N 3.16Å; F95-M98 WeakPolarHBondContact O-CB 3.24Å; F95-M98 PolarHBondContact O-N 3.32Å; M98-H100 VanDerWaalsContact C-N 3.29Å; M98-H100 PolarHBondContact O-N 2.92Å; M98-H101 WeakPolarHBondContact O-CA 3.46Å; M98-H101 WeakPolarHBondContact O-CB 3.35Å; M98-H101 PolarHBondContact O-N 3.24Å; M98-H101 VanDerWaalsContact O-N 3.1Å; M98-Y102 HydrophobicContact CG-CE1 3.87Å; M98-Y102 HydrophobicContact CG-CE2 4.09Å; M98-Y102 WeakPolarHBondContact CG-OH 3.43Å; M98-Y102 PolarHBondContact O-N 3.31Å; M98-Y102 HydrophobicContact SD-CE1 3.95Å
99R88.8Confident88.6Confident60 Ų6080.1 Ų80.123%0.22637%0.371CS..Hα-helixtrans-63.9-31.2174.3-74.7-152.7-173.9-144.61.9114.3C21 E23 V24 C39 R97C21-R99 PolarHBondContact SG-NH2 2.99Å; C21-R99 VanDerWaalsContact SG-NH2 3.44Å; E23-R99 IonicContact OE2-CZ 2.76Å; E23-R99 IonicContact OE2-NE 3.79Å; E23-R99 IonicContact OE2-NH1 3.18Å; E23-R99 PolarHBondContact OE2-NH1 3.38Å; E23-R99 IonicContact OE2-NH2 3.06Å; V24-R99 HydrophobicContact CB-CG 4.49Å; V24-R99 PolarHBondContact O-NE 2.96Å; V24-R99 PolarHBondContact O-NH2 3.3Å; C39-R99 PolarHBondContact SG-NH2 3.4Å; R97-R99 VanDerWaalsContact C-N 3.31Å; R97-R99 PolarHBondContact O-N 3.2Å
100H89.6Confident88.4Confident134 Ų13484.6 Ų84.662%0.6239%0.393SS*.Hα-helixtrans-72.9-38.6173.8-176.681.3000110.3R97 M98 Y102 K103R97-H100 WeakPolarHBondContact O-CA 3.48Å; R97-H100 WeakPolarHBondContact O-CB 3.43Å; R97-H100 PolarHBondContact O-N 3.37Å; M98-H100 VanDerWaalsContact C-N 3.29Å; M98-H100 PolarHBondContact O-N 2.92Å; H100-Y102 VanDerWaalsContact C-N 3.33Å; H100-Y102 PolarHBondContact O-N 3.12Å; H100-K103 WeakPolarHBondContact O-CB 3.32Å; H100-K103 PolarHBondContact O-N 3.16Å; H100-K103 VanDerWaalsContact O-N 3.09Å
101H90.3Very high88.2Confident16 Ų1685.2 Ų85.27%0.07439%0.385CS..Hα-helixtrans-59.6-39.6174.3169.569.2000112.8C86 C89 I93 R97 M98 K103 S104 C105C86-H101 WeakPolarHBondContact CB-NE2 3.01Å; C86-H101 PolarHBondContact SG-NE2 3.2Å; C89-H101 PolarHBondContact SG-CE1 3.12Å; C89-H101 PolarHBondContact SG-NE2 3.46Å; I93-H101 HydrophobicContact CG1-CB 4.23Å; I93-H101 HydrophobicContact CG2-CB 4.13Å; R97-H101 PolarHBondContact O-N 3.07Å; M98-H101 WeakPolarHBondContact O-CA 3.46Å; M98-H101 WeakPolarHBondContact O-CB 3.35Å; M98-H101 PolarHBondContact O-N 3.24Å; M98-H101 VanDerWaalsContact O-N 3.1Å; H101-K103 PolarHBondContact O-N 2.99Å; H101-K103 VanDerWaalsContact O-N 3.13Å; H101-S104 CarbonylContact O-C 3.57Å; H101-S104 PolarHBondContact O-N 2.85Å; H101-S104 PolarHBondContact O-OG 2.99Å; H101-C105 VanDerWaalsContact O-CB 3.25Å; H101-C105 WeakPolarHBondContact O-CB 3.4Å; H101-C105 PolarHBondContact O-N 3.21Å
102Y87.9Confident87.7Confident13 Ų1383.9 Ų83.95%0.05138%0.377CS..Hα-helixtrans-56.8-28.9174.9-65.5-25.3000113.6M98 H100 S104 Y108M98-Y102 HydrophobicContact CG-CE1 3.87Å; M98-Y102 HydrophobicContact CG-CE2 4.09Å; M98-Y102 WeakPolarHBondContact CG-OH 3.43Å; M98-Y102 PolarHBondContact O-N 3.31Å; M98-Y102 HydrophobicContact SD-CE1 3.95Å; H100-Y102 VanDerWaalsContact C-N 3.33Å; H100-Y102 PolarHBondContact O-N 3.12Å; Y102-S104 VanDerWaalsContact C-N 3.33Å; Y102-S104 PolarHBondContact O-N 3.13Å; Y102-Y108 HydrophobicContact CD1-CD1 4.1Å; Y102-Y108 AromaticContact CD1-CD2 3.46Å; Y102-Y108 HydrophobicContact CD1-CD2 3.46Å; Y102-Y108 VanDerWaalsContact CD1-CD2 3.46Å; Y102-Y108 HydrophobicContact CD1-CE1 4.23Å; Y102-Y108 AromaticContact CD1-CE2 3.59Å; Y102-Y108 HydrophobicContact CD1-CE2 3.59Å; Y102-Y108 AromaticContact CD1-CG 3.72Å; Y102-Y108 HydrophobicContact CD1-CG 3.72Å; Y102-Y108 AromaticContact CD1-CZ 3.98Å; Y102-Y108 HydrophobicContact CD2-CE1 4.12Å; Y102-Y108 HydrophobicContact CD2-CE2 4.01Å; Y102-Y108 AromaticContact CD2-CZ 3.7Å; Y102-Y108 AromaticContact CE1-CD2 3.74Å; Y102-Y108 HydrophobicContact CE1-CD2 3.74Å; Y102-Y108 AromaticContact CE1-CE2 3.69Å; Y102-Y108 HydrophobicContact CE1-CE2 3.69Å; Y102-Y108 HydrophobicContact CE1-CG 4.45Å; Y102-Y108 HydrophobicContact CE2-CE2 4.09Å; Y102-Y108 AromaticContact CG-CD1 3.93Å; Y102-Y108 HydrophobicContact CG-CD1 3.93Å; Y102-Y108 AromaticContact CG-CD2 3.99Å; Y102-Y108 HydrophobicContact CG-CD2 3.99Å; Y102-Y108 AromaticContact CG-CE1 3.74Å; Y102-Y108 HydrophobicContact CG-CE1 3.74Å; Y102-Y108 AromaticContact CG-CE2 3.78Å; Y102-Y108 HydrophobicContact CG-CE2 3.78Å; Y102-Y108 HydrophobicContact CG-CG 4.05Å; Y102-Y108 AromaticContact CG-CZ 3.65Å; Y102-Y108 AromaticContact CZ-CE2 3.94Å
103K87.1Confident86.8Confident159 Ų15978.1 Ų78.169%0.69137%0.365SS*.THydrogen-bonded Turntrans-77.1-13.6174.7-59.3-174.5174.6-1650114.6H100 H101 Q109H100-K103 WeakPolarHBondContact O-CB 3.32Å; H100-K103 PolarHBondContact O-N 3.16Å; H100-K103 VanDerWaalsContact O-N 3.09Å; H101-K103 PolarHBondContact O-N 2.99Å; H101-K103 VanDerWaalsContact O-N 3.13Å; K103-Q109 VanDerWaalsContact C-NE2 3.29Å; K103-Q109 PolarHBondContact O-NE2 2.81Å
104S88.7Confident85Confident84 Ų8482.6 Ų82.659%0.58739%0.394SS*.THydrogen-bonded Turntrans-118.2-4.1176.858.70000112.9H101 Y102 K106H101-S104 CarbonylContact O-C 3.57Å; H101-S104 PolarHBondContact O-N 2.85Å; H101-S104 PolarHBondContact O-OG 2.99Å; Y102-S104 VanDerWaalsContact C-N 3.33Å; Y102-S104 PolarHBondContact O-N 3.13Å; S104-K106 PolarHBondContact O-N 3.13Å
105C88.5Confident82.7Confident6 Ų682.7 Ų82.74%0.04141%0.407CS..  trans-85.499.5177.3-172.60000109.6C89 H101 K107 Y108 Q109C89-C105 VanDerWaalsContact SG-SG 3.6Å; H101-C105 VanDerWaalsContact O-CB 3.25Å; H101-C105 WeakPolarHBondContact O-CB 3.4Å; H101-C105 PolarHBondContact O-N 3.21Å; C105-K107 VanDerWaalsContact C-N 3.29Å; C105-K107 PolarHBondContact O-N 3.09Å; C105-Y108 WeakPolarHBondContact O-CB 3.35Å; C105-Y108 PolarHBondContact O-N 2.67Å; C105-Q109 PolarHBondContact O-N 3.48Å
106K87Confident80.4Confident151 Ų15188.2 Ų88.266%0.65745%0.446SS*.Hα-helixtrans-51.3-47.7177.9-165.4-179.2179.4-178.10112.3S104 Y108 Q109 D110S104-K106 PolarHBondContact O-N 3.13Å; K106-Y108 VanDerWaalsContact C-N 3.28Å; K106-Y108 PolarHBondContact O-N 2.89Å; K106-Q109 WeakPolarHBondContact O-CB 3.14Å; K106-Q109 PolarHBondContact O-N 3.05Å; K106-Q109 VanDerWaalsContact O-N 3.07Å; K106-D110 PolarHBondContact O-N 2.99Å
107K85.9Confident78Confident130 Ų13088.7 Ų88.757%0.56546%0.459SS*.Hα-helixtrans-58.5-35.2177.4-65-170.8174.7-171.50113.8C88 C89 C105 E111C88-K107 HydrophobicContact CB-CB 3.81Å; C88-K107 WeakPolarHBondContact O-CD 3.26Å; C89-K107 HydrophobicContact CB-CD 4.22Å; C105-K107 VanDerWaalsContact C-N 3.29Å; C105-K107 PolarHBondContact O-N 3.09Å; K107-E111 PolarHBondContact O-N 3.46Å
108Y84.4Confident75.7Confident35 Ų3588.6 Ų88.614%0.13747%0.468CS..Hα-helixtrans-74.4-38.9176.8-175.4-86.8000111.4E23 Y102 C105 K106 E111 Y112E23-Y108 PolarHBondContact OE1-OH 3.23Å; Y102-Y108 HydrophobicContact CD1-CD1 4.1Å; Y102-Y108 AromaticContact CD1-CD2 3.46Å; Y102-Y108 HydrophobicContact CD1-CD2 3.46Å; Y102-Y108 VanDerWaalsContact CD1-CD2 3.46Å; Y102-Y108 HydrophobicContact CD1-CE1 4.23Å; Y102-Y108 AromaticContact CD1-CE2 3.59Å; Y102-Y108 HydrophobicContact CD1-CE2 3.59Å; Y102-Y108 AromaticContact CD1-CG 3.72Å; Y102-Y108 HydrophobicContact CD1-CG 3.72Å; Y102-Y108 AromaticContact CD1-CZ 3.98Å; Y102-Y108 HydrophobicContact CD2-CE1 4.12Å; Y102-Y108 HydrophobicContact CD2-CE2 4.01Å; Y102-Y108 AromaticContact CD2-CZ 3.7Å; Y102-Y108 AromaticContact CE1-CD2 3.74Å; Y102-Y108 HydrophobicContact CE1-CD2 3.74Å; Y102-Y108 AromaticContact CE1-CE2 3.69Å; Y102-Y108 HydrophobicContact CE1-CE2 3.69Å; Y102-Y108 HydrophobicContact CE1-CG 4.45Å; Y102-Y108 HydrophobicContact CE2-CE2 4.09Å; Y102-Y108 AromaticContact CG-CD1 3.93Å; Y102-Y108 HydrophobicContact CG-CD1 3.93Å; Y102-Y108 AromaticContact CG-CD2 3.99Å; Y102-Y108 HydrophobicContact CG-CD2 3.99Å; Y102-Y108 AromaticContact CG-CE1 3.74Å; Y102-Y108 HydrophobicContact CG-CE1 3.74Å; Y102-Y108 AromaticContact CG-CE2 3.78Å; Y102-Y108 HydrophobicContact CG-CE2 3.78Å; Y102-Y108 HydrophobicContact CG-CG 4.05Å; Y102-Y108 AromaticContact CG-CZ 3.65Å; Y102-Y108 AromaticContact CZ-CE2 3.94Å; C105-Y108 WeakPolarHBondContact O-CB 3.35Å; C105-Y108 PolarHBondContact O-N 2.67Å; K106-Y108 VanDerWaalsContact C-N 3.28Å; K106-Y108 PolarHBondContact O-N 2.89Å; Y108-E111 PolarHBondContact O-N 3.42Å; Y108-Y112 AromaticContact CD2-CD2 3.98Å; Y108-Y112 HydrophobicContact CD2-CD2 3.98Å; Y108-Y112 AromaticContact CE2-CD2 3.98Å; Y108-Y112 HydrophobicContact CE2-CD2 3.98Å; Y108-Y112 HydrophobicContact CE2-CG 4.39Å; Y108-Y112 HydrophobicContact CG-CD2 4.46Å; Y108-Y112 PolarHBondContact O-N 3.07Å
