A0A077YYS2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYS2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 489 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
1M38.5Very low41.2Very low248 Ų248137.7 Ų137.7100%1.22273%0.726SS**  0120.40-68.8170.6173.400107.7
2T36.9Very low41.6Very low127 Ų127134.3 Ų134.378%0.77971%0.708SS**  trans-89.6127.6176.920.50000110.3W4T2-W4 PolarHBondContact O-N 3.04Å
3A34.3Very low42.3Very low107 Ų107130.4 Ų130.488%0.88470%0.695SS**  trans-76.2111.4-176.900000111.3
4W43.1Very low43.4Very low236 Ų236132.7 Ų132.789%0.89470%0.696SS**  trans-89.7143.4168.6-77.452.9000110.1T2T2-W4 PolarHBondContact O-N 3.04Å
5G35Very low44.2Very low66 Ų66128.7 Ų128.768%0.6867%0.668SS**  trans7645.4152.200000118.8
6R36.3Very low45.4Very low254 Ų254133.2 Ų133.296%0.95867%0.674SS**  trans-111.274.6154-76.1-165.1178.7-165.90.9111.1S8R6-S8 PolarHBondContact O-N 3.34Å
7Y43.8Very low46.5Very low170 Ų170129 Ų12967%0.66766%0.664SS**  trans-66.8118.9163.8-66.9-68.5000108.6R15Y7-R15 VanDerWaalsContact CD1-NH2 3.28Å
8S42.8Very low47.2Very low56 Ų56126.7 Ų126.739%0.39266%0.656SS.*  trans-69.8151.9176.575.80000110.8R6 E10 S11R6-S8 PolarHBondContact O-N 3.34Å; S8-E10 WeakPolarHBondContact CB-OE2 3.36Å; S8-E10 PolarHBondContact O-N 3.45Å; S8-E10 VanDerWaalsContact O-N 3.11Å; S8-E10 PolarHBondContact OG-OE2 3.23Å; S8-S11 WeakPolarHBondContact O-CB 3.48Å; S8-S11 PolarHBondContact O-N 2.94Å; S8-S11 PolarHBondContact O-OG 3.13Å
9A44.7Very low47.9Very low76 Ų76125.8 Ų125.863%0.62865%0.649SS**THydrogen-bonded Turntrans-58.6-24.7177.900000112.5S11 L12 P13A9-S11 PolarHBondContact O-N 3.3Å; A9-L12 WeakPolarHBondContact O-CB 3.49Å; A9-L12 PolarHBondContact O-N 3.19Å; A9-L12 VanDerWaalsContact O-N 3.08Å; A9-P13 VanDerWaalsContact O-CD 3.22Å; A9-P13 WeakPolarHBondContact O-CD 3.47Å
10E46.3Very low48.8Very low146 Ų146122.2 Ų122.268%0.68264%0.639SS**THydrogen-bonded Turntrans-64.2-18.7176.4-50.1153.3125.700112.9S8S8-E10 WeakPolarHBondContact CB-OE2 3.36Å; S8-E10 PolarHBondContact O-N 3.45Å; S8-E10 VanDerWaalsContact O-N 3.11Å; S8-E10 PolarHBondContact OG-OE2 3.23Å
11S50.9Low49.6Very low29 Ų29121.7 Ų121.720%0.20364%0.636CS.*Hα-helixtrans-78.6-23.8174.170.40000113.2S8 A9 K14 R15S8-S11 WeakPolarHBondContact O-CB 3.48Å; S8-S11 PolarHBondContact O-N 2.94Å; S8-S11 PolarHBondContact O-OG 3.13Å; A9-S11 PolarHBondContact O-N 3.3Å; S11-K14 PolarHBondContact O-N 3.13Å; S11-R15 WeakPolarHBondContact O-CG 3.38Å; S11-R15 PolarHBondContact O-N 3.42Å
12L46.8Very low50.4Low96 Ų96112.3 Ų112.350%0.50359%0.59SS.*Hα-helixtrans-66.7-42.1-176.8-63.9170.3000113.6A9 K14 R15 R16A9-L12 WeakPolarHBondContact O-CB 3.49Å; A9-L12 PolarHBondContact O-N 3.19Å; A9-L12 VanDerWaalsContact O-N 3.08Å; L12-K14 VanDerWaalsContact C-N 3.31Å; L12-K14 PolarHBondContact O-N 2.93Å; L12-R15 PolarHBondContact O-N 3.46Å; L12-R16 WeakPolarHBondContact O-CG 3.46Å; L12-R16 PolarHBondContact O-N 3.37Å
13P50Low51.9Low84 Ų84110.5 Ų110.555%0.54557%0.572SS.*Hα-helixtrans-59-40.4172.3-25.634.9000112.7A9 R16 A17A9-P13 VanDerWaalsContact O-CD 3.22Å; A9-P13 WeakPolarHBondContact O-CD 3.47Å; P13-R16 PolarHBondContact O-N 3.34Å; P13-A17 WeakPolarHBondContact O-CB 3.07Å; P13-A17 PolarHBondContact O-N 3.17Å
14K58Low53.7Low163 Ų163110.5 Ų110.571%0.70955%0.554SS**Hα-helixtrans-65.2-44.1178.9-63.6-176.7179.7-179.70111.3S11 L12 A17 V18S11-K14 PolarHBondContact O-N 3.13Å; L12-K14 VanDerWaalsContact C-N 3.31Å; L12-K14 PolarHBondContact O-N 2.93Å; K14-A17 PolarHBondContact O-N 3.24Å; K14-V18 WeakPolarHBondContact O-CG2 3.19Å; K14-V18 PolarHBondContact O-N 3.37Å
15R54.7Low54.6Low72 Ų72101.3 Ų101.327%0.27253%0.526SS..Hα-helixtrans-59.9-45173.1-67.9-179.4-170.7-153.213.9112Y7 S11 L12 A17 V18 H19 D70Y7-R15 VanDerWaalsContact CD1-NH2 3.28Å; S11-R15 WeakPolarHBondContact O-CG 3.38Å; S11-R15 PolarHBondContact O-N 3.42Å; L12-R15 PolarHBondContact O-N 3.46Å; R15-A17 PolarHBondContact O-N 2.98Å; R15-V18 PolarHBondContact O-N 3.46Å; R15-H19 WeakPolarHBondContact O-CB 3.39Å; R15-H19 PolarHBondContact O-N 2.99Å; R15-D70 WeakPolarHBondContact CD-OD1 3.22Å; R15-D70 IonicContact CZ-OD1 2.77Å; R15-D70 IonicContact NE-OD1 3.16Å; R15-D70 IonicContact NH1-OD1 2.75Å; R15-D70 PolarHBondContact NH1-OD1 3.47Å
16R64.5Low56Low201 Ų201101.1 Ų101.176%0.75851%0.508SS*.Hα-helixtrans-61.4-40.8176.7-74.4-178178.4-175.80.2112.5L12 P13 A20L12-R16 WeakPolarHBondContact O-CG 3.46Å; L12-R16 PolarHBondContact O-N 3.37Å; P13-R16 PolarHBondContact O-N 3.34Å; R16-A20 VanDerWaalsContact O-CB 3.3Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 2.87Å
17A64.1Low57.5Low62 Ų6298.5 Ų98.551%0.51250%0.499SS..Hα-helixtrans-64.8-45.4176.300000112.2P13 K14 R15 A20 L21P13-A17 WeakPolarHBondContact O-CB 3.07Å; P13-A17 PolarHBondContact O-N 3.17Å; K14-A17 PolarHBondContact O-N 3.24Å; R15-A17 PolarHBondContact O-N 2.98Å; A17-A20 PolarHBondContact O-N 3.16Å; A17-L21 WeakPolarHBondContact O-CB 3.49Å; A17-L21 PolarHBondContact O-N 2.79Å
18V59.1Low58.8Low87 Ų8795.6 Ų95.653%0.52749%0.491SS..Hα-helixtrans-61.1-46.9175.6171.70000111.2K14 R15 A20 L21 M22K14-V18 WeakPolarHBondContact O-CG2 3.19Å; K14-V18 PolarHBondContact O-N 3.37Å; R15-V18 PolarHBondContact O-N 3.46Å; V18-A20 PolarHBondContact O-N 3.28Å; V18-L21 PolarHBondContact O-N 2.9Å; V18-M22 HydrophobicContact CG1-SD 3.99Å; V18-M22 WeakPolarHBondContact O-CB 3.49Å; V18-M22 WeakPolarHBondContact O-CG 3.46Å; V18-M22 PolarHBondContact O-N 3Å
19H61Low59.8Low110 Ų11096.2 Ų96.251%0.50949%0.49SS..Hα-helixtrans-63.5-39.1177.7175.8-99.5000112.6R15 M22 Q23R15-H19 WeakPolarHBondContact O-CB 3.39Å; R15-H19 PolarHBondContact O-N 2.99Å; H19-M22 PolarHBondContact O-N 2.92Å; H19-Q23 PolarHBondContact CE1-NE2 2.85Å; H19-Q23 PolarHBondContact NE2-NE2 3.23Å; H19-Q23 WeakPolarHBondContact O-CG 3.41Å; H19-Q23 PolarHBondContact O-N 2.81Å
20A66.1Low60.4Low54 Ų5496.6 Ų96.645%0.44649%0.486SS..Hα-helixtrans-65-44.317500000112R16 A17 V18 Q23 Q24R16-A20 VanDerWaalsContact O-CB 3.3Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 2.87Å; A17-A20 PolarHBondContact O-N 3.16Å; V18-A20 PolarHBondContact O-N 3.28Å; A20-Q23 PolarHBondContact O-N 2.91Å; A20-Q24 WeakPolarHBondContact O-CB 3.18Å; A20-Q24 PolarHBondContact O-N 3.27Å
21L64.9Low61Low111 Ų11192.7 Ų92.758%0.58148%0.475SS*.Hα-helixtrans-63.6-40.3176.1-173.2149.2000111.4A17 V18 Q24 S25A17-L21 WeakPolarHBondContact O-CB 3.49Å; A17-L21 PolarHBondContact O-N 2.79Å; V18-L21 PolarHBondContact O-N 2.9Å; L21-Q24 WeakPolarHBondContact O-CB 3.42Å; L21-Q24 PolarHBondContact O-N 3.06Å; L21-S25 PolarHBondContact O-N 2.84Å; L21-S25 PolarHBondContact O-OG 2.87Å
22M56Low61.2Low52 Ų5296.2 Ų96.226%0.25649%0.491SS..Hα-helixtrans-62.1-44.1171.6-75.7174.8144.200112.2V18 H19 Q24 S25 I26 F59 M63V18-M22 HydrophobicContact CG1-SD 3.99Å; V18-M22 WeakPolarHBondContact O-CB 3.49Å; V18-M22 WeakPolarHBondContact O-CG 3.46Å; V18-M22 PolarHBondContact O-N 3Å; H19-M22 PolarHBondContact O-N 2.92Å; M22-Q24 PolarHBondContact O-N 2.73Å; M22-S25 PolarHBondContact O-N 2.81Å; M22-I26 WeakPolarHBondContact O-CA 3.36Å; M22-I26 WeakPolarHBondContact O-CG1 3.42Å; M22-I26 PolarHBondContact O-N 3.03Å; M22-F59 HydrophobicContact CE-CE1 4.41Å; M22-F59 HydrophobicContact CE-CE2 3.88Å; M22-F59 HydrophobicContact CE-CZ 3.59Å; M22-M63 HydrophobicContact CE-CG 3.57Å; M22-M63 HydrophobicContact CE-SD 4.06Å; M22-M63 HydrophobicContact SD-CG 4.2Å; M22-M63 HydrophobicContact SD-SD 4.19Å
23Q68.4Low61.5Low88 Ų8894 Ų9441%0.41148%0.477SS..Hα-helixtrans-65.1-27.9174.5-74.6-163-4.200113.2H19 A20 R27H19-Q23 PolarHBondContact CE1-NE2 2.85Å; H19-Q23 PolarHBondContact NE2-NE2 3.23Å; H19-Q23 WeakPolarHBondContact O-CG 3.41Å; H19-Q23 PolarHBondContact O-N 2.81Å; A20-Q23 PolarHBondContact O-N 2.91Å; Q23-R27 WeakPolarHBondContact O-CG 3.38Å; Q23-R27 PolarHBondContact O-N 2.85Å
24Q71.5Confident61.7Low108 Ų10892.2 Ų92.251%0.50547%0.467SS..Hα-helixtrans-71.1-54.3173.6177.5169.2-8.900111A20 L21 M22 I26 R27 E28A20-Q24 WeakPolarHBondContact O-CB 3.18Å; A20-Q24 PolarHBondContact O-N 3.27Å; L21-Q24 WeakPolarHBondContact O-CB 3.42Å; L21-Q24 PolarHBondContact O-N 3.06Å; M22-Q24 PolarHBondContact O-N 2.73Å; Q24-I26 VanDerWaalsContact C-N 3.31Å; Q24-I26 PolarHBondContact O-N 2.7Å; Q24-R27 PolarHBondContact O-N 3.11Å; Q24-E28 VanDerWaalsContact CG-CD 3.46Å; Q24-E28 HydrophobicContact CG-CG 4.22Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.16Å; Q24-E28 PolarHBondContact NE2-OE1 2.68Å; Q24-E28 WeakPolarHBondContact O-CG 3.38Å; Q24-E28 PolarHBondContact O-N 3.09Å