109Q84.8Confident73.1Confident86 Ų8693 Ų9340%0.40250%0.496SS..Hα-helixtrans-65.3-40.9176.9-68.5177.3-800112.1K103 C105 K106 E111 G113K103-Q109 VanDerWaalsContact C-NE2 3.29Å; K103-Q109 PolarHBondContact O-NE2 2.81Å; C105-Q109 PolarHBondContact O-N 3.48Å; K106-Q109 WeakPolarHBondContact O-CB 3.14Å; K106-Q109 PolarHBondContact O-N 3.05Å; K106-Q109 VanDerWaalsContact O-N 3.07Å; Q109-E111 VanDerWaalsContact C-N 3.26Å; Q109-E111 PolarHBondContact O-N 2.93Å; Q109-G113 WeakPolarHBondContact O-CA 3.35Å; Q109-G113 PolarHBondContact O-N 3.09Å
110D83.5Confident70.5Confident120 Ų12097.1 Ų97.164%0.64252%0.523SS*.Hα-helixtrans-64.9-31.6-179.9-61.3-23.2000111.7K106K106-D110 PolarHBondContact O-N 2.99Å
111E83.4Confident67.7Low107 Ų10799.4 Ų99.450%0.553%0.531SS..Hα-helixtrans-94.7-36.7-176.7-167.8-176164.700113.8C88 K107 Y108 Q109C88-E111 PolarHBondContact SG-OE2 2.9Å; C88-E111 VanDerWaalsContact SG-OE2 3.42Å; K107-E111 PolarHBondContact O-N 3.46Å; Y108-E111 PolarHBondContact O-N 3.42Å; Q109-E111 VanDerWaalsContact C-N 3.26Å; Q109-E111 PolarHBondContact O-N 2.93Å
112Y78.7Confident65Low107 Ų107107.3 Ų107.342%0.4257%0.566SS.*Hα-helixtrans-126.6-3.1-171.8-60.9-80.8000114.1Y108 V114Y108-Y112 AromaticContact CD2-CD2 3.98Å; Y108-Y112 HydrophobicContact CD2-CD2 3.98Å; Y108-Y112 AromaticContact CE2-CD2 3.98Å; Y108-Y112 HydrophobicContact CE2-CD2 3.98Å; Y108-Y112 HydrophobicContact CE2-CG 4.39Å; Y108-Y112 HydrophobicContact CG-CD2 4.46Å; Y108-Y112 PolarHBondContact O-N 3.07Å; Y112-V114 PolarHBondContact O-N 3.26Å
113G72Confident62.5Low46 Ų46113.5 Ų113.547%0.47460%0.598SS.*  trans-72.3116.9179.100000111.1Q109 S115Q109-G113 WeakPolarHBondContact O-CA 3.35Å; Q109-G113 PolarHBondContact O-N 3.09Å; G113-S115 PolarHBondContact O-N 3.19Å
114V54.3Low59.9Low133 Ų133110.9 Ų110.981%0.80660%0.6SS**  trans-69.9114.2164.5-175.30000107Y112 S116Y112-V114 PolarHBondContact O-N 3.26Å; V114-S116 PolarHBondContact O-N 3.11Å
115S42.4Very low57.3Low98 Ų98115.4 Ų115.469%0.68561%0.612SS**  trans-58.9119.6173.5-150.60000108.2G113 V117G113-S115 PolarHBondContact O-N 3.19Å; S115-V117 PolarHBondContact O-N 3.31Å
116S41.2Very low54.6Low119 Ų119122.1 Ų122.183%0.83265%0.647SS**  trans-68.923.1-177.5-54.70000114.2V114 I118V114-S116 PolarHBondContact O-N 3.11Å; S116-I118 PolarHBondContact O-N 3.49Å; S116-I118 VanDerWaalsContact O-N 3.09Å
117V40Very low52Low110 Ų110120 Ų12067%0.66765%0.651SS**  trans-81.491.3173.7-172.90000107.4S115 P119S115-V117 PolarHBondContact O-N 3.31Å; V117-P119 VanDerWaalsContact O-CD 3.26Å; V117-P119 WeakPolarHBondContact O-CD 3.32Å
118I40.7Very low49.5Very low146 Ų146120.9 Ų120.975%0.74967%0.667SS**  trans-72.4113158.8-58.3168.3000105.4S116 N120S116-I118 PolarHBondContact O-N 3.49Å; S116-I118 VanDerWaalsContact O-N 3.09Å; I118-N120 PolarHBondContact O-N 2.82Å
119P35.5Very low46.9Very low92 Ų92130.7 Ų130.760%0.59770%0.704SS**  trans-64.9121.1164.9-11.728.6000106.8V117 F121V117-P119 VanDerWaalsContact O-CD 3.26Å; V117-P119 WeakPolarHBondContact O-CD 3.32Å; P119-F121 VanDerWaalsContact C-N 3.29Å; P119-F121 PolarHBondContact O-N 2.79Å
120N34.1Very low44.3Very low147 Ų147132.8 Ų132.879%0.78672%0.718SS**  trans-59.290.8170.6-103.4-62.1000109.1I118 K122I118-N120 PolarHBondContact O-N 2.82Å; N120-K122 PolarHBondContact O-N 3.25Å; N120-K122 VanDerWaalsContact O-N 3.14Å
121F32.3Very low41.8Very low182 Ų182131.8 Ų131.880%0.79872%0.721SS**  trans-76.493.9161.3-98.5-87.4000107.7P119 I123P119-F121 VanDerWaalsContact C-N 3.29Å; P119-F121 PolarHBondContact O-N 2.79Å; F121-I123 PolarHBondContact O-N 2.89Å; F121-I123 VanDerWaalsContact O-N 3.11Å
122K33.6Very low39.3Very low183 Ų183133.6 Ų133.680%0.79673%0.734SS**  trans-70.898.2163.3-74.5-175.8176.4-178.20107.5N120 S124N120-K122 PolarHBondContact O-N 3.25Å; N120-K122 VanDerWaalsContact O-N 3.14Å; K122-S124 PolarHBondContact O-N 3.39Å
123I33.9Very low37.1Very low142 Ų142139.4 Ų139.473%0.72876%0.755SS**  trans-78.7102.3165.5-62.7168.3000105.9F121 Q125F121-I123 PolarHBondContact O-N 2.89Å; F121-I123 VanDerWaalsContact O-N 3.11Å; I123-Q125 PolarHBondContact O-N 3.16Å
124S33.7Very low35.2Very low104 Ų104141.2 Ų141.273%0.72776%0.76SS**  trans-67.5113.1166.2-64.50000108K122 D126K122-S124 PolarHBondContact O-N 3.39Å; S124-D126 PolarHBondContact O-N 3.12Å
125Q33.9Very low33.9Very low180 Ų180143.4 Ų143.484%0.84176%0.762SS**  trans-78.5109.1164.4-71.1-180-7.600107.6I123I123-Q125 PolarHBondContact O-N 3.16Å
126D30.2Very low33.1Very low147 Ų147144.6 Ų144.679%0.78677%0.765SS**  trans-109.1105.1158.4-80.4-35.8000109.2S124S124-D126 PolarHBondContact O-N 3.12Å
127S33.8Very low32.5Very low106 Ų106143.6 Ų143.674%0.74176%0.758SS**  trans4.7119.9151.237.50000119R129S127-R129 PolarHBondContact O-N 3.05Å
128V32.3Very low31.8Very low148 Ų148144.5 Ų144.590%0.89776%0.764SS**  trans-63.4119.3156.6176.50000109.6
129R29.7Very low31.5Very low241 Ų241142 Ų14291%0.90976%0.76SS**  trans-132.4122.4155.6-171.3172.3-171.6167.22.2110.1S127S127-R129 PolarHBondContact O-N 3.05Å
130N30.3Very low31.1Very low130 Ų130144.3 Ų144.370%0.69577%0.767SS**  trans-76.5137.2-179.7-163.934.9000112.1
131S32Very low30.9Very low100 Ų100145.2 Ų145.270%0.69977%0.771SS**  trans171.6113.4133.8-79.60000113.3
132N31.8Very low30.9Very low144 Ų144142.5 Ų142.577%0.7777%0.77SS**  trans38.2138.6131-54.2-19.2000123.1
133R30.9Very low30.6Very low230 Ų230142 Ų14287%0.86877%0.771SS**  trans110.5107.1140.4-106.9-175.5170.7-92.40.2119.4
134S32.3Very low30.4Very low83 Ų83140.6 Ų140.658%0.5877%0.769SS**  59.6119126.4-55.80000123.3
135E27.1Very low30.1Very low180 Ų180146.7 Ų146.784%0.84178%0.777SS**  trans77.3128.2130.4-63.6-174.2161.600122.3
136T25.4Very low29.9Very low122 Ų122146.4 Ų146.475%0.74878%0.776SS**  trans120.6107137.2-42.60000116.3
137S29.8Very low30.3Very low99 Ų99148 Ų14869%0.69278%0.779SS**  trans39.6142.2136-36.90000123.9
138T25.6Very low30Very low129 Ų129149.5 Ų149.579%0.79178%0.779SS**  trans91.4106.9143.7310000120.6
139S33.1Very low30Very low94 Ų94148.2 Ų148.266%0.65777%0.771SS**  96.9114127.5-49.20000119.8
140D26.7Very low30.6Very low139 Ų139142.6 Ų142.674%0.74377%0.769SS**  trans65.3109.2138.7-55.3-26.6000118.9
141N31.5Very low30.9Very low166 Ų166141.2 Ų141.289%0.88877%0.769SS**  -153.8118.9112.6-85.5-48.2000110.6
142T31.4Very low31.6Very low125 Ų125141.7 Ų141.777%0.76777%0.772SS**  trans-58.3126.6167.839.90000112.4
143E27.7Very low32.5Very low174 Ų174138.7 Ų138.781%0.81378%0.776SS**  trans-148.394.7137.8-72.8-153.8131.400110
144T29.5Very low34Very low112 Ų112133.7 Ų133.769%0.68776%0.762SS**  trans37.990.3135-25.80000118.7Q146T144-Q146 HydrophobicContact CG2-CG 4.33Å
145Y27.1Very low36Very low231 Ų231133.5 Ų133.591%0.90676%0.759SS**  trans-114.5102.7145.8-74.2-80.8000108E147Y145-E147 PolarHBondContact O-N 2.99Å; Y145-E147 VanDerWaalsContact O-N 3.1Å
146Q28.9Very low38.8Very low174 Ų174129.2 Ų129.281%0.81375%0.745SS**  trans-70.4100.8171.6-84.5173.5-36.900108.9T144T144-Q146 HydrophobicContact CG2-CG 4.33Å
147E38.5Very low41.9Very low180 Ų180124 Ų12484%0.84171%0.712SS**  trans-72131.5148.4-73-178.412900108.9Y145Y145-E147 PolarHBondContact O-N 2.99Å; Y145-E147 VanDerWaalsContact O-N 3.1Å
148N29.4Very low44.7Very low139 Ų139125.7 Ų125.774%0.74371%0.707SS**  trans-154.896154.2-93-24.4000107.1
149T30.5Very low47.8Very low120 Ų120119.5 Ų119.574%0.73667%0.669SS**  98.992.29548.30000114
150S43.2Very low50.3Low123 Ų123116.5 Ų116.586%0.8665%0.648SS**  trans50.984.9131.3-42.30000120.7
151S37.4Very low53.2Low102 Ų102111.3 Ų111.371%0.71362%0.62SS**SBendtrans-155.3108.213272.20000108.5G153S151-G153 PolarHBondContact O-N 3.2Å
152S45.3Very low55.9Low109 Ų109105.7 Ų105.776%0.76259%0.593SS**  trans31.177.5177.259.60000114.3H154S152-H154 PolarHBondContact O-N 3.01Å
153G51.6Low58.5Low82 Ų82106.2 Ų106.285%0.84559%0.586SS**  trans-66.834.8-16100000118.4S151S151-G153 PolarHBondContact O-N 3.2Å
154H61Low61.2Low124 Ų124102.9 Ų102.957%0.57457%0.571SS**PPolyproline II helixtrans-83.5132.7173.1-66.1-76.3000110.6S152 T156S152-H154 PolarHBondContact O-N 3.01Å; H154-T156 PolarHBondContact O-N 3.25Å
155P74.8Confident63.9Low80 Ų80100 Ų10052%0.51956%0.556SS.*PPolyproline II helixtrans-59.7132.5175.224.3-32.5000110.2F157P155-F157 HydrophobicContact CB-CE1 4.43Å; P155-F157 HydrophobicContact CB-CE2 4.29Å; P155-F157 HydrophobicContact CB-CZ 3.89Å; P155-F157 HydrophobicContact CG-CE2 4.1Å; P155-F157 HydrophobicContact CG-CZ 3.77Å; P155-F157 WeakPolarHBondContact O-CE2 3.38Å
156T86.9Confident66.7Low89 Ų8995 Ų9555%0.54654%0.544SS..PPolyproline II helixtrans-94.6136.9175.957.70000110.9H154 F167H154-T156 PolarHBondContact O-N 3.25Å; T156-F167 CarbonylContact C-O 3.55Å; T156-F167 WeakPolarHBondContact CA-O 3.47Å
157F89.1Confident69.3Low14 Ų1488.1 Ų88.16%0.06151%0.512CS..BIsolated β-bridgetrans-115.1156.9-176.8-55.5-77.5000111.8P155 N166 F167 R169 L172 P190 I191 S194P155-F157 HydrophobicContact CB-CE1 4.43Å; P155-F157 HydrophobicContact CB-CE2 4.29Å; P155-F157 HydrophobicContact CB-CZ 3.89Å; P155-F157 HydrophobicContact CG-CE2 4.1Å; P155-F157 HydrophobicContact CG-CZ 3.77Å; P155-F157 WeakPolarHBondContact O-CE2 3.38Å; F157-N166 PolarHBondContact O-N 2.83Å; F157-F167 PolarHBondContact N-O 2.74Å; F157-F167 PolarHBondContact O-N 3.49Å; F157-F167 VanDerWaalsContact O-N 3.13Å; F157-R169 HydrophobicContact CE2-CB 4.04Å; F157-L172 HydrophobicContact CB-CD2 3.78Å; F157-L172 HydrophobicContact CG-CD2 4.49Å; F157-P190 HydrophobicContact CB-CG 4.44Å; F157-P190 HydrophobicContact CD1-CB 4.19Å; F157-I191 HydrophobicContact CD1-CG1 3.87Å; F157-I191 HydrophobicContact CD2-CG1 3.99Å; F157-I191 HydrophobicContact CE1-CB 4.17Å; F157-I191 HydrophobicContact CE1-CG1 3.87Å; F157-I191 HydrophobicContact CE1-CG2 4.47Å; F157-I191 HydrophobicContact CE2-CG1 4Å; F157-I191 HydrophobicContact CG-CG1 3.93Å; F157-I191 HydrophobicContact CZ-CB 4.33Å; F157-I191 HydrophobicContact CZ-CG1 3.94Å; F157-I191 HydrophobicContact CZ-CG2 4.2Å; F157-S194 WeakPolarHBondContact CE1-OG 3.42Å
158K89.6Confident71.5Confident133 Ų13382.3 Ų82.358%0.57849%0.489SS*.  trans-106.3139.3172.6-58.2-171.4176.7178.30109.7P160 E164K158-P160 WeakPolarHBondContact O-CD 3.29Å; K158-E164 CarbonylContact C-O 3.52Å; K158-E164 WeakPolarHBondContact CA-O 3.42Å
159C89.8Confident74.1Confident0 Ų078.1 Ų78.10%046%0.462CS..  trans-73.3118.3175.3-178.80000109.9L161 C162 Q163 E164 F167 L172C159-L161 PolarHBondContact O-N 3.45Å; C159-C162 VanDerWaalsContact CB-SG 3.53Å; C159-C162 PolarHBondContact SG-SG 3.14Å; C159-Q163 WeakPolarHBondContact O-CA 3.5Å; C159-Q163 PolarHBondContact O-N 3.09Å; C159-E164 PolarHBondContact N-O 3.2Å; C159-F167 HydrophobicContact CB-CD2 4.46Å; C159-F167 HydrophobicContact CB-CE2 4.12Å; C159-L172 HydrophobicContact CB-CD1 3.71Å
160P87.5Confident76.5Confident31 Ų3176.1 Ų76.120%0.20145%0.445CS..THydrogen-bonded Turntrans-72-8.1-178.630.5-35.8000113.7K158 V187 F207K158-P160 WeakPolarHBondContact O-CD 3.29Å; P160-V187 HydrophobicContact CB-CB 3.88Å; P160-V187 HydrophobicContact CB-CG1 4.01Å; P160-V187 HydrophobicContact CB-CG2 4.15Å; P160-V187 HydrophobicContact CG-CB 4.1Å; P160-V187 HydrophobicContact CG-CG1 4.46Å; P160-V187 HydrophobicContact CG-CG2 3.78Å; P160-F207 HydrophobicContact CG-CD1 3.79Å; P160-F207 HydrophobicContact CG-CD2 4.19Å; P160-F207 HydrophobicContact CG-CE1 3.52Å; P160-F207 HydrophobicContact CG-CE2 3.98Å; P160-F207 HydrophobicContact CG-CG 4.11Å; P160-F207 HydrophobicContact CG-CZ 3.63Å
161L85.7Confident78.5Confident30 Ų3077.9 Ų77.916%0.15743%0.432CS..THydrogen-bonded Turntrans-94.5-36.7-178.4-57.7178.2000113.1C159 H180 Q183 V185 V187 F207 V208C159-L161 PolarHBondContact O-N 3.45Å; L161-H180 HydrophobicContact CD1-CB 3.49Å; L161-H180 VanDerWaalsContact CD1-CB 3.49Å; L161-Q183 HydrophobicContact CD1-CB 4.32Å; L161-V185 HydrophobicContact CD2-CB 3.98Å; L161-V185 HydrophobicContact CD2-CG2 4.48Å; L161-V187 HydrophobicContact CD2-CG1 4.06Å; L161-F207 HydrophobicContact CD1-CB 4.38Å; L161-F207 HydrophobicContact CD1-CD1 4.01Å; L161-F207 HydrophobicContact CG-CD1 4.18Å; L161-V208 HydrophobicContact CD1-CG2 4.5Å
162C88.9Confident81Confident47 Ų4773 Ų7332%0.31840%0.398SS..THydrogen-bonded Turntrans-124-4.6-177.765.80000114.2C159 E164 H175 H180C159-C162 VanDerWaalsContact CB-SG 3.53Å; C159-C162 PolarHBondContact SG-SG 3.14Å; C162-E164 PolarHBondContact O-N 3.26Å; C162-H175 PolarHBondContact SG-NE2 3.05Å; C162-H180 PolarHBondContact SG-NE2 3.45Å
163Q85.6Confident83Confident137 Ų13768.3 Ų68.364%0.6436%0.364SS*.  trans65.18-178.8-52.7-65.7-5.400115.9C159C159-Q163 WeakPolarHBondContact O-CA 3.5Å; C159-Q163 PolarHBondContact O-N 3.09Å
164E84.4Confident84.7Confident104 Ų10467.3 Ų67.349%0.48634%0.34SS..  trans-60.4145.9168.5-70.6-177.6-17000110.7K158 C159 C162 F167 H175K158-E164 CarbonylContact C-O 3.52Å; K158-E164 WeakPolarHBondContact CA-O 3.42Å; C159-E164 PolarHBondContact N-O 3.2Å; C162-E164 PolarHBondContact O-N 3.26Å; E164-F167 HydrophobicContact CB-CE2 3.48Å; E164-F167 VanDerWaalsContact CB-CE2 3.48Å; E164-F167 HydrophobicContact CB-CZ 3.72Å; E164-F167 WeakPolarHBondContact O-CE2 3.42Å; E164-F167 WeakPolarHBondContact OE2-CZ 3.08Å; E164-H175 IonicContact OE2-CE1 3.89Å; E164-H175 PolarHBondContact OE2-CE1 3.14Å; E164-H175 IonicContact OE2-ND1 2.86Å; E164-H175 PolarHBondContact OE2-ND1 3.48Å
165S87.2Confident86.1Confident52 Ų5262.4 Ų62.436%0.36432%0.317SS..  trans-130.7175.9-168.462.90000112.5F167S165-F167 VanDerWaalsContact C-N 3.34Å
166N85.1Confident86.8Confident124 Ų12458.6 Ų58.666%0.66329%0.292SS*.  trans67.829.2-178.3-50.7-54.1000114.1F157F157-N166 PolarHBondContact O-N 2.83Å
167F84.1Confident86.8Confident31 Ų3156.2 Ų56.214%0.13628%0.276CS..BIsolated β-bridgetrans-85.2131.8173-63.9-64.7000110.9T156 F157 C159 E164 S165 R171 L172 H175T156-F167 CarbonylContact C-O 3.55Å; T156-F167 WeakPolarHBondContact CA-O 3.47Å; F157-F167 PolarHBondContact N-O 2.74Å; F157-F167 PolarHBondContact O-N 3.49Å; F157-F167 VanDerWaalsContact O-N 3.13Å; C159-F167 HydrophobicContact CB-CD2 4.46Å; C159-F167 HydrophobicContact CB-CE2 4.12Å; E164-F167 HydrophobicContact CB-CE2 3.48Å; E164-F167 VanDerWaalsContact CB-CE2 3.48Å; E164-F167 HydrophobicContact CB-CZ 3.72Å; E164-F167 WeakPolarHBondContact O-CE2 3.42Å; E164-F167 WeakPolarHBondContact OE2-CZ 3.08Å; S165-F167 VanDerWaalsContact C-N 3.34Å; F167-R171 HydrophobicContact CB-CB 4.44Å; F167-R171 HydrophobicContact CD1-CB 4.05Å; F167-L172 HydrophobicContact CB-CB 3.76Å; F167-L172 HydrophobicContact CB-CD1 4.42Å; F167-L172 HydrophobicContact CD2-CD1 3.9Å; F167-L172 HydrophobicContact CG-CB 4.35Å; F167-L172 HydrophobicContact CG-CD1 4.35Å; F167-H175 HydrophobicContact CE1-CB 4.08Å; F167-H175 HydrophobicContact CZ-CB 4.2Å; F167-H175 AromaticContact CZ-CG 3.75Å; F167-H175 AromaticContact CZ-ND1 3.65Å