25S62.6Low61.3Low42 Ų4291.4 Ų91.429%0.29447%0.467SS..Hα-helixtrans-61.1-39.4176.8-54.40000112.7L21 M22 E28 N29L21-S25 PolarHBondContact O-N 2.84Å; L21-S25 PolarHBondContact O-OG 2.87Å; M22-S25 PolarHBondContact O-N 2.81Å; S25-E28 PolarHBondContact O-N 2.86Å; S25-N29 PolarHBondContact O-N 2.99Å
26I63Low61.3Low62 Ų6296.5 Ų96.532%0.31849%0.494SS..Hα-helixtrans-11.7-84.5142.13.2145.7000115.1M22 Q24 F33 M63M22-I26 WeakPolarHBondContact O-CA 3.36Å; M22-I26 WeakPolarHBondContact O-CG1 3.42Å; M22-I26 PolarHBondContact O-N 3.03Å; Q24-I26 VanDerWaalsContact C-N 3.31Å; Q24-I26 PolarHBondContact O-N 2.7Å; I26-F33 HydrophobicContact CB-CD2 4.08Å; I26-F33 HydrophobicContact CB-CE2 4.27Å; I26-F33 HydrophobicContact CG1-CD1 4.25Å; I26-F33 HydrophobicContact CG1-CD2 3.69Å; I26-F33 HydrophobicContact CG1-CE1 4.22Å; I26-F33 HydrophobicContact CG1-CE2 3.64Å; I26-F33 HydrophobicContact CG1-CG 3.99Å; I26-F33 HydrophobicContact CG1-CZ 3.92Å; I26-F33 HydrophobicContact CG2-CB 4.16Å; I26-F33 HydrophobicContact CG2-CD2 3.68Å; I26-F33 HydrophobicContact CG2-CE2 4.37Å; I26-F33 HydrophobicContact CG2-CG 4.03Å; I26-M63 HydrophobicContact CD1-CE 4.27Å; I26-M63 HydrophobicContact CD1-SD 4.35Å
27R68Low60.5Low200 Ų20088.8 Ų88.876%0.75547%0.471SS*.Hα-helixtrans-72-31-173-65.8165.7-174.7-170.63113.7Q23 Q24Q23-R27 WeakPolarHBondContact O-CG 3.38Å; Q23-R27 PolarHBondContact O-N 2.85Å; Q24-R27 PolarHBondContact O-N 3.11Å
28E71.1Confident59.8Low109 Ų10990.1 Ų90.151%0.50947%0.474SS..Hα-helixtrans-72.4-35.2179.7-69.4168.5164.500112Q24 S25Q24-E28 VanDerWaalsContact CG-CD 3.46Å; Q24-E28 HydrophobicContact CG-CG 4.22Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.16Å; Q24-E28 PolarHBondContact NE2-OE1 2.68Å; Q24-E28 WeakPolarHBondContact O-CG 3.38Å; Q24-E28 PolarHBondContact O-N 3.09Å; S25-E28 PolarHBondContact O-N 2.86Å
29N63.6Low59.6Low69 Ų6987.3 Ų87.337%0.36946%0.457SS..  trans-135.557.4-172.5-65.5-89.2000113S25 S31 L32 F33S25-N29 PolarHBondContact O-N 2.99Å; N29-S31 PolarHBondContact O-N 2.96Å; N29-S31 VanDerWaalsContact O-N 3.08Å; N29-L32 HydrophobicContact CB-CB 4.38Å; N29-L32 HydrophobicContact CB-CD1 3.64Å; N29-L32 HydrophobicContact CB-CG 3.93Å; N29-L32 PolarHBondContact O-N 2.77Å; N29-F33 WeakPolarHBondContact O-CD2 3.37Å
30P58.8Low59.2Low84 Ų8482.6 Ų82.655%0.54544%0.439SS..G310 helixtrans-60.7-24-177.225.5-35.5000113.5F33 S34P30-F33 PolarHBondContact O-N 2.91Å; P30-S34 PolarHBondContact O-N 3.32Å; P30-S34 VanDerWaalsContact O-N 3.16Å
31S58.7Low58.7Low64 Ų6483.4 Ų83.445%0.44844%0.44SS..G310 helixtrans-60.7-42.4173.347.90000112.9N29 F33 S34 S37N29-S31 PolarHBondContact O-N 2.96Å; N29-S31 VanDerWaalsContact O-N 3.08Å; S31-F33 PolarHBondContact O-N 3.48Å; S31-F33 VanDerWaalsContact O-N 3.07Å; S31-S34 PolarHBondContact O-N 3.37Å; S31-S37 WeakPolarHBondContact O-CB 3.12Å; S31-S37 PolarHBondContact O-OG 2.9Å
32L53.9Low58.7Low103 Ų10383.7 Ų83.754%0.53945%0.448SS..G310 helixtrans-61.8-18.9178-63.7180000113N29N29-L32 HydrophobicContact CB-CB 4.38Å; N29-L32 HydrophobicContact CB-CD1 3.64Å; N29-L32 HydrophobicContact CB-CG 3.93Å; N29-L32 PolarHBondContact O-N 2.77Å
33F54.4Low59.9Low49 Ų4987.5 Ų87.522%0.21547%0.474CS..G310 helixtrans-111.5-0.4-177.5-59.1-74.5000113.9I26 N29 P30 S31 F59 R60I26-F33 HydrophobicContact CB-CD2 4.08Å; I26-F33 HydrophobicContact CB-CE2 4.27Å; I26-F33 HydrophobicContact CG1-CD1 4.25Å; I26-F33 HydrophobicContact CG1-CD2 3.69Å; I26-F33 HydrophobicContact CG1-CE1 4.22Å; I26-F33 HydrophobicContact CG1-CE2 3.64Å; I26-F33 HydrophobicContact CG1-CG 3.99Å; I26-F33 HydrophobicContact CG1-CZ 3.92Å; I26-F33 HydrophobicContact CG2-CB 4.16Å; I26-F33 HydrophobicContact CG2-CD2 3.68Å; I26-F33 HydrophobicContact CG2-CE2 4.37Å; I26-F33 HydrophobicContact CG2-CG 4.03Å; N29-F33 WeakPolarHBondContact O-CD2 3.37Å; P30-F33 PolarHBondContact O-N 2.91Å; S31-F33 PolarHBondContact O-N 3.48Å; S31-F33 VanDerWaalsContact O-N 3.07Å; F33-F59 AromaticContact CE1-CD1 3.94Å; F33-F59 HydrophobicContact CE1-CD1 3.94Å; F33-F59 AromaticContact CE1-CE1 3.62Å; F33-F59 HydrophobicContact CE1-CE1 3.62Å; F33-F59 HydrophobicContact CZ-CE1 4.18Å; F33-R60 PolarHBondContact O-NH2 3.34Å
34S53.3Low60.3Low46 Ų4683.4 Ų83.432%0.32246%0.456SS..  trans-69.7146172.3-179.90000111.5P30 S31 E36 R60P30-S34 PolarHBondContact O-N 3.32Å; P30-S34 VanDerWaalsContact O-N 3.16Å; S31-S34 PolarHBondContact O-N 3.37Å; S34-E36 PolarHBondContact OG-N 3.45Å; S34-R60 PolarHBondContact O-NH2 3.39Å
35M49.2Very low60.9Low147 Ų14781.3 Ų81.372%0.72445%0.453SS*.SBendtrans-71-20.5168.8-71.8-83.3-74.900112.6R60M35-R60 PolarHBondContact SD-NH1 2.76Å
36E54.7Low61.6Low178 Ų17887.1 Ų87.183%0.83248%0.475SS*.SBendtrans-106.3-9-171.3-58.4176.8154.100112.7S34S34-E36 PolarHBondContact OG-N 3.45Å
37S47.4Very low62.4Low40 Ų4089.5 Ų89.528%0.2849%0.488SS..SBendtrans-69.8125.9174.4-172.90000109.1S31 V39S31-S37 WeakPolarHBondContact O-CB 3.12Å; S31-S37 PolarHBondContact O-OG 2.9Å; S37-V39 PolarHBondContact O-N 2.88Å; S37-V39 VanDerWaalsContact O-N 3.07Å
38P49.4Very low62.7Low89 Ų8983.7 Ų83.758%0.57847%0.47SS*.  trans-60.3118.4167.326.5-32.4000107.2G40P38-G40 CarbonylContact C-O 3.38Å; P38-G40 PolarHBondContact O-N 3.22Å
39V55Low62.9Low28 Ų2883.4 Ų83.417%0.1746%0.464CS..SBendtrans-77.383.7-174-160.90000108.7S37 R49 Q52 N53S37-V39 PolarHBondContact O-N 2.88Å; S37-V39 VanDerWaalsContact O-N 3.07Å; V39-R49 WeakPolarHBondContact O-CA 3.5Å; V39-Q52 HydrophobicContact CB-CB 4.4Å; V39-Q52 HydrophobicContact CG1-CB 3.63Å; V39-Q52 PolarHBondContact O-OE1 3.22Å; V39-N53 VanDerWaalsContact CG2-OD1 3.31Å; V39-N53 WeakPolarHBondContact CG2-OD1 3.48Å
40G53.5Low63.4Low11 Ų1186.8 Ų86.811%0.11348%0.475CS..SBendtrans127.6144.6-170.500000110.7P38P38-G40 CarbonylContact C-O 3.38Å; P38-G40 PolarHBondContact O-N 3.22Å
41P55.6Low64.1Low72 Ų7290.7 Ų90.747%0.46848%0.479SS..  trans-56.2159.2175.125.4-35.2000111.1T43 A44P41-T43 PolarHBondContact O-N 3.15Å; P41-A44 HydrophobicContact CG-CB 4.12Å; P41-A44 WeakPolarHBondContact O-CB 3.36Å; P41-A44 PolarHBondContact O-N 3.2Å
42P64.6Low64.7Low117 Ų11790.5 Ų90.576%0.7647%0.471SS*.THydrogen-bonded Turntrans-59.7-20.5-178.124-34.4000113.8
43T80.7Confident65.5Low131 Ų13189.1 Ų89.180%0.80447%0.465SS*.THydrogen-bonded Turntrans-80.2-13.2173.649.10000114.7P41P41-T43 PolarHBondContact O-N 3.15Å
44A76.5Confident66.4Low3 Ų392 Ų923%0.02548%0.479CS..SBendtrans-64.4143.3-177.800000111.8P41 E48 R49P41-A44 HydrophobicContact CG-CB 4.12Å; P41-A44 WeakPolarHBondContact O-CB 3.36Å; P41-A44 PolarHBondContact O-N 3.2Å; A44-E48 WeakPolarHBondContact CA-OE2 3.35Å; A44-E48 HydrophobicContact CB-CG 4.19Å; A44-E48 WeakPolarHBondContact CB-OE2 3.04Å; A44-R49 HydrophobicContact CB-CG 3.85Å; A44-R49 VanDerWaalsContact O-CZ 3.27Å; A44-R49 PolarHBondContact O-NE 3.47Å; A44-R49 PolarHBondContact O-NH2 3.38Å
45S84.7Confident67.3Low64 Ų6495.6 Ų95.645%0.44849%0.494SS..  trans-65.3157.6177.668.90000111.6L47 E48 R49S45-L47 VanDerWaalsContact C-N 3.28Å; S45-L47 PolarHBondContact O-N 3.2Å; S45-E48 PolarHBondContact N-OE2 2.81Å; S45-E48 WeakPolarHBondContact O-CB 3.37Å; S45-E48 PolarHBondContact O-N 3.08Å; S45-E48 WeakPolarHBondContact OG-CB 3.3Å; S45-E48 PolarHBondContact OG-N 3.05Å; S45-E48 VanDerWaalsContact OG-N 3.15Å; S45-R49 PolarHBondContact O-N 3.07Å
46E78.4Confident68.4Low163 Ų16389.6 Ų89.676%0.76247%0.466SS*.Hα-helixtrans-61.2-39177.3-168.2-170.2152.200111.6E48 R49 K50E46-E48 VanDerWaalsContact C-N 3.34Å; E46-E48 PolarHBondContact O-N 3.31Å; E46-R49 PolarHBondContact O-N 3.16Å; E46-K50 VanDerWaalsContact O-CB 3.27Å; E46-K50 WeakPolarHBondContact O-CB 3.48Å; E46-K50 PolarHBondContact O-N 3.06Å
47L79.4Confident69.1Low113 Ų11384.4 Ų84.459%0.59245%0.449SS*.Hα-helixtrans-62.6-40.2175.517962.1000112.3S45 R51S45-L47 VanDerWaalsContact C-N 3.28Å; S45-L47 PolarHBondContact O-N 3.2Å; L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 2.84Å