168T84.7Confident86.7Confident58 Ų5859.8 Ų59.836%0.35630%0.303SS..  trans-65.2162.6156.8640000109.2Q170 R171 L172T168-Q170 VanDerWaalsContact C-N 3.27Å; T168-Q170 PolarHBondContact O-N 3.14Å; T168-R171 PolarHBondContact O-N 2.67Å; T168-R171 VanDerWaalsContact O-N 3.15Å; T168-R171 WeakPolarHBondContact OG1-CB 3.29Å; T168-R171 VanDerWaalsContact OG1-CG 3.29Å; T168-R171 WeakPolarHBondContact OG1-CG 3.45Å; T168-R171 PolarHBondContact OG1-N 3.32Å; T168-L172 PolarHBondContact O-N 2.92Å
169R82.9Confident86.5Confident51 Ų5158.2 Ų58.219%0.19230%0.301CS..Hα-helixtrans-47.8-50.1177.4-179.1-173.5176.5123-27112.3F157 L172 L173 I191 R214 H215 F217F157-R169 HydrophobicContact CE2-CB 4.04Å; R169-L172 PolarHBondContact O-N 3.23Å; R169-L173 PolarHBondContact O-N 2.88Å; R169-I191 HydrophobicContact CG-CD1 3.95Å; R169-I191 VanDerWaalsContact NH1-CG2 3.28Å; R169-R214 PolarHBondContact NH2-O 3.1Å; R169-H215 PolarHBondContact NE-O 2.85Å; R169-H215 VanDerWaalsContact NE-O 3.09Å; R169-H215 PolarHBondContact NH1-ND1 3.42Å; R169-H215 VanDerWaalsContact NH2-CA 3.33Å; R169-H215 PolarHBondContact NH2-ND1 3.49Å; R169-F217 PolarHBondContact NH2-O 3.42Å
170Q82.8Confident86.4Confident78 Ų7858.9 Ų58.936%0.36430%0.304SS..Hα-helixtrans-66.5-43.6-178.6-161.368.82.100112.2T168 L172 L173 D174T168-Q170 VanDerWaalsContact C-N 3.27Å; T168-Q170 PolarHBondContact O-N 3.14Å; Q170-L172 VanDerWaalsContact C-N 3.28Å; Q170-L172 PolarHBondContact O-N 3.14Å; Q170-L173 WeakPolarHBondContact O-CB 3.45Å; Q170-L173 PolarHBondContact O-N 3.18Å; Q170-L173 VanDerWaalsContact O-N 3.11Å; Q170-D174 PolarHBondContact O-N 2.92Å
171R85.3Confident85.9Confident160 Ų16061.8 Ų61.860%0.60432%0.318SS*.Hα-helixtrans-66.4-31.3179.7-70.4-71.6138.1141.41.4112.6F167 T168 D174 H175F167-R171 HydrophobicContact CB-CB 4.44Å; F167-R171 HydrophobicContact CD1-CB 4.05Å; T168-R171 PolarHBondContact O-N 2.67Å; T168-R171 VanDerWaalsContact O-N 3.15Å; T168-R171 WeakPolarHBondContact OG1-CB 3.29Å; T168-R171 VanDerWaalsContact OG1-CG 3.29Å; T168-R171 WeakPolarHBondContact OG1-CG 3.45Å; T168-R171 PolarHBondContact OG1-N 3.32Å; R171-D174 IonicContact NE-OD2 3.85Å; R171-H175 WeakPolarHBondContact O-CB 3.44Å; R171-H175 PolarHBondContact O-N 3.12Å
172L88.2Confident85.4Confident0 Ų069.4 Ų69.40%035%0.35CS..Hα-helixtrans-65.7-41.8173.1-178.159.2000111F157 C159 F167 T168 R169 Q170 C176 P190 I191 F207 L211F157-L172 HydrophobicContact CB-CD2 3.78Å; F157-L172 HydrophobicContact CG-CD2 4.49Å; C159-L172 HydrophobicContact CB-CD1 3.71Å; F167-L172 HydrophobicContact CB-CB 3.76Å; F167-L172 HydrophobicContact CB-CD1 4.42Å; F167-L172 HydrophobicContact CD2-CD1 3.9Å; F167-L172 HydrophobicContact CG-CB 4.35Å; F167-L172 HydrophobicContact CG-CD1 4.35Å; T168-L172 PolarHBondContact O-N 2.92Å; R169-L172 PolarHBondContact O-N 3.23Å; Q170-L172 VanDerWaalsContact C-N 3.28Å; Q170-L172 PolarHBondContact O-N 3.14Å; L172-C176 VanDerWaalsContact O-CB 3.31Å; L172-C176 WeakPolarHBondContact O-CB 3.16Å; L172-C176 PolarHBondContact O-N 2.71Å; L172-C176 PolarHBondContact O-SG 3.42Å; L172-P190 HydrophobicContact CD2-CG 4.15Å; L172-I191 HydrophobicContact CD2-CD1 4.08Å; L172-I191 HydrophobicContact CD2-CG1 4.36Å; L172-F207 HydrophobicContact CD2-CZ 4.2Å; L172-L211 HydrophobicContact CG-CD1 4.31Å
173L87.9Confident84.8Confident9 Ų970.8 Ų70.85%0.04735%0.351CS..Hα-helixtrans-63.2-48.7176.8-173.9149000111.4R169 Q170 H175 C176 N177 L211 Q216R169-L173 PolarHBondContact O-N 2.88Å; Q170-L173 WeakPolarHBondContact O-CB 3.45Å; Q170-L173 PolarHBondContact O-N 3.18Å; Q170-L173 VanDerWaalsContact O-N 3.11Å; L173-H175 PolarHBondContact O-N 2.86Å; L173-C176 PolarHBondContact O-N 2.9Å; L173-N177 WeakPolarHBondContact CD2-ND2 3.18Å; L173-N177 WeakPolarHBondContact O-CB 3.48Å; L173-N177 PolarHBondContact O-N 2.93Å; L173-N177 PolarHBondContact O-ND2 3.12Å; L173-L211 HydrophobicContact CD1-CB 4.26Å; L173-L211 HydrophobicContact CG-CB 4.39Å; L173-Q216 HydrophobicContact CD1-CB 4.3Å
174D86.6Confident84.3Confident62 Ų6270.1 Ų70.133%0.33235%0.351SS..Hα-helixtrans-61.3-44.6178-64.8-26.9000111.9Q170 R171 N177 S178Q170-D174 PolarHBondContact O-N 2.92Å; R171-D174 IonicContact NE-OD2 3.85Å; D174-N177 PolarHBondContact O-N 2.99Å; D174-S178 WeakPolarHBondContact O-CB 3.27Å; D174-S178 PolarHBondContact O-N 3.4Å; D174-S178 PolarHBondContact O-OG 2.93Å
175H91.7Very high84Confident20 Ų2068.4 Ų68.49%0.09335%0.347CS..Hα-helixtrans-59.7-48.4176.4166.788.6000111.3C162 E164 F167 R171 L173 N177 S178 N179 H180C162-H175 PolarHBondContact SG-NE2 3.05Å; E164-H175 IonicContact OE2-CE1 3.89Å; E164-H175 PolarHBondContact OE2-CE1 3.14Å; E164-H175 IonicContact OE2-ND1 2.86Å; E164-H175 PolarHBondContact OE2-ND1 3.48Å; F167-H175 HydrophobicContact CE1-CB 4.08Å; F167-H175 HydrophobicContact CZ-CB 4.2Å; F167-H175 AromaticContact CZ-CG 3.75Å; F167-H175 AromaticContact CZ-ND1 3.65Å; R171-H175 WeakPolarHBondContact O-CB 3.44Å; R171-H175 PolarHBondContact O-N 3.12Å; L173-H175 PolarHBondContact O-N 2.86Å; H175-N177 PolarHBondContact O-N 3.4Å; H175-S178 PolarHBondContact O-N 2.96Å; H175-N179 PolarHBondContact ND1-ND2 3.27Å; H175-N179 WeakPolarHBondContact O-CB 3.48Å; H175-N179 PolarHBondContact O-N 3.33Å; H175-N179 PolarHBondContact O-ND2 2.95Å; H175-H180 AromaticContact CD2-CD2 3.97Å; H175-H180 AromaticContact NE2-CD2 3.57Å; H175-H180 AromaticContact NE2-NE2 3.22Å; H175-H180 PolarHBondContact NE2-NE2 3.27Å
176C89.2Confident83.7Confident0 Ų070 Ų700%036%0.357CS..Hα-helixtrans-66-37.8179.7-74.20000112.6L172 L173 S178 H180 L181 F207 V208 L211L172-C176 VanDerWaalsContact O-CB 3.31Å; L172-C176 WeakPolarHBondContact O-CB 3.16Å; L172-C176 PolarHBondContact O-N 2.71Å; L172-C176 PolarHBondContact O-SG 3.42Å; L173-C176 PolarHBondContact O-N 2.9Å; C176-S178 VanDerWaalsContact C-N 3.28Å; C176-S178 PolarHBondContact O-N 3.06Å; C176-H180 CarbonylContact O-C 3.46Å; C176-H180 WeakPolarHBondContact O-CA 3.15Å; C176-H180 WeakPolarHBondContact O-CB 3.47Å; C176-H180 PolarHBondContact O-N 3.1Å; C176-L181 PolarHBondContact O-N 3.44Å; C176-F207 VanDerWaalsContact SG-CE1 3.57Å; C176-V208 HydrophobicContact CB-CG2 4.16Å; C176-L211 HydrophobicContact CB-CD1 3.91Å
177N86.9Confident83.9Confident40 Ų4065 Ų6521%0.21433%0.33CS..Hα-helixtrans-69.4-22.7174.4-80.4-35.2000113.4L173 D174 H175 L181 V208 N212L173-N177 WeakPolarHBondContact CD2-ND2 3.18Å; L173-N177 WeakPolarHBondContact O-CB 3.48Å; L173-N177 PolarHBondContact O-N 2.93Å; L173-N177 PolarHBondContact O-ND2 3.12Å; D174-N177 PolarHBondContact O-N 2.99Å; H175-N177 PolarHBondContact O-N 3.4Å; N177-L181 WeakPolarHBondContact O-CD1 3.11Å; N177-L181 WeakPolarHBondContact O-CG 3.2Å; N177-V208 WeakPolarHBondContact OD1-CG1 3.4Å; N177-N212 PolarHBondContact ND2-OD1 2.68Å; N177-N212 PolarHBondContact OD1-ND2 3.03Å
178S87.6Confident84.2Confident89 Ų8966 Ų6662%0.62234%0.339SS*.Hα-helixtrans-92.6-35.4179.6-55.80000112.4D174 H175 C176D174-S178 WeakPolarHBondContact O-CB 3.27Å; D174-S178 PolarHBondContact O-N 3.4Å; D174-S178 PolarHBondContact O-OG 2.93Å; H175-S178 PolarHBondContact O-N 2.96Å; C176-S178 VanDerWaalsContact C-N 3.28Å; C176-S178 PolarHBondContact O-N 3.06Å
179N84.9Confident84.4Confident100 Ų10063.3 Ų63.354%0.53532%0.323SS..Hα-helixtrans-111.7-16.7-168.4-59.8-68.7000114.2H175H175-N179 PolarHBondContact ND1-ND2 3.27Å; H175-N179 WeakPolarHBondContact O-CB 3.48Å; H175-N179 PolarHBondContact O-N 3.33Å; H175-N179 PolarHBondContact O-ND2 2.95Å
180H86.6Confident84.7Confident14 Ų1462.3 Ų62.37%0.06532%0.323CS..  trans-13315.8-167.4-59-52.2000115.5L161 C162 H175 C176 F182 Q183 V208L161-H180 HydrophobicContact CD1-CB 3.49Å; L161-H180 VanDerWaalsContact CD1-CB 3.49Å; C162-H180 PolarHBondContact SG-NE2 3.45Å; H175-H180 AromaticContact CD2-CD2 3.97Å; H175-H180 AromaticContact NE2-CD2 3.57Å; H175-H180 AromaticContact NE2-NE2 3.22Å; H175-H180 PolarHBondContact NE2-NE2 3.27Å; C176-H180 CarbonylContact O-C 3.46Å; C176-H180 WeakPolarHBondContact O-CA 3.15Å; C176-H180 WeakPolarHBondContact O-CB 3.47Å; C176-H180 PolarHBondContact O-N 3.1Å; H180-F182 PolarHBondContact O-N 3.09Å; H180-Q183 HydrophobicContact CB-CB 4.36Å; H180-Q183 HydrophobicContact CB-CG 4.39Å; H180-Q183 VanDerWaalsContact ND1-CD 3.27Å; H180-Q183 PolarHBondContact ND1-NE2 3.4Å; H180-Q183 PolarHBondContact ND1-OE1 2.83Å; H180-Q183 PolarHBondContact O-N 2.82Å; H180-V208 HydrophobicContact CB-CG2 4.09Å; H180-V208 WeakPolarHBondContact O-CG2 3.49Å
181L77.2Confident84.9Confident92 Ų9258.8 Ų58.848%0.48231%0.307SS..THydrogen-bonded Turntrans-46.8-37.1-176.8-79.3158.7000115.2C176 N177C176-L181 PolarHBondContact O-N 3.44Å; N177-L181 WeakPolarHBondContact O-CD1 3.11Å; N177-L181 WeakPolarHBondContact O-CG 3.2Å
182F76.4Confident85Confident189 Ų18952.7 Ų52.783%0.82929%0.288SS*.THydrogen-bonded Turntrans-104.24.4-175.3-54.4-67.3000113.8H180 I184H180-F182 PolarHBondContact O-N 3.09Å; F182-I184 PolarHBondContact O-N 2.79Å
183Q75.3Confident85Confident76 Ų7655.4 Ų55.436%0.35531%0.305SS..  trans-86.3106.6-179.3-63.4-167.720.900110.7L161 H180L161-Q183 HydrophobicContact CD1-CB 4.32Å; H180-Q183 HydrophobicContact CB-CB 4.36Å; H180-Q183 HydrophobicContact CB-CG 4.39Å; H180-Q183 VanDerWaalsContact ND1-CD 3.27Å; H180-Q183 PolarHBondContact ND1-NE2 3.4Å; H180-Q183 PolarHBondContact ND1-OE1 2.83Å; H180-Q183 PolarHBondContact O-N 2.82Å
184I75.9Confident84.8Confident123 Ų12358.7 Ų58.763%0.63133%0.328SS*.  trans-103.178.6177.5-53.6176.1000107.9F182 R205F182-I184 PolarHBondContact O-N 2.79Å; I184-R205 VanDerWaalsContact CG2-O 3.24Å; I184-R205 WeakPolarHBondContact CG2-O 3.3Å
185V77.9Confident84.5Confident68 Ų6858.8 Ų58.841%0.41233%0.329SS..  trans-114.6128.2177.1-176.40000108.4L161 V187L161-V185 HydrophobicContact CD2-CB 3.98Å; L161-V185 HydrophobicContact CD2-CG2 4.48Å; V185-V187 HydrophobicContact CB-CG1 4.5Å; V185-V187 HydrophobicContact CG1-CG1 4.14Å; V185-V187 PolarHBondContact O-N 2.69Å
186P81.1Confident83.6Confident86 Ų8663.4 Ų63.456%0.55836%0.36SS*.  trans-64117.1175.1-17.430.1000110.5I203 T204P186-I203 HydrophobicContact CB-CG2 3.53Å; P186-T204 WeakPolarHBondContact CA-O 3.38Å
187V89.4Confident82.9Confident18 Ų1873.2 Ų73.211%0.10940%0.397CS..EExtended strand (participates in β ladder)trans-140.2150.3179.5-61.90000110.7P160 L161 V185 T204 F207P160-V187 HydrophobicContact CB-CB 3.88Å; P160-V187 HydrophobicContact CB-CG1 4.01Å; P160-V187 HydrophobicContact CB-CG2 4.15Å; P160-V187 HydrophobicContact CG-CB 4.1Å; P160-V187 HydrophobicContact CG-CG1 4.46Å; P160-V187 HydrophobicContact CG-CG2 3.78Å; L161-V187 HydrophobicContact CD2-CG1 4.06Å; V185-V187 HydrophobicContact CB-CG1 4.5Å; V185-V187 HydrophobicContact CG1-CG1 4.14Å; V185-V187 PolarHBondContact O-N 2.69Å; V187-T204 PolarHBondContact N-O 3.22Å; V187-T204 PolarHBondContact O-N 2.83Å; V187-F207 HydrophobicContact CG2-CB 3.56Å; V187-F207 HydrophobicContact CG2-CD2 3.72Å; V187-F207 HydrophobicContact CG2-CG 3.67Å
188T89.4Confident82.3Confident52 Ų5272.5 Ų72.532%0.31940%0.399SS..EExtended strand (participates in β ladder)trans-77.9133.6169.1-560000109.1P190 V193 P200T188-P190 WeakPolarHBondContact O-CD 3.39Å; T188-V193 HydrophobicContact CG2-CG2 3.4Å; T188-P200 WeakPolarHBondContact CG2-O 3.34Å
189C89.8Confident81.8Confident2 Ų271.4 Ų71.41%0.01439%0.386CS..  trans-75.1118.7179.3178.20000110.3I191 C192 V193 F207 H210C189-I191 PolarHBondContact O-N 3.17Å; C189-C192 HydrophobicContact CB-CB 3.96Å; C189-C192 PolarHBondContact O-N 2.75Å; C189-V193 WeakPolarHBondContact O-CG2 3.46Å; C189-V193 PolarHBondContact O-N 3.07Å; C189-F207 HydrophobicContact CB-CE2 4.03Å; C189-H210 WeakPolarHBondContact CB-NE2 3.5Å; C189-H210 PolarHBondContact SG-NE2 3.26Å
190P88.6Confident81.8Confident30 Ų3070.8 Ų70.820%0.19539%0.388CS..Hα-helixtrans-65.3-30-178.827.3-34.9000112.1F157 L172 T188 S194 F207F157-P190 HydrophobicContact CB-CG 4.44Å; F157-P190 HydrophobicContact CD1-CB 4.19Å; L172-P190 HydrophobicContact CD2-CG 4.15Å; T188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-S194 PolarHBondContact O-N 3.41Å; P190-S194 PolarHBondContact O-OG 3.44Å; P190-F207 HydrophobicContact CG-CZ 4.38Å
191I87Confident81.7Confident5 Ų574.1 Ų74.13%0.02641%0.412CS..Hα-helixtrans-70.1-41.5177.5-56.7159.5000111F157 R169 L172 C189 S194 L211 H215F157-I191 HydrophobicContact CD1-CG1 3.87Å; F157-I191 HydrophobicContact CD2-CG1 3.99Å; F157-I191 HydrophobicContact CE1-CB 4.17Å; F157-I191 HydrophobicContact CE1-CG1 3.87Å; F157-I191 HydrophobicContact CE1-CG2 4.47Å; F157-I191 HydrophobicContact CE2-CG1 4Å; F157-I191 HydrophobicContact CG-CG1 3.93Å; F157-I191 HydrophobicContact CZ-CB 4.33Å; F157-I191 HydrophobicContact CZ-CG1 3.94Å; F157-I191 HydrophobicContact CZ-CG2 4.2Å; R169-I191 HydrophobicContact CG-CD1 3.95Å; R169-I191 VanDerWaalsContact NH1-CG2 3.28Å; L172-I191 HydrophobicContact CD2-CD1 4.08Å; L172-I191 HydrophobicContact CD2-CG1 4.36Å; C189-I191 PolarHBondContact O-N 3.17Å; I191-S194 PolarHBondContact O-N 2.97Å; I191-L211 HydrophobicContact CD1-CD2 3.56Å; I191-H215 HydrophobicContact CD1-CB 4.16Å; I191-H215 VanDerWaalsContact CG2-CE1 3.46Å; I191-H215 WeakPolarHBondContact CG2-CE1 3.25Å; I191-H215 WeakPolarHBondContact CG2-ND1 3.25Å
192C87.6Confident82Confident32 Ų3275.3 Ų75.322%0.21642%0.416CS..Hα-helixtrans-63.2-42.6176.8-72.10000112.1C189 S194 L195 G198 H210 H215C189-C192 HydrophobicContact CB-CB 3.96Å; C189-C192 PolarHBondContact O-N 2.75Å; C192-S194 VanDerWaalsContact C-N 3.26Å; C192-S194 PolarHBondContact O-N 3.31Å; C192-L195 WeakPolarHBondContact O-CB 3.46Å; C192-L195 PolarHBondContact O-N 3.44Å; C192-G198 WeakPolarHBondContact O-CA 3.44Å; C192-H210 VanDerWaalsContact SG-CE1 3.51Å; C192-H210 PolarHBondContact SG-NE2 3.08Å; C192-H215 PolarHBondContact SG-NE2 3Å
193V87.1Confident82.5Confident57 Ų5771.3 Ų71.335%0.34540%0.402SS..Hα-helixtrans-69.5-25.7-178.5178.20000112.2T188 C189 L195 P200T188-V193 HydrophobicContact CG2-CG2 3.4Å; C189-V193 WeakPolarHBondContact O-CG2 3.46Å; C189-V193 PolarHBondContact O-N 3.07Å; V193-L195 PolarHBondContact O-N 3.37Å; V193-P200 HydrophobicContact CG1-CG 4.33Å
194S84.1Confident83Confident78 Ų7868.9 Ų68.955%0.54539%0.392SS..THydrogen-bonded Turntrans-73.6-6.5174.4-62.70000114.3F157 P190 I191 C192F157-S194 WeakPolarHBondContact CE1-OG 3.42Å; P190-S194 PolarHBondContact O-N 3.41Å; P190-S194 PolarHBondContact O-OG 3.44Å; I191-S194 PolarHBondContact O-N 2.97Å; C192-S194 VanDerWaalsContact C-N 3.26Å; C192-S194 PolarHBondContact O-N 3.31Å
195L80.8Confident83.4Confident64 Ų6470.8 Ų70.834%0.33539%0.391SS..SBendtrans-83.7146.3175-64.9168.3000110.8C192 V193 W197 G198C192-L195 WeakPolarHBondContact O-CB 3.46Å; C192-L195 PolarHBondContact O-N 3.44Å; V193-L195 PolarHBondContact O-N 3.37Å; L195-W197 HydrophobicContact CD2-CZ2 4.3Å; L195-W197 PolarHBondContact O-N 3.39Å; L195-G198 PolarHBondContact O-N 3.25Å
196P72.4Confident83.9Confident116 Ų11669.9 Ų69.975%0.75339%0.385SS*.THydrogen-bonded Turntrans-59.1-24.3179-22.331.8000114.1
197W74.2Confident84.2Confident207 Ų20765.8 Ų65.878%0.78436%0.358SS*.THydrogen-bonded Turntrans-106.614.5176.848.781.1000112.8L195L195-W197 HydrophobicContact CD2-CZ2 4.3Å; L195-W197 PolarHBondContact O-N 3.39Å
198G75.9Confident84.2Confident24 Ų2465.2 Ų65.225%0.24735%0.354CS..  trans-73.3133.2176.300000112.2C192 L195 P200C192-G198 WeakPolarHBondContact O-CA 3.44Å; L195-G198 PolarHBondContact O-N 3.25Å; G198-P200 WeakPolarHBondContact O-CD 3.42Å