48E73.5Confident70Confident78 Ų7886.5 Ų86.536%0.36446%0.457SS..Hα-helixtrans-67.9-49.9176.3177.1178.9-164.800111.3A44 S45 E46 K50 R51 Q52A44-E48 WeakPolarHBondContact CA-OE2 3.35Å; A44-E48 HydrophobicContact CB-CG 4.19Å; A44-E48 WeakPolarHBondContact CB-OE2 3.04Å; S45-E48 PolarHBondContact N-OE2 2.81Å; S45-E48 WeakPolarHBondContact O-CB 3.37Å; S45-E48 PolarHBondContact O-N 3.08Å; S45-E48 WeakPolarHBondContact OG-CB 3.3Å; S45-E48 PolarHBondContact OG-N 3.05Å; S45-E48 VanDerWaalsContact OG-N 3.15Å; E46-E48 VanDerWaalsContact C-N 3.34Å; E46-E48 PolarHBondContact O-N 3.31Å; E48-K50 PolarHBondContact O-N 3.19Å; E48-R51 PolarHBondContact O-N 2.86Å; E48-R51 VanDerWaalsContact O-N 3.08Å; E48-Q52 HydrophobicContact CG-CG 4.44Å; E48-Q52 WeakPolarHBondContact O-CG 3.41Å; E48-Q52 PolarHBondContact O-N 2.9Å; E48-Q52 PolarHBondContact OE1-NE2 3.07Å
49R74.6Confident70.8Confident103 Ų10386 Ų8639%0.38945%0.446SS..Hα-helixtrans-56.3-38.5174.2-75.3-176.8-97.6168.4-12.6111.7V39 A44 S45 E46 N53V39-R49 WeakPolarHBondContact O-CA 3.5Å; A44-R49 HydrophobicContact CB-CG 3.85Å; A44-R49 VanDerWaalsContact O-CZ 3.27Å; A44-R49 PolarHBondContact O-NE 3.47Å; A44-R49 PolarHBondContact O-NH2 3.38Å; S45-R49 PolarHBondContact O-N 3.07Å; E46-R49 PolarHBondContact O-N 3.16Å; R49-N53 WeakPolarHBondContact O-CB 3.38Å; R49-N53 PolarHBondContact O-N 2.9Å; R49-N53 PolarHBondContact O-ND2 2.92Å
50K75.5Confident71.4Confident140 Ų14088.3 Ų88.361%0.60945%0.451SS*.Hα-helixtrans-64.5-47174.3-175.5175.1179.9177.10112.3E46 E48 N53 E54E46-K50 VanDerWaalsContact O-CB 3.27Å; E46-K50 WeakPolarHBondContact O-CB 3.48Å; E46-K50 PolarHBondContact O-N 3.06Å; E48-K50 PolarHBondContact O-N 3.19Å; K50-N53 PolarHBondContact O-N 3.28Å; K50-E54 WeakPolarHBondContact O-CB 3.44Å; K50-E54 PolarHBondContact O-N 3.41Å
51R72.7Confident71.9Confident165 Ų16591.6 Ų91.662%0.62347%0.469SS*.Hα-helixtrans-62.4-42.9176.4-79.5-179.4170.8-168.5-1.8112.5L47 E48 E54 L55L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 2.84Å; E48-R51 PolarHBondContact O-N 2.86Å; E48-R51 VanDerWaalsContact O-N 3.08Å; R51-E54 PolarHBondContact O-N 3.13Å; R51-L55 WeakPolarHBondContact O-CG 3.34Å; R51-L55 PolarHBondContact O-N 2.85Å
52Q70.9Confident72.4Confident60 Ų6095 Ų9528%0.2848%0.479SS..Hα-helixtrans-69.7-37.5179.5-61.1-178.914.600111.4V39 E48 L55 C56V39-Q52 HydrophobicContact CB-CB 4.4Å; V39-Q52 HydrophobicContact CG1-CB 3.63Å; V39-Q52 PolarHBondContact O-OE1 3.22Å; E48-Q52 HydrophobicContact CG-CG 4.44Å; E48-Q52 WeakPolarHBondContact O-CG 3.41Å; E48-Q52 PolarHBondContact O-N 2.9Å; E48-Q52 PolarHBondContact OE1-NE2 3.07Å; Q52-L55 PolarHBondContact O-N 3.36Å; Q52-C56 WeakPolarHBondContact O-CB 3.33Å; Q52-C56 PolarHBondContact O-N 3.21Å
53N71.9Confident72.3Confident75 Ų7591.4 Ų91.440%0.40145%0.452SS..Hα-helixtrans-59.2-45.8169.1-89-74.5000112.1V39 R49 K50 L55 C56 C57V39-N53 VanDerWaalsContact CG2-OD1 3.31Å; V39-N53 WeakPolarHBondContact CG2-OD1 3.48Å; R49-N53 WeakPolarHBondContact O-CB 3.38Å; R49-N53 PolarHBondContact O-N 2.9Å; R49-N53 PolarHBondContact O-ND2 2.92Å; K50-N53 PolarHBondContact O-N 3.28Å; N53-L55 PolarHBondContact O-N 3.08Å; N53-C56 PolarHBondContact O-N 3.26Å; N53-C57 WeakPolarHBondContact O-CB 3.27Å; N53-C57 PolarHBondContact O-N 3.24Å; N53-C57 PolarHBondContact O-SG 3.46Å
54E72.4Confident71.2Confident110 Ų11090.1 Ų90.151%0.51444%0.44SS..Hα-helixtrans-60.8-43177.5-175.3169.8-167.800111.7K50 R51 C57 N58K50-E54 WeakPolarHBondContact O-CB 3.44Å; K50-E54 PolarHBondContact O-N 3.41Å; R51-E54 PolarHBondContact O-N 3.13Å; E54-C57 PolarHBondContact O-N 2.84Å; E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 3.38Å; E54-N58 PolarHBondContact O-ND2 2.92Å
55L72.6Confident70.4Confident121 Ų12192.9 Ų92.963%0.63446%0.456SS*.Hα-helixtrans-61.8-44.2172.7-72.4168.2000112.5R51 Q52 N53 N58 F59R51-L55 WeakPolarHBondContact O-CG 3.34Å; R51-L55 PolarHBondContact O-N 2.85Å; Q52-L55 PolarHBondContact O-N 3.36Å; N53-L55 PolarHBondContact O-N 3.08Å; L55-N58 PolarHBondContact O-N 2.97Å; L55-F59 VanDerWaalsContact O-CB 3.25Å; L55-F59 WeakPolarHBondContact O-CB 3.31Å; L55-F59 PolarHBondContact O-N 3.42Å
56C72.8Confident69.4Low20 Ų2092.4 Ų92.414%0.13545%0.453CS..Hα-helixtrans-64.2-43.4178-175.50000111.9Q52 N53 R60Q52-C56 WeakPolarHBondContact O-CB 3.33Å; Q52-C56 PolarHBondContact O-N 3.21Å; N53-C56 PolarHBondContact O-N 3.26Å; C56-R60 WeakPolarHBondContact O-CB 3.39Å; C56-R60 VanDerWaalsContact O-CG 3.31Å; C56-R60 WeakPolarHBondContact O-CG 3.3Å; C56-R60 PolarHBondContact O-N 2.95Å
57C68.1Low68.2Low70 Ų7088.3 Ų88.347%0.47344%0.439SS..Hα-helixtrans-63.4-43.8175.1-74.70000112.3N53 E54 T61N53-C57 WeakPolarHBondContact O-CB 3.27Å; N53-C57 PolarHBondContact O-N 3.24Å; N53-C57 PolarHBondContact O-SG 3.46Å; E54-C57 PolarHBondContact O-N 2.84Å; C57-T61 WeakPolarHBondContact O-CB 3.35Å; C57-T61 PolarHBondContact O-N 3.37Å; C57-T61 PolarHBondContact O-OG1 3.43Å
58N67.9Low66.9Low84 Ų8487.4 Ų87.445%0.44943%0.434SS..Hα-helixtrans-64.8-47.4176.7-71.3-21.5000111.2E54 L55 R60 T61 E62E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 3.38Å; E54-N58 PolarHBondContact O-ND2 2.92Å; L55-N58 PolarHBondContact O-N 2.97Å; N58-R60 PolarHBondContact O-N 2.87Å; N58-T61 CarbonylContact O-C 3.56Å; N58-T61 WeakPolarHBondContact O-CA 3.44Å; N58-T61 WeakPolarHBondContact O-CB 3.45Å; N58-T61 PolarHBondContact O-N 3.09Å; N58-T61 VanDerWaalsContact O-N 3.09Å; N58-E62 PolarHBondContact O-N 3.21Å
59F66.2Low66Low79 Ų7991.9 Ų91.935%0.34645%0.448SS..Hα-helixtrans-61.5-43.3178.1-176-93.2000112.7M22 F33 L55 T61 E62 M63M22-F59 HydrophobicContact CE-CE1 4.41Å; M22-F59 HydrophobicContact CE-CE2 3.88Å; M22-F59 HydrophobicContact CE-CZ 3.59Å; F33-F59 AromaticContact CE1-CD1 3.94Å; F33-F59 HydrophobicContact CE1-CD1 3.94Å; F33-F59 AromaticContact CE1-CE1 3.62Å; F33-F59 HydrophobicContact CE1-CE1 3.62Å; F33-F59 HydrophobicContact CZ-CE1 4.18Å; L55-F59 VanDerWaalsContact O-CB 3.25Å; L55-F59 WeakPolarHBondContact O-CB 3.31Å; L55-F59 PolarHBondContact O-N 3.42Å; F59-T61 VanDerWaalsContact C-N 3.31Å; F59-T61 PolarHBondContact O-N 2.97Å; F59-E62 PolarHBondContact O-N 2.8Å; F59-M63 HydrophobicContact CD1-CE 3.99Å; F59-M63 HydrophobicContact CD1-CG 4.27Å; F59-M63 HydrophobicContact CD1-SD 4.36Å; F59-M63 HydrophobicContact CE1-CE 3.71Å; F59-M63 HydrophobicContact CE1-CG 3.91Å; F59-M63 HydrophobicContact CE1-SD 3.64Å; F59-M63 HydrophobicContact CZ-CG 4.3Å; F59-M63 HydrophobicContact CZ-SD 4.22Å; F59-M63 WeakPolarHBondContact O-CB 3.25Å; F59-M63 PolarHBondContact O-N 3.46Å
60R67.1Low65Low76 Ų7690.5 Ų90.529%0.28745%0.448SS..Hα-helixtrans-61.6-38.7172.5-76.7173.4169.6-177.5-0111.9F33 S34 M35 C56 N58 L64F33-R60 PolarHBondContact O-NH2 3.34Å; S34-R60 PolarHBondContact O-NH2 3.39Å; M35-R60 PolarHBondContact SD-NH1 2.76Å; C56-R60 WeakPolarHBondContact O-CB 3.39Å; C56-R60 VanDerWaalsContact O-CG 3.31Å; C56-R60 WeakPolarHBondContact O-CG 3.3Å; C56-R60 PolarHBondContact O-N 2.95Å; N58-R60 PolarHBondContact O-N 2.87Å; R60-L64 WeakPolarHBondContact O-CB 3.49Å; R60-L64 PolarHBondContact O-N 3.01Å
61T63.3Low63.7Low80 Ų8086.6 Ų86.649%0.49144%0.438SS..Hα-helixtrans-68-41.9177.5-57.10000111.3C57 N58 F59 L64 V65C57-T61 WeakPolarHBondContact O-CB 3.35Å; C57-T61 PolarHBondContact O-N 3.37Å; C57-T61 PolarHBondContact O-OG1 3.43Å; N58-T61 CarbonylContact O-C 3.56Å; N58-T61 WeakPolarHBondContact O-CA 3.44Å; N58-T61 WeakPolarHBondContact O-CB 3.45Å; N58-T61 PolarHBondContact O-N 3.09Å; N58-T61 VanDerWaalsContact O-N 3.09Å; F59-T61 VanDerWaalsContact C-N 3.31Å; F59-T61 PolarHBondContact O-N 2.97Å; T61-L64 PolarHBondContact O-N 3.36Å; T61-V65 WeakPolarHBondContact O-CB 3.43Å; T61-V65 VanDerWaalsContact O-CG2 3.28Å; T61-V65 WeakPolarHBondContact O-CG2 3.45Å; T61-V65 PolarHBondContact O-N 3.35Å
62E67.3Low63Low143 Ų14384 Ų8467%0.66844%0.436SS*.Hα-helixtrans-68.9-39175.4-70-165.714800112.5N58 F59 L64 V65 S66N58-E62 PolarHBondContact O-N 3.21Å; F59-E62 PolarHBondContact O-N 2.8Å; E62-L64 PolarHBondContact O-N 2.94Å; E62-V65 PolarHBondContact O-N 2.85Å; E62-S66 WeakPolarHBondContact O-CB 3.41Å; E62-S66 PolarHBondContact O-N 3.43Å