199D76.9Confident84.1Confident67 Ų6764.9 Ų64.936%0.35835%0.354SS..  trans-99.1114176172.94.9000110.3S201 Q202D199-S201 PolarHBondContact O-N 3.22Å; D199-S201 VanDerWaalsContact O-N 3.16Å; D199-S201 WeakPolarHBondContact OD1-CB 3.24Å; D199-S201 PolarHBondContact OD1-N 3.01Å; D199-S201 PolarHBondContact OD1-OG 3.23Å; D199-S201 PolarHBondContact OD2-OG 2.91Å; D199-S201 VanDerWaalsContact OD2-OG 3.09Å; D199-Q202 HydrophobicContact CB-CG 3.64Å; D199-Q202 WeakPolarHBondContact O-CB 3.48Å; D199-Q202 PolarHBondContact O-N 3.07Å; D199-Q202 VanDerWaalsContact O-N 3.12Å; D199-Q202 WeakPolarHBondContact OD2-CG 3.46Å; D199-Q202 PolarHBondContact OD2-NE2 3.02Å; D199-Q202 VanDerWaalsContact OD2-NE2 3.13Å
200P83.8Confident84.1Confident86 Ų8666 Ų6656%0.55836%0.359SS*.THydrogen-bonded Turntrans-60.9-21179.8-23.234000114.7T188 V193 G198 Q202T188-P200 WeakPolarHBondContact CG2-O 3.34Å; V193-P200 HydrophobicContact CG1-CG 4.33Å; G198-P200 WeakPolarHBondContact O-CD 3.42Å; P200-Q202 VanDerWaalsContact C-N 3.29Å
201S85.6Confident84.1Confident84 Ų8464.6 Ų64.659%0.58735%0.35SS*.THydrogen-bonded Turntrans-81.7-7.4179.3750000113.4D199 I203D199-S201 PolarHBondContact O-N 3.22Å; D199-S201 VanDerWaalsContact O-N 3.16Å; D199-S201 WeakPolarHBondContact OD1-CB 3.24Å; D199-S201 PolarHBondContact OD1-N 3.01Å; D199-S201 PolarHBondContact OD1-OG 3.23Å; D199-S201 PolarHBondContact OD2-OG 2.91Å; D199-S201 VanDerWaalsContact OD2-OG 3.09Å; S201-I203 PolarHBondContact O-N 3.3Å; S201-I203 VanDerWaalsContact O-N 3.13Å
202Q82.9Confident84.1Confident118 Ų11866.7 Ų66.755%0.55136%0.361SS*.  trans-76.4103.3-179-66-65.9-8.600111.8D199 P200D199-Q202 HydrophobicContact CB-CG 3.64Å; D199-Q202 WeakPolarHBondContact O-CB 3.48Å; D199-Q202 PolarHBondContact O-N 3.07Å; D199-Q202 VanDerWaalsContact O-N 3.12Å; D199-Q202 WeakPolarHBondContact OD2-CG 3.46Å; D199-Q202 PolarHBondContact OD2-NE2 3.02Å; D199-Q202 VanDerWaalsContact OD2-NE2 3.13Å; P200-Q202 VanDerWaalsContact C-N 3.29Å
203I86.6Confident84.1Confident104 Ų10471.8 Ų71.853%0.53338%0.382SS..EExtended strand (participates in β ladder)trans-96126.5178.9-60168.2000109.6P186 S201P186-I203 HydrophobicContact CB-CG2 3.53Å; S201-I203 PolarHBondContact O-N 3.3Å; S201-I203 VanDerWaalsContact O-N 3.13Å
204T85.8Confident84Confident26 Ų2677.3 Ų77.316%0.1640%0.396CS..EExtended strand (participates in β ladder)trans-97.3127.1173.9-65.10000110P186 V187 N206 H210P186-T204 WeakPolarHBondContact CA-O 3.38Å; V187-T204 PolarHBondContact N-O 3.22Å; V187-T204 PolarHBondContact O-N 2.83Å; T204-N206 WeakPolarHBondContact CG2-O 3.02Å; T204-H210 HydrophobicContact CG2-CB 3.32Å; T204-H210 PolarHBondContact OG1-ND1 3.18Å
205R85.4Confident84.1Confident162 Ų16273.9 Ų73.961%0.61137%0.372SS*.SBendtrans-72.2-32.6178.6-63.3-176.1-178.4-171.7-0.2114I184I184-R205 VanDerWaalsContact CG2-O 3.24Å; I184-R205 WeakPolarHBondContact CG2-O 3.3Å
206N87.3Confident84.2Confident50 Ų5075.5 Ų75.527%0.26738%0.378SS..  trans-126.997.7175.3-177.6-31.2000109.2T204 V208 S209 H210T204-N206 WeakPolarHBondContact CG2-O 3.02Å; N206-V208 PolarHBondContact OD1-N 2.91Å; N206-S209 VanDerWaalsContact CG-CB 3.48Å; N206-S209 WeakPolarHBondContact OD1-CB 3.16Å; N206-S209 PolarHBondContact OD1-N 3.43Å; N206-H210 PolarHBondContact O-N 3.2Å; N206-H210 VanDerWaalsContact O-N 3.12Å
207F88.3Confident84.1Confident0 Ų076.1 Ų76.10%037%0.369CS..Hα-helixtrans-61.8-44.5-175.4-174.7-124000112.8P160 L161 L172 C176 V187 C189 P190 S209 H210 L211P160-F207 HydrophobicContact CG-CD1 3.79Å; P160-F207 HydrophobicContact CG-CD2 4.19Å; P160-F207 HydrophobicContact CG-CE1 3.52Å; P160-F207 HydrophobicContact CG-CE2 3.98Å; P160-F207 HydrophobicContact CG-CG 4.11Å; P160-F207 HydrophobicContact CG-CZ 3.63Å; L161-F207 HydrophobicContact CD1-CB 4.38Å; L161-F207 HydrophobicContact CD1-CD1 4.01Å; L161-F207 HydrophobicContact CG-CD1 4.18Å; L172-F207 HydrophobicContact CD2-CZ 4.2Å; C176-F207 VanDerWaalsContact SG-CE1 3.57Å; V187-F207 HydrophobicContact CG2-CB 3.56Å; V187-F207 HydrophobicContact CG2-CD2 3.72Å; V187-F207 HydrophobicContact CG2-CG 3.67Å; C189-F207 HydrophobicContact CB-CE2 4.03Å; P190-F207 HydrophobicContact CG-CZ 4.38Å; F207-S209 PolarHBondContact O-N 3.34Å; F207-H210 WeakPolarHBondContact O-CB 3.36Å; F207-H210 PolarHBondContact O-N 3.37Å; F207-L211 HydrophobicContact CD1-CD1 4.06Å; F207-L211 HydrophobicContact CD1-CG 4.48Å; F207-L211 HydrophobicContact CD2-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.54Å; F207-L211 HydrophobicContact CE1-CG 4.13Å; F207-L211 HydrophobicContact CE2-CD1 4.27Å; F207-L211 HydrophobicContact CE2-CD2 3.87Å; F207-L211 HydrophobicContact CE2-CG 3.96Å; F207-L211 HydrophobicContact CZ-CD1 3.65Å; F207-L211 HydrophobicContact CZ-CD2 3.8Å; F207-L211 HydrophobicContact CZ-CG 3.85Å; F207-L211 WeakPolarHBondContact O-CG 3.39Å; F207-L211 PolarHBondContact O-N 3.02Å
208V88.3Confident83.8Confident5 Ų568.8 Ų68.83%0.0335%0.345CS..Hα-helixtrans-62.7-46.3-178-173.20000111.1L161 C176 N177 H180 N206 H210 L211 N212L161-V208 HydrophobicContact CD1-CG2 4.5Å; C176-V208 HydrophobicContact CB-CG2 4.16Å; N177-V208 WeakPolarHBondContact OD1-CG1 3.4Å; H180-V208 HydrophobicContact CB-CG2 4.09Å; H180-V208 WeakPolarHBondContact O-CG2 3.49Å; N206-V208 PolarHBondContact OD1-N 2.91Å; V208-H210 VanDerWaalsContact C-N 3.32Å; V208-H210 PolarHBondContact O-N 3.14Å; V208-L211 PolarHBondContact O-N 3.35Å; V208-N212 PolarHBondContact O-N 2.81Å; V208-N212 PolarHBondContact O-ND2 2.76Å; V208-N212 VanDerWaalsContact O-ND2 3.17Å
209S87.1Confident82.9Confident45 Ų4576.6 Ų76.632%0.31537%0.368SS..Hα-helixtrans-62.2-40.2177-174.20000112.1N206 F207 N212 Q213N206-S209 VanDerWaalsContact CG-CB 3.48Å; N206-S209 WeakPolarHBondContact OD1-CB 3.16Å; N206-S209 PolarHBondContact OD1-N 3.43Å; F207-S209 PolarHBondContact O-N 3.34Å; S209-N212 PolarHBondContact O-N 3.43Å; S209-Q213 WeakPolarHBondContact O-CB 3.33Å; S209-Q213 VanDerWaalsContact O-CG 3.26Å; S209-Q213 WeakPolarHBondContact O-CG 3.49Å; S209-Q213 PolarHBondContact O-N 3.47Å; S209-Q213 PolarHBondContact OG-NE2 3.28Å
210H90.8Very high82.2Confident25 Ų2575.8 Ų75.812%0.11638%0.376CS..Hα-helixtrans-64.3-44.8175.6167.296.2000112.9C189 C192 T204 N206 F207 V208 N212 Q213 R214 H215C189-H210 WeakPolarHBondContact CB-NE2 3.5Å; C189-H210 PolarHBondContact SG-NE2 3.26Å; C192-H210 VanDerWaalsContact SG-CE1 3.51Å; C192-H210 PolarHBondContact SG-NE2 3.08Å; T204-H210 HydrophobicContact CG2-CB 3.32Å; T204-H210 PolarHBondContact OG1-ND1 3.18Å; N206-H210 PolarHBondContact O-N 3.2Å; N206-H210 VanDerWaalsContact O-N 3.12Å; F207-H210 WeakPolarHBondContact O-CB 3.36Å; F207-H210 PolarHBondContact O-N 3.37Å; V208-H210 VanDerWaalsContact C-N 3.32Å; V208-H210 PolarHBondContact O-N 3.14Å; H210-N212 VanDerWaalsContact C-N 3.3Å; H210-N212 PolarHBondContact O-N 2.92Å; H210-Q213 PolarHBondContact O-N 2.76Å; H210-Q213 VanDerWaalsContact O-N 3.14Å; H210-R214 WeakPolarHBondContact O-CB 3.49Å; H210-R214 PolarHBondContact O-N 2.86Å; H210-H215 AromaticContact CD2-CD2 3.87Å; H210-H215 AromaticContact NE2-CD2 3.57Å; H210-H215 AromaticContact NE2-NE2 3.33Å; H210-H215 PolarHBondContact NE2-NE2 3.5Å
211L88.4Confident81Confident1 Ų178.8 Ų78.81%0.00538%0.382CS..Hα-helixtrans-56.8-46.2175.4-71.7-176.7000110.7L172 L173 C176 I191 F207 V208 Q213 H215 Q216L172-L211 HydrophobicContact CG-CD1 4.31Å; L173-L211 HydrophobicContact CD1-CB 4.26Å; L173-L211 HydrophobicContact CG-CB 4.39Å; C176-L211 HydrophobicContact CB-CD1 3.91Å; I191-L211 HydrophobicContact CD1-CD2 3.56Å; F207-L211 HydrophobicContact CD1-CD1 4.06Å; F207-L211 HydrophobicContact CD1-CG 4.48Å; F207-L211 HydrophobicContact CD2-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.54Å; F207-L211 HydrophobicContact CE1-CG 4.13Å; F207-L211 HydrophobicContact CE2-CD1 4.27Å; F207-L211 HydrophobicContact CE2-CD2 3.87Å; F207-L211 HydrophobicContact CE2-CG 3.96Å; F207-L211 HydrophobicContact CZ-CD1 3.65Å; F207-L211 HydrophobicContact CZ-CD2 3.8Å; F207-L211 HydrophobicContact CZ-CG 3.85Å; F207-L211 WeakPolarHBondContact O-CG 3.39Å; F207-L211 PolarHBondContact O-N 3.02Å; V208-L211 PolarHBondContact O-N 3.35Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 3.28Å; L211-H215 HydrophobicContact CD2-CB 4.24Å; L211-H215 CarbonylContact O-C 3.5Å; L211-H215 VanDerWaalsContact O-C 3.32Å; L211-H215 WeakPolarHBondContact O-CA 3.37Å; L211-H215 WeakPolarHBondContact O-CB 3.26Å; L211-H215 PolarHBondContact O-N 3.33Å; L211-Q216 PolarHBondContact O-N 2.91Å; L211-Q216 VanDerWaalsContact O-N 3.1Å
212N87.6Confident79.8Confident49 Ų4981.8 Ų81.826%0.26239%0.385SS..Hα-helixtrans-65.8-30.4178-70.2-38.2000113.3N177 V208 S209 H210 Q216N177-N212 PolarHBondContact ND2-OD1 2.68Å; N177-N212 PolarHBondContact OD1-ND2 3.03Å; V208-N212 PolarHBondContact O-N 2.81Å; V208-N212 PolarHBondContact O-ND2 2.76Å; V208-N212 VanDerWaalsContact O-ND2 3.17Å; S209-N212 PolarHBondContact O-N 3.43Å; H210-N212 VanDerWaalsContact C-N 3.3Å; H210-N212 PolarHBondContact O-N 2.92Å; N212-Q216 VanDerWaalsContact O-CB 3.26Å; N212-Q216 WeakPolarHBondContact O-CB 3.44Å; N212-Q216 PolarHBondContact O-OE1 3.09Å
213Q86.4Confident78.7Confident139 Ų13978 Ų7865%0.6537%0.37SS*.Hα-helixtrans-84.8-32.8-179.6-72.5174.333.300113.9S209 H210 L211S209-Q213 WeakPolarHBondContact O-CB 3.33Å; S209-Q213 VanDerWaalsContact O-CG 3.26Å; S209-Q213 WeakPolarHBondContact O-CG 3.49Å; S209-Q213 PolarHBondContact O-N 3.47Å; S209-Q213 PolarHBondContact OG-NE2 3.28Å; H210-Q213 PolarHBondContact O-N 2.76Å; H210-Q213 VanDerWaalsContact O-N 3.14Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 3.28Å
214R85.4Confident77.7Confident173 Ų17376.6 Ų76.665%0.65336%0.363SS*.Hα-helixtrans-115.6-21.1-169.2-60.9-60.1-179.691.6-1.4113.6R169 H210R169-R214 PolarHBondContact NH2-O 3.1Å; H210-R214 WeakPolarHBondContact O-CB 3.49Å; H210-R214 PolarHBondContact O-N 2.86Å
215H86Confident76.7Confident7 Ų782.5 Ų82.53%0.03239%0.393CS..THydrogen-bonded Turntrans-125.93.2-170.4-58.9-58.9000115.4R169 I191 C192 H210 L211 F217R169-H215 PolarHBondContact NE-O 2.85Å; R169-H215 VanDerWaalsContact NE-O 3.09Å; R169-H215 PolarHBondContact NH1-ND1 3.42Å; R169-H215 VanDerWaalsContact NH2-CA 3.33Å; R169-H215 PolarHBondContact NH2-ND1 3.49Å; I191-H215 HydrophobicContact CD1-CB 4.16Å; I191-H215 VanDerWaalsContact CG2-CE1 3.46Å; I191-H215 WeakPolarHBondContact CG2-CE1 3.25Å; I191-H215 WeakPolarHBondContact CG2-ND1 3.25Å; C192-H215 PolarHBondContact SG-NE2 3Å; H210-H215 AromaticContact CD2-CD2 3.87Å; H210-H215 AromaticContact NE2-CD2 3.57Å; H210-H215 AromaticContact NE2-NE2 3.33Å; H210-H215 PolarHBondContact NE2-NE2 3.5Å; L211-H215 HydrophobicContact CD2-CB 4.24Å; L211-H215 CarbonylContact O-C 3.5Å; L211-H215 VanDerWaalsContact O-C 3.32Å; L211-H215 WeakPolarHBondContact O-CA 3.37Å; L211-H215 WeakPolarHBondContact O-CB 3.26Å; L211-H215 PolarHBondContact O-N 3.33Å; H215-F217 PolarHBondContact O-N 3.13Å
216Q82.6Confident75.8Confident97 Ų9783.1 Ų83.145%0.45340%0.403SS..SBendtrans-59.5-29.1176.8-178.5174.430.900113.9L173 L211 N212L173-Q216 HydrophobicContact CD1-CB 4.3Å; L211-Q216 PolarHBondContact O-N 2.91Å; L211-Q216 VanDerWaalsContact O-N 3.1Å; N212-Q216 VanDerWaalsContact O-CB 3.26Å; N212-Q216 WeakPolarHBondContact O-CB 3.44Å; N212-Q216 PolarHBondContact O-OE1 3.09Å
217F70.2Confident75Confident130 Ų13084.2 Ų84.257%0.5741%0.408SS*.  trans-112.3136.7-179.7-56.4-78.1000110.1R169 H215R169-F217 PolarHBondContact NH2-O 3.42Å; H215-F217 PolarHBondContact O-N 3.13Å
218D67.9Low74.5Confident53 Ų5388.5 Ų88.528%0.28343%0.431SS..  trans-102.4116.2167.1-168.33.1000109.3G220 E221 F222D218-G220 PolarHBondContact O-N 2.73Å; D218-G220 PolarHBondContact OD1-N 2.97Å; D218-E221 PolarHBondContact O-N 2.95Å; D218-F222 VanDerWaalsContact O-CD2 3.28Å; D218-F222 WeakPolarHBondContact O-CD2 3.25Å
219Y58.3Low74Confident188 Ų18896.1 Ų96.174%0.73747%0.467SS*.Hα-helixtrans-64.6-27.1179.8-102.1-93.8000112E221 F222 V223Y219-E221 PolarHBondContact O-N 2.98Å; Y219-F222 PolarHBondContact O-N 3.18Å; Y219-V223 HydrophobicContact CD1-CG2 4Å; Y219-V223 WeakPolarHBondContact O-CB 3.4Å; Y219-V223 PolarHBondContact O-N 2.8Å
220G60.6Low73.8Confident50 Ų50100 Ų10052%0.51548%0.48SS..Hα-helixtrans-69.4-16.5178.700000114.3D218D218-G220 PolarHBondContact O-N 2.73Å; D218-G220 PolarHBondContact OD1-N 2.97Å
221E60.3Low73.5Confident148 Ų148101.7 Ų101.769%0.69249%0.492SS*.Hα-helixtrans-82.2-29.7176.1-163.8177.3-17400111.9D218 Y219D218-E221 PolarHBondContact O-N 2.95Å; Y219-E221 PolarHBondContact O-N 2.98Å
222F58.6Low73.2Confident147 Ų147104.1 Ų104.165%0.64550%0.503SS*.Hα-helixtrans-104.4-17-176.4-58.7-77.7000113.7D218 Y219D218-F222 VanDerWaalsContact O-CD2 3.28Å; D218-F222 WeakPolarHBondContact O-CD2 3.25Å; Y219-F222 PolarHBondContact O-N 3.18Å
223V59.8Low73Confident39 Ų39109 Ų10924%0.23652%0.519CS..  trans-129.1106.5-177.2-175.20000108.4Y219 L225Y219-V223 HydrophobicContact CD1-CG2 4Å; Y219-V223 WeakPolarHBondContact O-CB 3.4Å; Y219-V223 PolarHBondContact O-N 2.8Å; V223-L225 HydrophobicContact CG1-CD2 4.1Å; V223-L225 PolarHBondContact O-N 3.42Å; V223-L225 VanDerWaalsContact O-N 3.11Å
224N66.8Low72.9Confident74 Ų74106.6 Ų106.640%0.39651%0.508SS..  trans-76.997173.1-176.5-21.4000109.2Q226 L227 Q232N224-Q226 PolarHBondContact O-N 3.24Å; N224-Q226 WeakPolarHBondContact OD1-CB 3.47Å; N224-Q226 PolarHBondContact OD1-N 3.49Å; N224-Q226 PolarHBondContact OD1-OE1 2.87Å; N224-Q226 VanDerWaalsContact OD1-OE1 3.08Å; N224-L227 HydrophobicContact CB-CB 4.5Å; N224-L227 HydrophobicContact CB-CD1 3.89Å; N224-L227 HydrophobicContact CB-CG 4.07Å; N224-L227 WeakPolarHBondContact O-CB 3.39Å; N224-L227 PolarHBondContact O-N 2.87Å; N224-Q232 PolarHBondContact O-NE2 3.33Å
225L63.9Low72.7Confident150 Ų150101 Ų10179%0.78549%0.493SS*.THydrogen-bonded Turntrans-62-10.5-177.6-62.4172.8000114.3V223V223-L225 HydrophobicContact CG1-CD2 4.1Å; V223-L225 PolarHBondContact O-N 3.42Å; V223-L225 VanDerWaalsContact O-N 3.11Å
226Q68.3Low72.6Confident176 Ų176103.4 Ų103.482%0.82251%0.514SS*.THydrogen-bonded Turntrans-83-13.9170.4-74.897.7-11.900113.8N224N224-Q226 PolarHBondContact O-N 3.24Å; N224-Q226 WeakPolarHBondContact OD1-CB 3.47Å; N224-Q226 PolarHBondContact OD1-N 3.49Å; N224-Q226 PolarHBondContact OD1-OE1 2.87Å; N224-Q226 VanDerWaalsContact OD1-OE1 3.08Å
227L68.7Low72.7Confident72 Ų72100.8 Ų100.838%0.37751%0.505SS..SBendtrans-92.4141.9175.8-63.4176.9000110.3N224 T231 Q232N224-L227 HydrophobicContact CB-CB 4.5Å; N224-L227 HydrophobicContact CB-CD1 3.89Å; N224-L227 HydrophobicContact CB-CG 4.07Å; N224-L227 WeakPolarHBondContact O-CB 3.39Å; N224-L227 PolarHBondContact O-N 2.87Å; L227-T231 HydrophobicContact CD1-CG2 4.47Å; L227-T231 HydrophobicContact CD2-CG2 4.16Å; L227-Q232 HydrophobicContact CB-CG 3.81Å; L227-Q232 PolarHBondContact O-NE2 2.85Å
228D79.6Confident73.4Confident90 Ų9099.5 Ų99.548%0.48150%0.5SS..  trans-70.9159.6171.376.499.8000111.1E230 T231 Q232D228-E230 VanDerWaalsContact C-N 3.28Å; D228-E230 PolarHBondContact O-N 3.43Å; D228-E230 VanDerWaalsContact OD1-CB 3.24Å; D228-E230 WeakPolarHBondContact OD1-CB 3.49Å; D228-E230 PolarHBondContact OD1-N 2.92Å; D228-E230 VanDerWaalsContact OD1-N 3.1Å; D228-T231 PolarHBondContact O-N 2.97Å; D228-T231 PolarHBondContact OD1-N 3.08Å; D228-T231 VanDerWaalsContact OD2-CB 3.26Å; D228-T231 WeakPolarHBondContact OD2-CB 3.38Å; D228-T231 PolarHBondContact OD2-OG1 2.76Å; D228-Q232 WeakPolarHBondContact O-CG 3.23Å; D228-Q232 PolarHBondContact O-N 3.04Å