63M61.9Low62.1Low42 Ų4284.1 Ų84.121%0.20744%0.441CS..Hα-helixtrans-59.3-45.1169.7-81.1-155.9-5800111.7M22 I26 F59 S66 T67M22-M63 HydrophobicContact CE-CG 3.57Å; M22-M63 HydrophobicContact CE-SD 4.06Å; M22-M63 HydrophobicContact SD-CG 4.2Å; M22-M63 HydrophobicContact SD-SD 4.19Å; I26-M63 HydrophobicContact CD1-CE 4.27Å; I26-M63 HydrophobicContact CD1-SD 4.35Å; F59-M63 HydrophobicContact CD1-CE 3.99Å; F59-M63 HydrophobicContact CD1-CG 4.27Å; F59-M63 HydrophobicContact CD1-SD 4.36Å; F59-M63 HydrophobicContact CE1-CE 3.71Å; F59-M63 HydrophobicContact CE1-CG 3.91Å; F59-M63 HydrophobicContact CE1-SD 3.64Å; F59-M63 HydrophobicContact CZ-CG 4.3Å; F59-M63 HydrophobicContact CZ-SD 4.22Å; F59-M63 WeakPolarHBondContact O-CB 3.25Å; F59-M63 PolarHBondContact O-N 3.46Å; M63-S66 PolarHBondContact O-N 3.21Å; M63-T67 VanDerWaalsContact O-CB 3.32Å; M63-T67 WeakPolarHBondContact O-CB 3.49Å; M63-T67 PolarHBondContact O-N 3.28Å; M63-T67 PolarHBondContact O-OG1 2.86Å
64L57.8Low61.4Low104 Ų10486.1 Ų86.155%0.54545%0.452SS..Hα-helixtrans-64.3-42.4177.7-178.761.7000111.2R60 T61 E62 T67 L68R60-L64 WeakPolarHBondContact O-CB 3.49Å; R60-L64 PolarHBondContact O-N 3.01Å; T61-L64 PolarHBondContact O-N 3.36Å; E62-L64 PolarHBondContact O-N 2.94Å; L64-T67 PolarHBondContact O-N 3.46Å; L64-L68 HydrophobicContact CD1-CD1 3.98Å; L64-L68 HydrophobicContact CD1-CG 4.19Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.49Å; L64-L68 VanDerWaalsContact O-CB 3.29Å; L64-L68 WeakPolarHBondContact O-CB 3.37Å; L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 3.41Å
65V59.1Low60.8Low60 Ų6086.1 Ų86.136%0.36445%0.451SS..Hα-helixtrans-69.4-34177.4169.80000112.4T61 E62 R69T61-V65 WeakPolarHBondContact O-CB 3.43Å; T61-V65 VanDerWaalsContact O-CG2 3.28Å; T61-V65 WeakPolarHBondContact O-CG2 3.45Å; T61-V65 PolarHBondContact O-N 3.35Å; E62-V65 PolarHBondContact O-N 2.85Å; V65-R69 WeakPolarHBondContact O-CB 3.31Å; V65-R69 WeakPolarHBondContact O-CD 3.35Å; V65-R69 WeakPolarHBondContact O-CG 3.34Å; V65-R69 PolarHBondContact O-N 3.33Å
66S63.6Low60.1Low55 Ų5585.2 Ų85.239%0.38545%0.446SS..Hα-helixtrans-68.2-48.6170.4-160.80000110.3E62 M63 L68 R69 D70E62-S66 WeakPolarHBondContact O-CB 3.41Å; E62-S66 PolarHBondContact O-N 3.43Å; M63-S66 PolarHBondContact O-N 3.21Å; S66-L68 VanDerWaalsContact C-N 3.25Å; S66-L68 PolarHBondContact O-N 2.95Å; S66-R69 CarbonylContact O-C 3.59Å; S66-R69 WeakPolarHBondContact O-CA 3.4Å; S66-R69 WeakPolarHBondContact O-CB 3.32Å; S66-R69 PolarHBondContact O-N 3.46Å; S66-D70 VanDerWaalsContact C-OD2 3.26Å; S66-D70 WeakPolarHBondContact O-CB 3.49Å; S66-D70 VanDerWaalsContact O-CG 3.26Å; S66-D70 PolarHBondContact O-N 3.48Å; S66-D70 PolarHBondContact OG-OD2 2.91Å
67T54.4Low59.5Low77 Ų7787.8 Ų87.847%0.47246%0.458SS..Hα-helixtrans-58.3-38178.2-51.90000111.6M63 L64 R69 D70 C71M63-T67 VanDerWaalsContact O-CB 3.32Å; M63-T67 WeakPolarHBondContact O-CB 3.49Å; M63-T67 PolarHBondContact O-N 3.28Å; M63-T67 PolarHBondContact O-OG1 2.86Å; L64-T67 PolarHBondContact O-N 3.46Å; T67-R69 VanDerWaalsContact C-N 3.26Å; T67-R69 PolarHBondContact O-N 2.93Å; T67-D70 PolarHBondContact O-N 3.25Å; T67-C71 VanDerWaalsContact O-CB 3.3Å; T67-C71 WeakPolarHBondContact O-CB 3.36Å; T67-C71 PolarHBondContact O-N 3.32Å; T67-C71 PolarHBondContact O-SG 2.87Å
68L50.8Low59.4Low93 Ų9388.9 Ų88.949%0.48746%0.456SS..Hα-helixtrans-77.40173-67.9172.6000114.7L64 S66 V73L64-L68 HydrophobicContact CD1-CD1 3.98Å; L64-L68 HydrophobicContact CD1-CG 4.19Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.49Å; L64-L68 VanDerWaalsContact O-CB 3.29Å; L64-L68 WeakPolarHBondContact O-CB 3.37Å; L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 3.41Å; S66-L68 VanDerWaalsContact C-N 3.25Å; S66-L68 PolarHBondContact O-N 2.95Å; L68-V73 WeakPolarHBondContact O-CG2 3.43Å
69R56.1Low59.5Low173 Ų17388.3 Ų88.365%0.65345%0.451SS*.Hα-helixtrans-112.6-16.1168.5-71.8169.4177.8-174.12.7112.9V65 S66 T67V65-R69 WeakPolarHBondContact O-CB 3.31Å; V65-R69 WeakPolarHBondContact O-CD 3.35Å; V65-R69 WeakPolarHBondContact O-CG 3.34Å; V65-R69 PolarHBondContact O-N 3.33Å; S66-R69 CarbonylContact O-C 3.59Å; S66-R69 WeakPolarHBondContact O-CA 3.4Å; S66-R69 WeakPolarHBondContact O-CB 3.32Å; S66-R69 PolarHBondContact O-N 3.46Å; T67-R69 VanDerWaalsContact C-N 3.26Å; T67-R69 PolarHBondContact O-N 2.93Å
70D53.3Low59.6Low74 Ų7491.6 Ų91.640%0.39646%0.462SS..Hα-helixtrans-93.7-34.4178-71.8-50.6000110.8R15 S66 T67 D72R15-D70 WeakPolarHBondContact CD-OD1 3.22Å; R15-D70 IonicContact CZ-OD1 2.77Å; R15-D70 IonicContact NE-OD1 3.16Å; R15-D70 IonicContact NH1-OD1 2.75Å; R15-D70 PolarHBondContact NH1-OD1 3.47Å; S66-D70 VanDerWaalsContact C-OD2 3.26Å; S66-D70 WeakPolarHBondContact O-CB 3.49Å; S66-D70 VanDerWaalsContact O-CG 3.26Å; S66-D70 PolarHBondContact O-N 3.48Å; S66-D70 PolarHBondContact OG-OD2 2.91Å; T67-D70 PolarHBondContact O-N 3.25Å; D70-D72 PolarHBondContact O-N 2.91Å
71C47.8Very low59.9Low58 Ų5892.2 Ų92.239%0.39247%0.468SS..SBendtrans-65.2117.4149.5-700000108T67 V73 L76T67-C71 VanDerWaalsContact O-CB 3.3Å; T67-C71 WeakPolarHBondContact O-CB 3.36Å; T67-C71 PolarHBondContact O-N 3.32Å; T67-C71 PolarHBondContact O-SG 2.87Å; C71-V73 VanDerWaalsContact C-N 3.34Å; C71-V73 PolarHBondContact O-N 3.46Å; C71-L76 HydrophobicContact CB-CD1 4.09Å
72D57.3Low60.3Low110 Ų11095.1 Ų95.159%0.58847%0.47SS*.  trans-60.398.6165.2-88.9-42000108.4D70 D74 F75 L76D70-D72 PolarHBondContact O-N 2.91Å; D72-D74 PolarHBondContact O-N 3.36Å; D72-F75 HydrophobicContact CB-CB 3.43Å; D72-F75 VanDerWaalsContact CB-CB 3.43Å; D72-F75 WeakPolarHBondContact O-CA 3.46Å; D72-F75 WeakPolarHBondContact O-CB 3.42Å; D72-F75 PolarHBondContact O-N 3.06Å; D72-L76 PolarHBondContact O-N 2.91Å
73V53.6Low60.6Low63 Ų6397.5 Ų97.538%0.38247%0.473SS..Hα-helixtrans-58.9-34.6173.5-179.30000109.5L68 C71 F75 L76 L77L68-V73 WeakPolarHBondContact O-CG2 3.43Å; C71-V73 VanDerWaalsContact C-N 3.34Å; C71-V73 PolarHBondContact O-N 3.46Å; V73-F75 PolarHBondContact O-N 3.19Å; V73-L76 PolarHBondContact O-N 2.9Å; V73-L77 HydrophobicContact CG1-CD1 3.96Å; V73-L77 HydrophobicContact CG1-CG 4.3Å; V73-L77 VanDerWaalsContact O-CB 3.28Å; V73-L77 WeakPolarHBondContact O-CB 3.48Å; V73-L77 VanDerWaalsContact O-CG 3.25Å; V73-L77 WeakPolarHBondContact O-CG 3.32Å; V73-L77 PolarHBondContact O-N 3.24Å
74D56.2Low61.1Low117 Ų11798.8 Ų98.863%0.62648%0.48SS*.Hα-helixtrans-67-32174.4-59.3-29.2000112.4D72 Q78D72-D74 PolarHBondContact O-N 3.36Å; D74-Q78 VanDerWaalsContact O-CB 3.27Å; D74-Q78 WeakPolarHBondContact O-CB 3.47Å; D74-Q78 VanDerWaalsContact O-CG 3.25Å; D74-Q78 WeakPolarHBondContact O-CG 3.35Å; D74-Q78 PolarHBondContact O-N 3.44Å
75F60.8Low61.8Low110 Ų11098.5 Ų98.548%0.48248%0.479SS..Hα-helixtrans-72.9-44.3171.7179.5-95.3000111D72 V73 L77 Q78 Q79D72-F75 HydrophobicContact CB-CB 3.43Å; D72-F75 VanDerWaalsContact CB-CB 3.43Å; D72-F75 WeakPolarHBondContact O-CA 3.46Å; D72-F75 WeakPolarHBondContact O-CB 3.42Å; D72-F75 PolarHBondContact O-N 3.06Å; V73-F75 PolarHBondContact O-N 3.19Å; F75-L77 VanDerWaalsContact C-N 3.33Å; F75-L77 PolarHBondContact O-N 3.42Å; F75-Q78 PolarHBondContact O-N 3.29Å; F75-Q79 HydrophobicContact CD1-CG 4Å; F75-Q79 HydrophobicContact CE1-CG 3.72Å; F75-Q79 HydrophobicContact CE2-CG 4.3Å; F75-Q79 HydrophobicContact CG-CG 4.41Å; F75-Q79 HydrophobicContact CZ-CG 3.9Å; F75-Q79 WeakPolarHBondContact O-CB 3.4Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.03Å
76L57.8Low61.7Low102 Ų10297.4 Ų97.453%0.53448%0.48SS..Hα-helixtrans-64.1-38.3177.5-68.5174000111.7C71 D72 V73 Q79 Y80C71-L76 HydrophobicContact CB-CD1 4.09Å; D72-L76 PolarHBondContact O-N 2.91Å; V73-L76 PolarHBondContact O-N 2.9Å; L76-Q79 PolarHBondContact O-N 3.37Å; L76-Y80 WeakPolarHBondContact O-CB 3.3Å; L76-Y80 PolarHBondContact O-N 3.32Å
77L60.3Low61.3Low74 Ų74100.6 Ų100.639%0.38749%0.493SS..Hα-helixtrans-63.9-51.4169.9-75.3169.5000110.9V73 F75 Q79 Y80 E81V73-L77 HydrophobicContact CG1-CD1 3.96Å; V73-L77 HydrophobicContact CG1-CG 4.3Å; V73-L77 VanDerWaalsContact O-CB 3.28Å; V73-L77 WeakPolarHBondContact O-CB 3.48Å; V73-L77 VanDerWaalsContact O-CG 3.25Å; V73-L77 WeakPolarHBondContact O-CG 3.32Å; V73-L77 PolarHBondContact O-N 3.24Å; F75-L77 VanDerWaalsContact C-N 3.33Å; F75-L77 PolarHBondContact O-N 3.42Å; L77-Q79 PolarHBondContact O-N 2.7Å; L77-Y80 CarbonylContact O-C 3.58Å; L77-Y80 WeakPolarHBondContact O-CA 3.43Å; L77-Y80 WeakPolarHBondContact O-CB 3.33Å; L77-Y80 PolarHBondContact O-N 2.93Å; L77-E81 WeakPolarHBondContact O-CB 3.28Å; L77-E81 WeakPolarHBondContact O-CG 3.18Å; L77-E81 PolarHBondContact O-N 3.32Å