229E77.4Confident74.1Confident166 Ų166102.7 Ų102.778%0.77651%0.513SS*.Hα-helixtrans-58.9-36.6-173.8-172.4178.817300112.9Q232 Y233E229-Q232 PolarHBondContact O-N 3.35Å; E229-Y233 WeakPolarHBondContact O-CB 3.47Å; E229-Y233 PolarHBondContact O-N 3.2Å
230E83.1Confident75.1Confident127 Ų12797.4 Ų97.459%0.59350%0.504SS*.Hα-helixtrans-67.7-43.3-179.9-172.467-148.300110.5D228 Q232 Y233 Q234D228-E230 VanDerWaalsContact C-N 3.28Å; D228-E230 PolarHBondContact O-N 3.43Å; D228-E230 VanDerWaalsContact OD1-CB 3.24Å; D228-E230 WeakPolarHBondContact OD1-CB 3.49Å; D228-E230 PolarHBondContact OD1-N 2.92Å; D228-E230 VanDerWaalsContact OD1-N 3.1Å; E230-Q232 PolarHBondContact O-N 3.36Å; E230-Y233 PolarHBondContact O-N 3.14Å; E230-Q234 WeakPolarHBondContact O-CB 3.44Å; E230-Q234 PolarHBondContact O-N 3.23Å
231T83.3Confident75.9Confident59 Ų59102.2 Ų102.236%0.36251%0.511SS..Hα-helixtrans-66.1-38.6177.9-58.60000111.9L227 D228 T235L227-T231 HydrophobicContact CD1-CG2 4.47Å; L227-T231 HydrophobicContact CD2-CG2 4.16Å; D228-T231 PolarHBondContact O-N 2.97Å; D228-T231 PolarHBondContact OD1-N 3.08Å; D228-T231 VanDerWaalsContact OD2-CB 3.26Å; D228-T231 WeakPolarHBondContact OD2-CB 3.38Å; D228-T231 PolarHBondContact OD2-OG1 2.76Å; T231-T235 WeakPolarHBondContact O-CB 3.48Å; T231-T235 PolarHBondContact O-N 3.01Å; T231-T235 VanDerWaalsContact O-N 3.07Å; T231-T235 PolarHBondContact O-OG1 2.96Å
232Q82.3Confident76.2Confident53 Ų53102 Ų10225%0.24851%0.51CS..Hα-helixtrans-64.5-43.3174.6-70-179.9-2.400111.9N224 L227 D228 E229 E230 T235 A236N224-Q232 PolarHBondContact O-NE2 3.33Å; L227-Q232 HydrophobicContact CB-CG 3.81Å; L227-Q232 PolarHBondContact O-NE2 2.85Å; D228-Q232 WeakPolarHBondContact O-CG 3.23Å; D228-Q232 PolarHBondContact O-N 3.04Å; E229-Q232 PolarHBondContact O-N 3.35Å; E230-Q232 PolarHBondContact O-N 3.36Å; Q232-T235 PolarHBondContact O-N 3.41Å; Q232-A236 WeakPolarHBondContact O-CB 3.27Å; Q232-A236 PolarHBondContact O-N 3.05Å
233Y83.8Confident76.2Confident152 Ų152100.9 Ų100.960%0.59652%0.515SS*.Hα-helixtrans-61.1-47.8177.2177.7-101.6000111.5E229 E230 T235 A236 V237E229-Y233 WeakPolarHBondContact O-CB 3.47Å; E229-Y233 PolarHBondContact O-N 3.2Å; E230-Y233 PolarHBondContact O-N 3.14Å; Y233-T235 VanDerWaalsContact C-N 3.34Å; Y233-T235 PolarHBondContact O-N 2.86Å; Y233-A236 PolarHBondContact O-N 3.3Å; Y233-V237 HydrophobicContact CD1-CG2 4.34Å; Y233-V237 HydrophobicContact CE1-CG2 3.94Å; Y233-V237 HydrophobicContact CE2-CG2 4.21Å; Y233-V237 WeakPolarHBondContact O-CG2 3.46Å; Y233-V237 PolarHBondContact O-N 3.29Å
234Q83.9Confident75.9Confident87 Ų87105.8 Ų105.841%0.40754%0.54SS..Hα-helixtrans-62.8-41.2-179-16960.530.800112E230 V237 E238E230-Q234 WeakPolarHBondContact O-CB 3.44Å; E230-Q234 PolarHBondContact O-N 3.23Å; Q234-V237 PolarHBondContact O-N 3.4Å; Q234-E238 PolarHBondContact O-N 3.18Å
235T82.1Confident74.9Confident57 Ų57112.6 Ų112.635%0.3557%0.574SS.*Hα-helixtrans-62.3-46.1176.4-54.40000111.2T231 Q232 Y233 V237 E238 E239T231-T235 WeakPolarHBondContact O-CB 3.48Å; T231-T235 PolarHBondContact O-N 3.01Å; T231-T235 VanDerWaalsContact O-N 3.07Å; T231-T235 PolarHBondContact O-OG1 2.96Å; Q232-T235 PolarHBondContact O-N 3.41Å; Y233-T235 VanDerWaalsContact C-N 3.34Å; Y233-T235 PolarHBondContact O-N 2.86Å; T235-V237 VanDerWaalsContact C-N 3.31Å; T235-V237 PolarHBondContact O-N 3.5Å; T235-E238 PolarHBondContact O-N 2.9Å; T235-E239 HydrophobicContact CG2-CG 4.43Å; T235-E239 WeakPolarHBondContact O-CG 3.4Å; T235-E239 PolarHBondContact O-N 3.08Å
236A83.1Confident75.4Confident56 Ų56110.7 Ų110.746%0.46356%0.563SS.*Hα-helixtrans-62.9-37.1178.700000112.4Q232 Y233 S240Q232-A236 WeakPolarHBondContact O-CB 3.27Å; Q232-A236 PolarHBondContact O-N 3.05Å; Y233-A236 PolarHBondContact O-N 3.3Å; A236-S240 WeakPolarHBondContact O-CB 3.42Å; A236-S240 PolarHBondContact O-N 3.16Å
237V85.6Confident75.8Confident43 Ų43107.3 Ų107.326%0.26155%0.55SS..Hα-helixtrans-63.9-48.1174.7172.10000110.4Y233 Q234 T235 S240 F241Y233-V237 HydrophobicContact CD1-CG2 4.34Å; Y233-V237 HydrophobicContact CE1-CG2 3.94Å; Y233-V237 HydrophobicContact CE2-CG2 4.21Å; Y233-V237 WeakPolarHBondContact O-CG2 3.46Å; Y233-V237 PolarHBondContact O-N 3.29Å; Q234-V237 PolarHBondContact O-N 3.4Å; T235-V237 VanDerWaalsContact C-N 3.31Å; T235-V237 PolarHBondContact O-N 3.5Å; V237-S240 WeakPolarHBondContact O-CB 3.49Å; V237-S240 PolarHBondContact O-N 2.93Å; V237-F241 HydrophobicContact CG1-CD2 3.95Å; V237-F241 HydrophobicContact CG1-CE2 3.69Å; V237-F241 WeakPolarHBondContact O-CD2 3.42Å; V237-F241 PolarHBondContact O-N 2.95Å; V237-F241 VanDerWaalsContact O-N 3.16Å
238E83.6Confident76.2Confident103 Ų103109.2 Ų109.248%0.48156%0.559SS.*Hα-helixtrans-63.5-43.2179.6-75.7177.8-16900113.1Q234 T235 S240 F241 Q242Q234-E238 PolarHBondContact O-N 3.18Å; T235-E238 PolarHBondContact O-N 2.9Å; E238-S240 VanDerWaalsContact C-N 3.31Å; E238-S240 PolarHBondContact O-N 3.01Å; E238-F241 WeakPolarHBondContact O-CB 3.41Å; E238-F241 PolarHBondContact O-N 3.16Å; E238-F241 VanDerWaalsContact O-N 3.11Å; E238-Q242 PolarHBondContact O-N 2.91Å; E238-Q242 VanDerWaalsContact O-N 3.16Å
239E82.3Confident76Confident119 Ų119110.4 Ų110.456%0.55656%0.564SS**Hα-helixtrans-62.8-39.2174.9-72.7-177.9168.900111.4T235 F241 Q242 V243T235-E239 HydrophobicContact CG2-CG 4.43Å; T235-E239 WeakPolarHBondContact O-CG 3.4Å; T235-E239 PolarHBondContact O-N 3.08Å; E239-F241 PolarHBondContact O-N 2.86Å; E239-Q242 PolarHBondContact O-N 3.18Å; E239-Q242 VanDerWaalsContact O-N 3.15Å; E239-V243 WeakPolarHBondContact O-CG2 3.44Å; E239-V243 PolarHBondContact O-N 3.44Å
240S80.3Confident75.9Confident78 Ų78106.9 Ų106.955%0.54555%0.551SS.*Hα-helixtrans-63.4-26.8174.7-174.60000113A236 V237 E238A236-S240 WeakPolarHBondContact O-CB 3.42Å; A236-S240 PolarHBondContact O-N 3.16Å; V237-S240 WeakPolarHBondContact O-CB 3.49Å; V237-S240 PolarHBondContact O-N 2.93Å; E238-S240 VanDerWaalsContact C-N 3.31Å; E238-S240 PolarHBondContact O-N 3.01Å
241F77.2Confident75.4Confident150 Ų150105.5 Ų105.566%0.65855%0.548SS*.Hα-helixtrans-77.2-34.3174.2-85-75000112.3V237 E238 E239 V243 N244V237-F241 HydrophobicContact CG1-CD2 3.95Å; V237-F241 HydrophobicContact CG1-CE2 3.69Å; V237-F241 WeakPolarHBondContact O-CD2 3.42Å; V237-F241 PolarHBondContact O-N 2.95Å; V237-F241 VanDerWaalsContact O-N 3.16Å; E238-F241 WeakPolarHBondContact O-CB 3.41Å; E238-F241 PolarHBondContact O-N 3.16Å; E238-F241 VanDerWaalsContact O-N 3.11Å; E239-F241 PolarHBondContact O-N 2.86Å; F241-V243 VanDerWaalsContact C-N 3.34Å; F241-V243 PolarHBondContact O-N 2.8Å; F241-N244 PolarHBondContact O-N 3.18Å
242Q66.4Low74.9Confident143 Ų143108.9 Ų108.967%0.66856%0.561SS**Hα-helixtrans-73-23.6-178.1-71.3177.744.100113.7E238 E239 N244E238-Q242 PolarHBondContact O-N 2.91Å; E238-Q242 VanDerWaalsContact O-N 3.16Å; E239-Q242 PolarHBondContact O-N 3.18Å; E239-Q242 VanDerWaalsContact O-N 3.15Å; Q242-N244 VanDerWaalsContact C-N 3.25Å; Q242-N244 PolarHBondContact O-N 2.97Å
243V59.4Low74.3Confident125 Ų125113.2 Ų113.276%0.75859%0.585SS**THydrogen-bonded Turntrans-78.1-8.7177.4-177.60000112.7E239 F241E239-V243 WeakPolarHBondContact O-CG2 3.44Å; E239-V243 PolarHBondContact O-N 3.44Å; F241-V243 VanDerWaalsContact C-N 3.34Å; F241-V243 PolarHBondContact O-N 2.8Å
244N52.4Low73.5Confident142 Ų142109.9 Ų109.976%0.75958%0.584SS**THydrogen-bonded Turntrans-103.718.8-178.3-88-17.8000114.6F241 Q242F241-N244 PolarHBondContact O-N 3.18Å; Q242-N244 VanDerWaalsContact C-N 3.25Å; Q242-N244 PolarHBondContact O-N 2.97Å
245I46Very low72.6Confident216 Ų216112 Ų112100%1.10860%0.601SS**  trans-115.50173.6-63.1174.9000110.5

Retrieved 245 of 245 residues in 327.7 ms (Link to these results)

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