78Q65.2Low61.1Low92 Ų92104.3 Ų104.343%0.4351%0.506SS..Hα-helixtrans-60.9-27.8177.3-81.7-173.816.500114.3D74 F75 R82D74-Q78 VanDerWaalsContact O-CB 3.27Å; D74-Q78 WeakPolarHBondContact O-CB 3.47Å; D74-Q78 VanDerWaalsContact O-CG 3.25Å; D74-Q78 WeakPolarHBondContact O-CG 3.35Å; D74-Q78 PolarHBondContact O-N 3.44Å; F75-Q78 PolarHBondContact O-N 3.29Å; Q78-R82 WeakPolarHBondContact O-CB 3.48Å; Q78-R82 WeakPolarHBondContact O-CG 3.42Å; Q78-R82 PolarHBondContact O-N 3.46Å; Q78-R82 PolarHBondContact O-NE 2.86Å; Q78-R82 VanDerWaalsContact O-NE 3.17Å
79Q69.1Low61.1Low73 Ų73107.5 Ų107.534%0.34152%0.519SS..Hα-helixtrans-78.9-31.1173.9-68.8-68-11.800111.8F75 L76 L77 R83F75-Q79 HydrophobicContact CD1-CG 4Å; F75-Q79 HydrophobicContact CE1-CG 3.72Å; F75-Q79 HydrophobicContact CE2-CG 4.3Å; F75-Q79 HydrophobicContact CG-CG 4.41Å; F75-Q79 HydrophobicContact CZ-CG 3.9Å; F75-Q79 WeakPolarHBondContact O-CB 3.4Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.03Å; L76-Q79 PolarHBondContact O-N 3.37Å; L77-Q79 PolarHBondContact O-N 2.7Å; Q79-R83 WeakPolarHBondContact O-CB 3.22Å; Q79-R83 WeakPolarHBondContact O-CG 3.37Å; Q79-R83 PolarHBondContact O-N 2.78Å
80Y68.5Low60.7Low148 Ų148105.3 Ų105.358%0.5852%0.52SS*.Hα-helixtrans-72.3-46.9173.2-178.3-101.5000111.6L76 L77 R83 N84L76-Y80 WeakPolarHBondContact O-CB 3.3Å; L76-Y80 PolarHBondContact O-N 3.32Å; L77-Y80 CarbonylContact O-C 3.58Å; L77-Y80 WeakPolarHBondContact O-CA 3.43Å; L77-Y80 WeakPolarHBondContact O-CB 3.33Å; L77-Y80 PolarHBondContact O-N 2.93Å; Y80-R83 PolarHBondContact O-N 3.33Å; Y80-N84 WeakPolarHBondContact CE1-ND2 3.12Å; Y80-N84 VanDerWaalsContact CZ-ND2 3.3Å; Y80-N84 PolarHBondContact O-N 3.49Å; Y80-N84 PolarHBondContact OH-ND2 2.94Å
81E73.7Confident60.2Low89 Ų89108.9 Ų108.942%0.41654%0.538SS..Hα-helixtrans-56.7-55.1172.3-69.8168.2165.600110.3L77 R83 N84 D85L77-E81 WeakPolarHBondContact O-CB 3.28Å; L77-E81 WeakPolarHBondContact O-CG 3.18Å; L77-E81 PolarHBondContact O-N 3.32Å; E81-R83 PolarHBondContact O-N 3.37Å; E81-R83 VanDerWaalsContact O-N 3.12Å; E81-N84 PolarHBondContact O-N 3.35Å; E81-D85 WeakPolarHBondContact O-CB 3.17Å; E81-D85 VanDerWaalsContact O-CG 3.32Å; E81-D85 PolarHBondContact O-N 3.41Å
82R72Confident59.9Low141 Ų141111.9 Ų111.953%0.53256%0.555SS.*Hα-helixtrans-58.2-28.9176.9-78.7-176.5-100.9-165.3-9.9114.3Q78 G86Q78-R82 WeakPolarHBondContact O-CB 3.48Å; Q78-R82 WeakPolarHBondContact O-CG 3.42Å; Q78-R82 PolarHBondContact O-N 3.46Å; Q78-R82 PolarHBondContact O-NE 2.86Å; Q78-R82 VanDerWaalsContact O-NE 3.17Å; R82-G86 PolarHBondContact O-N 2.83Å; R82-G86 VanDerWaalsContact O-N 3.12Å
83R73.7Confident59.2Low193 Ų193113.4 Ų113.473%0.72856%0.563SS**Hα-helixtrans-75.6-37173.4-84.8-177.6170.5-165.6-2.5113Q79 Y80 E81 N87Q79-R83 WeakPolarHBondContact O-CB 3.22Å; Q79-R83 WeakPolarHBondContact O-CG 3.37Å; Q79-R83 PolarHBondContact O-N 2.78Å; Y80-R83 PolarHBondContact O-N 3.33Å; E81-R83 PolarHBondContact O-N 3.37Å; E81-R83 VanDerWaalsContact O-N 3.12Å; R83-N87 PolarHBondContact O-N 3.22Å
84N72.6Confident58.6Low69 Ų69117.9 Ų117.937%0.36958%0.579SS.*Hα-helixtrans-75.1-46178-74.3-10.2000111.5Y80 E81 G86 N87 M88Y80-N84 WeakPolarHBondContact CE1-ND2 3.12Å; Y80-N84 VanDerWaalsContact CZ-ND2 3.3Å; Y80-N84 PolarHBondContact O-N 3.49Å; Y80-N84 PolarHBondContact OH-ND2 2.94Å; E81-N84 PolarHBondContact O-N 3.35Å; N84-G86 VanDerWaalsContact C-N 3.33Å; N84-G86 PolarHBondContact O-N 3.09Å; N84-N87 WeakPolarHBondContact O-CB 3.12Å; N84-N87 PolarHBondContact O-N 3.19Å; N84-N87 VanDerWaalsContact O-N 3.11Å; N84-M88 PolarHBondContact O-N 3.46Å
85D72.5Confident57.6Low98 Ų98118.9 Ų118.952%0.52459%0.585SS.*Hα-helixtrans-64.4-39.5177.6-61.2-22.4000111.1E81 N87 M88 H89E81-D85 WeakPolarHBondContact O-CB 3.17Å; E81-D85 VanDerWaalsContact O-CG 3.32Å; E81-D85 PolarHBondContact O-N 3.41Å; D85-N87 PolarHBondContact O-N 3.33Å; D85-M88 PolarHBondContact O-N 2.83Å; D85-H89 PolarHBondContact O-N 2.71Å
86G56Low56.4Low36 Ų36124.1 Ų124.137%0.37160%0.603SS.*Hα-helixtrans-64.6-24.1173.700000114.5R82 N84 N90R82-G86 PolarHBondContact O-N 2.83Å; R82-G86 VanDerWaalsContact O-N 3.12Å; N84-G86 VanDerWaalsContact C-N 3.33Å; N84-G86 PolarHBondContact O-N 3.09Å; G86-N90 PolarHBondContact O-ND2 2.97Å
87N54.6Low55.6Low123 Ų123125.6 Ų125.666%0.65862%0.616SS**Hα-helixtrans-85.3-27172.3-96.6-3.1000112.9R83 N84 D85R83-N87 PolarHBondContact O-N 3.22Å; N84-N87 WeakPolarHBondContact O-CB 3.12Å; N84-N87 PolarHBondContact O-N 3.19Å; N84-N87 VanDerWaalsContact O-N 3.11Å; D85-N87 PolarHBondContact O-N 3.33Å
88M51.8Low54.4Low154 Ų154128.7 Ų128.776%0.75963%0.633SS**Hα-helixtrans-75.4-26.1178.1-79.2-69-177.900113.4N84 D85N84-M88 PolarHBondContact O-N 3.46Å; D85-M88 PolarHBondContact O-N 2.83Å
89H51.1Low53.1Low160 Ų160129.2 Ų129.274%0.74165%0.645SS**THydrogen-bonded Turntrans-98.28.2-174.3-79.8-59.2000116.3D85D85-H89 PolarHBondContact O-N 2.71Å
90N45.9Very low51.4Low128 Ų128131.3 Ų131.368%0.68466%0.663SS**SBendtrans-126.129.8178.3-77.4-57.5000113.7G86G86-N90 PolarHBondContact O-ND2 2.97Å
91L44.7Very low49.7Very low149 Ų149133.3 Ų133.378%0.7868%0.68SS**  trans-113.533.4-179.8-82.8169.6000114
92T40.3Very low47.8Very low120 Ų120135.9 Ų135.974%0.73670%0.696SS**SBendtrans-144.1116.9165.742.30000111.1
93D41.9Very low45.9Very low142 Ų142134.4 Ų134.476%0.75970%0.703SS**  trans63.1126.5153.8-58.1-31.6000122.4
94H42.6Very low43.9Very low157 Ų157133.7 Ų133.773%0.72771%0.713SS**  trans78.6121.8155.7-67.8-62.2000122.7
95D34.1Very low42Very low139 Ų139138.1 Ų138.174%0.74373%0.733SS**  trans62.658.9138.6-57.56.5000119.7T97D95-T97 PolarHBondContact O-N 2.99Å
96Y35.4Very low40.3Very low219 Ų219139.9 Ų139.986%0.85975%0.748SS**  trans-83.290.5160.7-105.6-90.9000112.9N98Y96-N98 PolarHBondContact O-N 3.08Å
97T40.9Very low39.1Very low133 Ų133143.2 Ų143.282%0.81677%0.772SS**  trans-77.399.1161.335.70000110.5D95D95-T97 PolarHBondContact O-N 2.99Å
98N35.3Very low37.8Very low139 Ų139140.4 Ų140.474%0.74377%0.772SS**  trans-62.3143.1175.9-171.3-12.5000111.6Y96Y96-N98 PolarHBondContact O-N 3.08Å
99P37.8Very low37Very low104 Ų104138.2 Ų138.268%0.67577%0.772SS**  -142158.5126.140.1-28.7000116.3
100T34.9Very low36.1Very low117 Ų117138.1 Ų138.172%0.71878%0.776SS**  trans8761.4154.2-21.30000119.3
101M32Very low35.5Very low189 Ų189140.4 Ų140.493%0.93178%0.783SS**  trans-8990.6132.4-106.4-154-175.200109
102N33.1Very low35Very low143 Ų143139.7 Ų139.777%0.76578%0.779SS**  trans-172.1168.9153.3-114.2-35.5000112.8
103T33.5Very low34.7Very low110 Ų110140 Ų14068%0.67578%0.78SS**  trans70.168.8167.7-39.20000116.2M105T103-M105 HydrophobicContact CG2-CB 4.28Å; T103-M105 PolarHBondContact O-N 3.22Å
104L30.4Very low34.3Very low179 Ų179139 Ų13994%0.93778%0.782SS**  trans-55.8105.9131.4-101157.3000108
105M33.6Very low34Very low162 Ų162137.8 Ų137.880%0.79879%0.785SS**  trans167.8153.7155.9-90.5-94.7-123.800110.9T103T103-M105 HydrophobicContact CG2-CB 4.28Å; T103-M105 PolarHBondContact O-N 3.22Å
106T36Very low34Very low135 Ų135135.6 Ų135.683%0.82878%0.781SS**  trans69.399.7171.2-24.90000116.4
107A30.9Very low33.9Very low106 Ų106134.2 Ų134.288%0.87678%0.782SS**  trans-90139.2154.600000109.3
108G28.2Very low33.7Very low64 Ų64132.9 Ų132.966%0.6679%0.785SS**  trans159147.8172.600000114.2
109S34.9Very low33.7Very low108 Ų108134.6 Ų134.676%0.75579%0.788SS**  trans51.188.8166.556.70000118.2
110D32Very low33.7Very low157 Ų157138.9 Ų138.984%0.8480%0.799SS**  39.1153.7109.4-60.2-67.7000123.7
111E34Very low33.8Very low176 Ų176144 Ų14482%0.82281%0.805SS**  trans96.6125.1148.7-89.5-162.2137.100123.6
112I33.5Very low34.2Very low135 Ų135141.6 Ų141.669%0.69280%0.801SS**  trans90.993.3145.8-61160000120.9
113V34.3Very low34.3Very low127 Ų127143 Ų14377%0.7781%0.805SS**  47.4130.1127.5-172.60000121.9
114P33.5Very low34.6Very low121 Ų121145.2 Ų145.279%0.78681%0.812SS**  trans-104.8152.6172.839.4-33.3000116.1
115T36.5Very low35.1Very low130 Ų130145.6 Ų145.680%0.79880%0.801SS**  trans-159153.9168.4480000109.8
116S34.3Very low35.3Very low94 Ų94146.7 Ų146.766%0.65780%0.797SS**  cis-172.6159-23.551.80000108.6
117E33.3Very low35.5Very low189 Ų189146.2 Ų146.288%0.88379%0.789SS**  trans45.9122.3156.8-63-179124.900122.1
118A35.9Very low35.8Very low105 Ų105144.9 Ų144.987%0.86878%0.778SS**  -167.5129.2117.400000111.5
119Q34.4Very low36.5Very low176 Ų176150.6 Ų150.682%0.82279%0.787SS**  trans-105.8149.6164.4-69.8-174.3-6.900109.8
120H38.8Very low36.7Very low194 Ų194153.1 Ų153.190%0.89879%0.787SS**  trans-154.6142.4141.1-123.3-83.3000112.9
121R36.2Very low37.1Very low223 Ų223148.4 Ų148.484%0.84278%0.776SS**  trans-109.6149.4175.5-62.6171.2171.8170-4.6110.6
122V41.7Very low37.3Very low140 Ų140147.7 Ų147.785%0.84877%0.773SS**  trans-146.7144.8143.5-179.30000108.9
123M33.9Very low37.7Very low172 Ų172146.4 Ų146.485%0.84777%0.767SS**  trans-114.5149168.1-89.5-161.4-67.200110.6
124N40.8Very low38Very low156 Ų156147.8 Ų147.883%0.83477%0.765SS**  trans-177.2167.1145.7-91.1-35.2000109.7
125R39.9Very low38Very low187 Ų187147.4 Ų147.471%0.70677%0.765SS**  -177.5146.4-57.5-143.5-167.7175.4176.20.3106.7
126R39.1Very low38.2Very low186 Ų186146.3 Ų146.370%0.70277%0.77SS**  trans69.4155.3158.1-71.5-172162.4162.7-4.6117.9
127D39.6Very low38.2Very low125 Ų125148.4 Ų148.467%0.66878%0.778SS**  cis-144.7152.1-9.4-91.1-30.8000107.7
128A36.7Very low38.4Very low77 Ų77146.2 Ų146.264%0.63678%0.778SS**  52.8143.2101.100000115.7
129E42.8Very low38.2Very low184 Ų184147.9 Ų147.986%0.8677%0.768SS**  cis-161.4172.320.8-100.2134.2-129.700108.2
130E39.4Very low38.2Very low161 Ų161149.3 Ų149.375%0.75277%0.766SS**  cis-166.6-167.8-31.2-148.2-116.8-10400108.4
131G40.1Very low37.9Very low58 Ų58148.7 Ų148.760%0.59876%0.763SS**  trans106.9124.6176.100000114.2
132Q39.5Very low37.7Very low162 Ų162149.4 Ų149.476%0.75777%0.768SS**  cis71.3134.342.3-60-165.5-0.300114.1
133N41.1Very low37.4Very low107 Ų107150.2 Ų150.257%0.57277%0.767SS**  cis-155.3168.67.9-12419.9000113.7
134E40Very low37.3Very low157 Ų157150.5 Ų150.573%0.73477%0.767SS**  trans42.2108.5144.8-66.9165.7143.600120
135S34.7Very low36.8Very low112 Ų112149.2 Ų149.278%0.78377%0.767SS**  84.7109.764.774.60000116.6
136A39.3Very low36.4Very low108 Ų108149.3 Ų149.389%0.89378%0.775SS**  trans-156.3139.8159.200000112
137T35.1Very low36.2Very low137 Ų137148.1 Ų148.184%0.8478%0.783SS**  trans-82.2151.2-177.448.30000114.6
138T37.6Very low36Very low144 Ų144149.2 Ų149.288%0.88379%0.789SS**  trans-150.3148.3148.4-59.60000110.9
139E32.5Very low36Very low139 Ų139154.1 Ų154.165%0.6580%0.799SS**  trans-78.4178.1-174.9-46176.8111.700115.3
140R33.3Very low35.9Very low207 Ų207147.3 Ų147.378%0.78177%0.771SS**  trans83.1142.5159.8-60.6148.8-159.9-135.71114.5
141Q33.3Very low36.4Very low181 Ų181148.6 Ų148.685%0.84677%0.769SS**  cis-136.315412.2-129.4149.3-38.100110.8
142Y31.1Very low36.6Very low237 Ų237148 Ų14893%0.92975%0.752SS**PPolyproline II helixtrans-94.6125.2168.2-93.6-96.8000109.4
143D35.5Very low37.4Very low157 Ų157143.3 Ų143.384%0.8474%0.736SS**PPolyproline II helixtrans-82.8156.8167.6-89.5-53.7000112.2
144Q31.1Very low38.3Very low179 Ų179145.7 Ų145.784%0.83674%0.741SS**PPolyproline II helixtrans-78.2142.1-173.2-66.1177.7-26.200112.6Q146Q144-Q146 PolarHBondContact O-N 3Å
145P31.5Very low39.3Very low129 Ų129142.3 Ų142.384%0.83873%0.729SS**PPolyproline II helixtrans-70.5118.4160.430.3-31.3000109.3
146Q31.3Very low40.3Very low188 Ų188138.2 Ų138.288%0.87970%0.699SS**PPolyproline II helixtrans-75.6146.4176.5-164.8171.48.300110.8Q144 D148Q144-Q146 PolarHBondContact O-N 3Å; Q146-D148 PolarHBondContact O-N 2.68Å; Q146-D148 VanDerWaalsContact O-N 3.12Å
147D34.5Very low41.3Very low162 Ų162140.5 Ų140.587%0.86669%0.685SS**  trans-60111.5-173.6-77.3-70.4000113.6E149D147-E149 PolarHBondContact O-N 2.73Å
148D34.8Very low42.6Very low148 Ų148137.8 Ų137.879%0.79166%0.663SS**  trans-79.5111.1-177.8-149.28.3000110.4Q146 S150Q146-D148 PolarHBondContact O-N 2.68Å; Q146-D148 VanDerWaalsContact O-N 3.12Å; D148-S150 PolarHBondContact O-N 2.86Å
149E38.3Very low43.7Very low180 Ų180137 Ų13784%0.84165%0.649SS**  trans-61.3122.6-174.3-76.3-158.2108.100112.6D147 W151D147-E149 PolarHBondContact O-N 2.73Å; E149-W151 PolarHBondContact O-N 2.75Å
150S39.3Very low44.7Very low40 Ų40132.7 Ų132.728%0.2863%0.63SS.*  trans-70.8108.8-17972.40000111.4D148 L152 R157D148-S150 PolarHBondContact O-N 2.86Å; S150-L152 PolarHBondContact O-N 3.22Å; S150-R157 WeakPolarHBondContact OG-CD 3.49Å; S150-R157 PolarHBondContact OG-NE 3.39Å; S150-R157 PolarHBondContact OG-NH1 3.4Å; S150-R157 VanDerWaalsContact OG-NH1 3.08Å
151W51.3Low45.8Very low189 Ų189126.4 Ų126.472%0.71662%0.623SS**  trans-67.640.9176.439.3-78.4000113.7E149 R295E149-W151 PolarHBondContact O-N 2.75Å; W151-R295 VanDerWaalsContact NE1-NH2 3.13Å
152L44.6Very low47.1Very low46 Ų46124.4 Ų124.424%0.24161%0.611CS.*SBendtrans-119.4133.7178.2-72.7163.4000108.5S150 C156 R157 L160S150-L152 PolarHBondContact O-N 3.22Å; L152-C156 HydrophobicContact CB-CB 4.45Å; L152-C156 HydrophobicContact CD2-CB 4.09Å; L152-R157 HydrophobicContact CB-CB 4.44Å; L152-L160 HydrophobicContact CD1-CD1 3.64Å; L152-L160 HydrophobicContact CD2-CD1 4.19Å
153C54.4Low47.8Very low63 Ų63116.3 Ų116.343%0.42660%0.6SS.*  trans-60.8149.1169.277.50000109.8N155 C156 R157C153-N155 PolarHBondContact O-N 2.85Å; C153-N155 VanDerWaalsContact O-N 3.11Å; C153-C156 WeakPolarHBondContact O-CB 3.44Å; C153-C156 PolarHBondContact O-N 3.47Å; C153-R157 PolarHBondContact O-N 2.79Å; C153-R157 VanDerWaalsContact O-N 3.1Å
154K61.1Low48Very low156 Ų156117 Ų11768%0.67860%0.596SS**Hα-helixtrans-49.9-44.2-171.4-171.8176.9176.6-178.30112.8C156 R157 E158K154-C156 PolarHBondContact O-N 3.4Å; K154-R157 WeakPolarHBondContact O-CB 3Å; K154-R157 PolarHBondContact O-N 3.22Å; K154-R157 VanDerWaalsContact O-N 3.13Å; K154-E158 WeakPolarHBondContact CE-OE1 3.49Å; K154-E158 WeakPolarHBondContact CG-OE1 3.28Å; K154-E158 WeakPolarHBondContact O-CG 3.5Å; K154-E158 PolarHBondContact O-N 2.85Å
155N60.1Low48.1Very low87 Ų87111 Ų11147%0.46558%0.582SS.*Hα-helixtrans-57.8-42.5176.3-63.7-11.8000112.9C153 E158 E159C153-N155 PolarHBondContact O-N 2.85Å; C153-N155 VanDerWaalsContact O-N 3.11Å; N155-E158 PolarHBondContact O-N 3.38Å; N155-E159 WeakPolarHBondContact O-CB 3.43Å; N155-E159 VanDerWaalsContact O-CG 3.28Å; N155-E159 WeakPolarHBondContact O-CG 3.48Å; N155-E159 PolarHBondContact O-N 3.04Å
156C57.4Low48.3Very low25 Ų25115.1 Ų115.117%0.16959%0.587CS.*Hα-helixtrans-71.3-32177.3-69.70000112.9L152 C153 K154 E158 L160 C254L152-C156 HydrophobicContact CB-CB 4.45Å; L152-C156 HydrophobicContact CD2-CB 4.09Å; C153-C156 WeakPolarHBondContact O-CB 3.44Å; C153-C156 PolarHBondContact O-N 3.47Å; K154-C156 PolarHBondContact O-N 3.4Å; C156-E158 VanDerWaalsContact C-N 3.33Å; C156-L160 WeakPolarHBondContact O-CB 3.22Å; C156-L160 WeakPolarHBondContact O-CD1 3.43Å; C156-L160 WeakPolarHBondContact O-CG 3.45Å; C156-L160 PolarHBondContact O-N 2.93Å; C156-C254 PolarHBondContact SG-SG 2.7Å
157R58.9Low48.3Very low156 Ų156110.9 Ų110.959%0.58958%0.584SS**Hα-helixtrans-65.3-39.7173.1-163.9175.6-178170.90110.6S150 L152 C153 K154 A161S150-R157 WeakPolarHBondContact OG-CD 3.49Å; S150-R157 PolarHBondContact OG-NE 3.39Å; S150-R157 PolarHBondContact OG-NH1 3.4Å; S150-R157 VanDerWaalsContact OG-NH1 3.08Å; L152-R157 HydrophobicContact CB-CB 4.44Å; C153-R157 PolarHBondContact O-N 2.79Å; C153-R157 VanDerWaalsContact O-N 3.1Å; K154-R157 WeakPolarHBondContact O-CB 3Å; K154-R157 PolarHBondContact O-N 3.22Å; K154-R157 VanDerWaalsContact O-N 3.13Å; R157-A161 WeakPolarHBondContact O-CB 3.5Å; R157-A161 PolarHBondContact O-N 2.04Å
158E62.9Low48.2Very low80 Ų80109.1 Ų109.137%0.37458%0.584SS.*Hα-helixtrans-71.5-41175-69.9175.5-157.300113.5K154 N155 C156 L160 A161 K162K154-E158 WeakPolarHBondContact CE-OE1 3.49Å; K154-E158 WeakPolarHBondContact CG-OE1 3.28Å; K154-E158 WeakPolarHBondContact O-CG 3.5Å; K154-E158 PolarHBondContact O-N 2.85Å; N155-E158 PolarHBondContact O-N 3.38Å; C156-E158 VanDerWaalsContact C-N 3.33Å; E158-L160 VanDerWaalsContact C-N 3.35Å; E158-A161 PolarHBondContact O-N 3.26Å; E158-K162 WeakPolarHBondContact O-CD 3.27Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.25Å; E158-K162 PolarHBondContact O-N 3.42Å
159E59.8Low48.2Very low127 Ų127107.2 Ų107.259%0.59358%0.582SS**Hα-helixtrans-60.4-43.1172.7-73.8-70.5113.300111.5N155 K162 G163N155-E159 WeakPolarHBondContact O-CB 3.43Å; N155-E159 VanDerWaalsContact O-CG 3.28Å; N155-E159 WeakPolarHBondContact O-CG 3.48Å; N155-E159 PolarHBondContact O-N 3.04Å; E159-K162 PolarHBondContact O-N 2.88Å; E159-K162 IonicContact OE1-NZ 3.75Å; E159-G163 PolarHBondContact O-N 3.16Å
160L53.5Low48.1Very low50 Ų50106.6 Ų106.626%0.26259%0.585SS.*Hα-helixtrans-65.9-40.8175.2-78.9161000112.3L152 C156 E158 K162 G163 F164L152-L160 HydrophobicContact CD1-CD1 3.64Å; L152-L160 HydrophobicContact CD2-CD1 4.19Å; C156-L160 WeakPolarHBondContact O-CB 3.22Å; C156-L160 WeakPolarHBondContact O-CD1 3.43Å; C156-L160 WeakPolarHBondContact O-CG 3.45Å; C156-L160 PolarHBondContact O-N 2.93Å; E158-L160 VanDerWaalsContact C-N 3.35Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 2.59Å; L160-G163 PolarHBondContact O-N 2.84Å; L160-F164 HydrophobicContact CD2-CD2 4.35Å; L160-F164 HydrophobicContact CD2-CE2 3.99Å; L160-F164 WeakPolarHBondContact O-CD2 3.28Å; L160-F164 PolarHBondContact O-N 2.89Å; L160-F164 VanDerWaalsContact O-N 3.12Å
161A57.8Low48.1Very low75 Ų75110.3 Ų110.362%0.6261%0.611SS**Hα-helixtrans-61.7-35.6175.400000112.3R157 E158R157-A161 WeakPolarHBondContact O-CB 3.5Å; R157-A161 PolarHBondContact O-N 2.04Å; E158-A161 PolarHBondContact O-N 3.26Å
162K59.6Low47.3Very low139 Ų139111.2 Ų111.260%0.60462%0.62SS**Hα-helixtrans-71.8-43.8173.6-66.6162.5-166.3167.50111.9E158 E159 L160 F164 G165E158-K162 WeakPolarHBondContact O-CD 3.27Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.25Å; E158-K162 PolarHBondContact O-N 3.42Å; E159-K162 PolarHBondContact O-N 2.88Å; E159-K162 IonicContact OE1-NZ 3.75Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 2.59Å; K162-F164 VanDerWaalsContact C-N 3.3Å; K162-F164 PolarHBondContact O-N 3.11Å; K162-G165 PolarHBondContact O-N 2.71Å
163G45.7Very low47.1Very low67 Ų67114.4 Ų114.469%0.69165%0.646SS**Hα-helixtrans-71.9-13.3-176.700000116E159 L160E159-G163 PolarHBondContact O-N 3.16Å; L160-G163 PolarHBondContact O-N 2.84Å
164F40.8Very low46.4Very low172 Ų172117.7 Ų117.775%0.75467%0.666SS**THydrogen-bonded Turntrans-99.98.9175.5-87.8-94.9000113.9L160 K162L160-F164 HydrophobicContact CD2-CD2 4.35Å; L160-F164 HydrophobicContact CD2-CE2 3.99Å; L160-F164 WeakPolarHBondContact O-CD2 3.28Å; L160-F164 PolarHBondContact O-N 2.89Å; L160-F164 VanDerWaalsContact O-N 3.12Å; K162-F164 VanDerWaalsContact C-N 3.3Å; K162-F164 PolarHBondContact O-N 3.11Å
165G32.3Very low45.7Very low53 Ų53116.3 Ų116.355%0.54668%0.676SS.*  trans-84.2126-179.300000114.7K162K162-G165 PolarHBondContact O-N 2.71Å
166K37.1Very low44.7Very low215 Ų215119 Ų11994%0.93569%0.691SS**  trans64.787.4164.3-58.4-176.2178.5-176.70117.2
167A30.8Very low44.2Very low99 Ų99125 Ų12582%0.81872%0.721SS**  trans-133.7132.4154.300000110.8
168S31.5Very low43.4Very low125 Ų125125 Ų12587%0.87473%0.728SS**SBendtrans60.275.3163.1-171.70000119.4
169S34.6Very low42.7Very low108 Ų108126.1 Ų126.176%0.75575%0.745SS**  trans-160.29614160.90000111.1
170D37.7Very low41.9Very low167 Ų167128.2 Ų128.289%0.89376%0.76SS**  trans174.9116.9144.1-92.4-21.7000110.2
171S37.5Very low41.4Very low118 Ų118129 Ų12983%0.82578%0.779SS**  trans-87115.2-176.852.60000111.8
172K35.9Very low41Very low207 Ų207133 Ų13390%0.979%0.79SS**  trans-82.3115.6169.8-78-173.1174.2-175.90111.5
173S39.4Very low40.5Very low113 Ų113134.6 Ų134.679%0.7980%0.799SS**  trans-89.6131.8154.4-63.80000109.2
174P39.5Very low40.6Very low132 Ų132138.3 Ų138.386%0.85780%0.799SS**  trans-90.6133.4177.133.6-31.5000111.9
175S47.7Very low40.8Very low127 Ų127134.4 Ų134.489%0.88879%0.791SS**  trans-132144.1154.356.40000108.6
176N38.6Very low41.3Very low143 Ų143141.4 Ų141.477%0.76581%0.806SS**  trans-122.3128.9-167.3175.552.4000108.8
177D47.5Very low42Very low151 Ų151140.2 Ų140.281%0.80780%0.801SS**  trans-154166159.3-133.5-35000113.2
178Q42.1Very low42.7Very low158 Ų158144.4 Ų144.474%0.73880%0.801SS**  trans-107.3151.8-153.2-52.6175.54.400114.3
179S46.6Very low43.2Very low103 Ų103143 Ų14372%0.7279%0.791SS**  148.2127.7108.561.30000117.4
180N43.3Very low43.6Very low171 Ų171145.8 Ų145.891%0.91479%0.792SS**  trans49.1134.1135-55.6-12.7000125.1
181G43.3Very low43.9Very low65 Ų65147 Ų14767%0.6779%0.789SS**  trans142.4106160.400000112.7
182L49.9Very low44.1Very low160 Ų160148.6 Ų148.684%0.83879%0.788SS**  62.4134.675.5-59.5164.7000112.9
183E49.1Very low45.1Very low172 Ų172143.6 Ų143.680%0.80478%0.777SS**  cis-168.8173.5-6.2-120.7-179.5133.300107.4
184E47Very low45.4Very low145 Ų145147 Ų14768%0.67878%0.78SS**  cis-154.6153.5-4.5-176.6-89.1167.800108
185P46.1Very low45.6Very low91 Ų91143.6 Ų143.659%0.59177%0.769SS**  trans-121.2160.9-170.742.7-32.8000118.8
186K42.4Very low45.7Very low199 Ų199145 Ų14587%0.86577%0.766SS**  trans71.1128.5161.4-62.4171.4177.8173.30119.8
187K50.6Low46.3Very low190 Ų190145.3 Ų145.383%0.82677%0.768SS**  trans-141.2127.4149.6-74-176.3-178.4159.10114.1
188K47.3Very low46.3Very low187 Ų187146.5 Ų146.581%0.81377%0.768SS**  trans36.3132.3133.3-53.2-180-176.9-175.80119.6
189S41.5Very low46.9Very low96 Ų96143.7 Ų143.767%0.67176%0.764SS**  cis99.2134.220.679.70000117.4
190H43.5Very low47Very low166 Ų166144.7 Ų144.777%0.76976%0.761SS**  trans90128.5151.1-88.2-57.5000124
191K43.1Very low47.3Very low192 Ų192144.3 Ų144.384%0.83575%0.754SS**  trans106.6110.9132.1-81.1173.5-179.1-1730122.4
192N42.6Very low47.6Very low152 Ų152147.5 Ų147.581%0.81376%0.76SS**  trans-52.7163.9145-92.712.3000112.9
193P55.6Low47.2Very low102 Ų102143.8 Ų143.866%0.66276%0.76SS**  -161.3177.673.344.4-22.7000120.9
194H47Very low47.4Very low184 Ų184139.5 Ų139.585%0.85276%0.762SS**  trans63.7148.8163-61.7-67.1000119.6
195G43.3Very low47.4Very low62 Ų62142 Ų14264%0.63977%0.774SS**  cis163.1161.9-11.600000114
196L49.1Very low47.8Very low156 Ų156145.9 Ų145.982%0.81779%0.788SS**  trans62.9153.7156.5-58.9176.9000118.4
197D51.6Low48.3Very low149 Ų149148.2 Ų148.280%0.79779%0.791SS**  cis-138175.412.2-95-54.5000113.3
198E47.9Very low49.1Very low176 Ų176144.5 Ų144.582%0.82279%0.789SS**  trans-94.6-159.5178.3-120.4-171.1143.900111.9
199P53.8Low49.9Very low100 Ų100141.1 Ų141.165%0.64979%0.786SS**  cis-143.3-1789.942.1-21.1000118.6
200N49Very low50.9Low124 Ų124142.6 Ų142.666%0.66379%0.794SS**  trans71151.1141.2-9231000121.1
201E48.8Very low51.9Low162 Ų162141.1 Ų141.176%0.75780%0.797SS**  cis-163.8179.3-0.8-151.2168.7-179.100113.4
202V50.2Low53Low133 Ų133137.7 Ų137.781%0.80679%0.794SS**  trans76.897.5161.3-163.60000121
203G42Very low54.1Low81 Ų81139.8 Ų139.884%0.83580%0.799SS**  94.4124.5105.100000121.4
204G54Low54.4Low82 Ų82144.1 Ų144.185%0.84581%0.81SS**  trans164.897.1163.700000114.8
205Q45.6Very low55.6Low198 Ų198142.8 Ų142.893%0.92581%0.809SS**  trans-99.5128.5175.9-71.6-175.2-3.600112.3
206I54.9Low57.2Low173 Ų173145 Ų14589%0.88781%0.812SS**  trans-135.9141.6158.3-59-177.4000107.9
207R53.1Low58.6Low247 Ų247143 Ų14393%0.93281%0.808SS**PPolyproline II helixtrans-88.6140.2-175.6-69.2176.5170.4-179.8-5112.4
208S66.6Low59.8Low112 Ų112141.4 Ų141.478%0.78381%0.806SS**PPolyproline II helixtrans-87.8150.8164.6-56.10000111.8
209P64.1Low61.1Low116 Ų116138.6 Ų138.675%0.75380%0.803SS**PPolyproline II helixtrans-75.9160.4168.533.3-35000111.9
210P62.6Low61.8Low128 Ų128138.9 Ų138.983%0.83181%0.805SS**PPolyproline II helixtrans-80.2142.1-176.932-35.1000113.5
211T66Low62.5Low135 Ų135138.3 Ų138.383%0.82881%0.808SS**PPolyproline II helixtrans-81.4143.51679.40000111.3
212P64.8Low62.8Low119 Ų119138.1 Ų138.177%0.77381%0.811SS**PPolyproline II helixtrans-75.9168.5171.632.5-35000112.6
213E67Low62.6Low197 Ų197141 Ų14192%0.92181%0.813SS**PPolyproline II helixtrans-59.5140.6-162.1-65.8157.7106.500116.3
214E61.9Low62.9Low192 Ų192144.9 Ų144.990%0.89781%0.812SS**PPolyproline II helixtrans-93.9124.7173.5-168.3176157.500109.9
215L71.3Confident62.5Low156 Ų156149.7 Ų149.782%0.81781%0.812SS**PPolyproline II helixtrans-73.7144.5-179.6-79.1165.8000111.7
216P77.2Confident62.4Low109 Ų109147.4 Ų147.471%0.70881%0.806SS**PPolyproline II helixtrans-66.5146.1178.528.5-35000111.7
217P78.5Confident61.7Low113 Ų113146.2 Ų146.273%0.73480%0.801SS**PPolyproline II helixtrans-68.3149.8179.828.8-35.4000112
218P77.6Confident61Low116 Ų116141.4 Ų141.475%0.75380%0.8SS**PPolyproline II helixtrans-66149174.329.2-35.1000111.3
219P73.9Confident59.6Low117 Ų117138.5 Ų138.576%0.7679%0.787SS**PPolyproline II helixtrans-66.1148.4177.528.5-35000111.5
220P68.4Low58Low106 Ų106139.3 Ų139.369%0.68879%0.793SS**PPolyproline II helixtrans-66.8148.4176.429.3-35.2000111.1L222P220-L222 PolarHBondContact O-N 3.35Å
221P63.7Low56.7Low112 Ų112141.8 Ų141.873%0.72780%0.798SS**PPolyproline II helixtrans-65.4119.417427.5-33.2000109.9F223P221-F223 PolarHBondContact O-N 3.14Å; P221-F223 VanDerWaalsContact O-N 3.09Å
222L56.3Low55.2Low159 Ų159144 Ų14483%0.83280%0.799SS**  trans-69.3103.7171.6-73.5169.6000109.2P220 M224P220-L222 PolarHBondContact O-N 3.35Å; L222-M224 PolarHBondContact O-N 3.36Å
223F45.4Very low53.5Low194 Ų194148.2 Ų148.285%0.85181%0.805SS**  trans-67.1120.7151.6-76.8-96000107.5P221P221-F223 PolarHBondContact O-N 3.14Å; P221-F223 VanDerWaalsContact O-N 3.09Å
224M49.2Very low52Low162 Ų162144.7 Ų144.780%0.79880%0.802SS**  trans-124.2147155-72.1-158.968.900108L222L222-M224 PolarHBondContact O-N 3.36Å
225E43.8Very low50.4Low182 Ų182140.8 Ų140.885%0.8579%0.792SS**  trans-89.5-150.7-171.2-65.9161.9103.200110.5
226D44.5Very low48.6Very low151 Ų151141.2 Ų141.281%0.80780%0.795SS**  trans80.786.3-178.2-51.8-22.1000113.9
227D39.5Very low46.7Very low147 Ų147141.8 Ų141.879%0.78680%0.802SS**  82.299.266.8-169.520.8000113.1
228V39.8Very low44.6Very low147 Ų147141.6 Ų141.689%0.89180%0.803SS**  trans-137.2105.8165.9-178.10000106.9
229G36.6Very low42.6Very low51 Ų51143.8 Ų143.853%0.52681%0.808SS.*  trans-72.7176.7-167.800000116.7
230P29.9Very low40.8Very low133 Ų133143.4 Ų143.486%0.86481%0.808SS**PPolyproline II helixtrans-72.6131-178.930.7-34.4000111.4
231L35.2Very low39.5Very low179 Ų179147.2 Ų147.294%0.93782%0.817SS**PPolyproline II helixtrans-95130.9175-122.3161.9000110.5
232E35.7Very low38.3Very low182 Ų182145.1 Ų145.185%0.8582%0.816SS**PPolyproline II helixtrans-77.8160.7-163.7-59.7-177.1115.400114.5
233F28.5Very low37.4Very low207 Ų207143.4 Ų143.491%0.90881%0.814SS**PPolyproline II helixtrans-67.9136.7173.1-80.2-102.6000111.6
234S34.9Very low37.1Very low123 Ų123139.4 Ų139.486%0.8681%0.808SS**  trans-125.5100.4159.3-158.80000110
235T29.6Very low36.4Very low111 Ų111139.6 Ų139.668%0.68181%0.812SS**  trans-86.9125.7174.750.20000110.4
236N33Very low36Very low164 Ų164138.7 Ų138.788%0.87781%0.812SS**  trans-171.7100.4154.6-100-28.8000112.8
237S36.3Very low35.6Very low122 Ų122138.1 Ų138.185%0.85381%0.805SS**  trans170.5122.5138.657.30000109.6
238S34.7Very low35.1Very low108 Ų108135.2 Ų135.276%0.75580%0.801SS**  trans-59.1141.2171.3-46.60000111.5
239D36.8Very low34.9Very low162 Ų162132.3 Ų132.387%0.86678%0.778SS**  -167.4162.8101.7-98.8-21000114.2E241D239-E241 PolarHBondContact O-N 2.86Å
240S34.5Very low34.7Very low109 Ų109134 Ų13476%0.76278%0.778SS**  trans-50.5119.1-175.6167.10000116
241E42.1Very low35.1Very low186 Ų186135.5 Ų135.587%0.86977%0.766SS**  -166.6154112.2-103.8179.5166.400111.2D239D239-E241 PolarHBondContact O-N 2.86Å
242G37.5Very low35.1Very low68 Ų68133.9 Ų133.970%0.70175%0.748SS**PPolyproline II helixtrans-78.1143.8-170.800000114.2
243P38.8Very low35.2Very low124 Ų124132.7 Ų132.781%0.80574%0.737SS**PPolyproline II helixtrans-69.8144.2-179.729.7-35.2000111.9
244P38.2Very low36.3Very low110 Ų110124 Ų12471%0.71470%0.701SS**PPolyproline II helixtrans-72.1142.6174.430.5-34.6000111.5L246P244-L246 PolarHBondContact O-N 3.3Å; P244-L246 VanDerWaalsContact O-N 3.14Å
245D35.4Very low37Very low166 Ų166121.6 Ų121.689%0.88870%0.696SS**  trans-61.2111.2177.8-126-25.6000111.1E247D245-E247 PolarHBondContact O-N 2.99Å
246L34Very low37.9Very low163 Ų163124.9 Ų124.985%0.85370%0.701SS**  trans-89.379.2-180-81.7167.1000110.7P244 A248P244-L246 PolarHBondContact O-N 3.3Å; P244-L246 VanDerWaalsContact O-N 3.14Å; L246-A248 PolarHBondContact O-N 2.92Å
247E35.7Very low39.3Very low139 Ų139119.5 Ų119.565%0.6568%0.676SS**  trans-61.397.4166.8-80.5-162.6119.800110.6D245 E249 T265D245-E247 PolarHBondContact O-N 2.99Å; E247-E249 PolarHBondContact O-N 3.37Å; E247-E249 VanDerWaalsContact O-N 3.08Å; E247-T265 WeakPolarHBondContact OE1-CB 3.25Å; E247-T265 VanDerWaalsContact OE1-CG2 3.3Å; E247-T265 WeakPolarHBondContact OE1-CG2 3.42Å; E247-T265 PolarHBondContact OE1-OG1 3.33Å
248A30.8Very low39.9Very low85 Ų85115.6 Ų115.670%0.70266%0.655SS**  trans-67.7104.317500000110.9L246 V250L246-A248 PolarHBondContact O-N 2.92Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 PolarHBondContact O-N 2.88Å
249E35.4Very low40.2Very low87 Ų87114.1 Ų114.141%0.40764%0.641SS.*  trans-70.382.6177.3-169.4-171.2-139.700111.2E247 R251 R262E247-E249 PolarHBondContact O-N 3.37Å; E247-E249 VanDerWaalsContact O-N 3.08Å; E249-R251 HydrophobicContact CG-CG 4.27Å; E249-R251 PolarHBondContact O-N 2.78Å; E249-R251 IonicContact OE2-CZ 2.68Å; E249-R251 IonicContact OE2-NE 3.94Å; E249-R251 PolarHBondContact OE2-NE 3.13Å; E249-R251 IonicContact OE2-NH2 3.56Å; E249-R251 PolarHBondContact OE2-NH2 3.1Å; E249-R262 IonicContact OE1-CZ 3.16Å; E249-R262 IonicContact OE1-NE 2.71Å; E249-R262 PolarHBondContact OE1-NE 2.96Å; E249-R262 IonicContact OE1-NH2 2.7Å; E249-R262 PolarHBondContact OE1-NH2 3.33Å
250V31.1Very low40.2Very low87 Ų87111.7 Ų111.753%0.52763%0.627SS.*  trans-69.199.3176.8-172.60000110.3A248 Y252A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 PolarHBondContact O-N 2.88Å; V250-Y252 HydrophobicContact CB-CE2 4.39Å; V250-Y252 HydrophobicContact CG1-CD2 4.07Å; V250-Y252 HydrophobicContact CG1-CE2 3.49Å; V250-Y252 VanDerWaalsContact CG1-CE2 3.49Å
251R38.4Very low40.6Very low163 Ų163111.7 Ų111.762%0.61561%0.611SS**  trans-84.7121.4175.2-61.8179-174174.14.7110.2E249 L260E249-R251 HydrophobicContact CG-CG 4.27Å; E249-R251 PolarHBondContact O-N 2.78Å; E249-R251 IonicContact OE2-CZ 2.68Å; E249-R251 IonicContact OE2-NE 3.94Å; E249-R251 PolarHBondContact OE2-NE 3.13Å; E249-R251 IonicContact OE2-NH2 3.56Å; E249-R251 PolarHBondContact OE2-NH2 3.1Å; R251-L260 HydrophobicContact CB-CD2 4.06Å
252Y35.4Very low40.3Very low145 Ų145112.2 Ų112.257%0.56961%0.605SS**EExtended strand (participates in β ladder)trans-96131.4171.5-76.3-91.2000110.7V250 R261V250-Y252 HydrophobicContact CB-CE2 4.39Å; V250-Y252 HydrophobicContact CG1-CD2 4.07Å; V250-Y252 HydrophobicContact CG1-CE2 3.49Å; V250-Y252 VanDerWaalsContact CG1-CE2 3.49Å; Y252-R261 PolarHBondContact O-N 3.37Å; Y252-R261 VanDerWaalsContact O-N 3.14Å
253Y39Very low40.1Very low158 Ų158118 Ų11862%0.6261%0.605SS**EExtended strand (participates in β ladder)trans-107.9125.1-179.7-172.5-101.5000111.6G255 L260Y253-G255 PolarHBondContact O-N 2.77Å; Y253-G255 VanDerWaalsContact O-N 3.16Å; Y253-L260 HydrophobicContact CD2-CG 4.27Å
254C51.6Low39.7Very low23 Ų23117.6 Ų117.616%0.15560%0.603CS.*  trans-78.892.6174.9-178.60000111.4C156 K256 C257 G258 V259C156-C254 PolarHBondContact SG-SG 2.7Å; C254-K256 PolarHBondContact O-N 2.97Å; C254-C257 HydrophobicContact CB-CB 4.25Å; C254-C257 WeakPolarHBondContact CB-SG 3.37Å; C254-C257 PolarHBondContact O-N 2.86Å; C254-C257 WeakPolarHBondContact SG-CB 3.36Å; C254-C257 PolarHBondContact SG-N 3.5Å; C254-C257 CovalentContact SG-SG 2.04Å; C254-C257 PolarHBondContact SG-SG 2.9Å; C254-G258 PolarHBondContact O-N 3.11Å; C254-V259 HydrophobicContact CB-CB 4.36Å; C254-V259 WeakPolarHBondContact CB-O 3.48Å; C254-V259 PolarHBondContact N-O 3Å
255G49Very low39.6Very low73 Ų73117 Ų11775%0.75360%0.597SS**THydrogen-bonded Turntrans-60-5178.600000116.5Y253Y253-G255 PolarHBondContact O-N 2.77Å; Y253-G255 VanDerWaalsContact O-N 3.16Å
256K49.1Very low39.5Very low181 Ų181120.7 Ų120.779%0.78760%0.599SS**THydrogen-bonded Turntrans-112.8-2.9173.4-68.1-177.2178.2176.10114.3C254C254-K256 PolarHBondContact O-N 2.97Å
257C61.6Low39.5Very low51 Ų51124 Ų12435%0.34560%0.6SS.*THydrogen-bonded Turntrans-1542.1-172.174.40000116.4C254 V259C254-C257 HydrophobicContact CB-CB 4.25Å; C254-C257 WeakPolarHBondContact CB-SG 3.37Å; C254-C257 PolarHBondContact O-N 2.86Å; C254-C257 WeakPolarHBondContact SG-CB 3.36Å; C254-C257 PolarHBondContact SG-N 3.5Å; C254-C257 CovalentContact SG-SG 2.04Å; C254-C257 PolarHBondContact SG-SG 2.9Å; C257-V259 PolarHBondContact O-N 3.34Å
258G48.3Very low39.4Very low39 Ų39122.9 Ų122.940%0.40261%0.607SS.*  trans69.6-14.8175.900000116.2C254 L260C254-G258 PolarHBondContact O-N 3.11Å; G258-L260 PolarHBondContact O-N 2.79Å
259V41Very low39.5Very low77 Ų77127 Ų12747%0.46761%0.612SS.*  trans-63.1110.3-176.3-177.30000111.3C254 C257C254-V259 HydrophobicContact CB-CB 4.36Å; C254-V259 WeakPolarHBondContact CB-O 3.48Å; C254-V259 PolarHBondContact N-O 3Å; C257-V259 PolarHBondContact O-N 3.34Å
260L37.3Very low39.5Very low111 Ų111128 Ų12858%0.58163%0.628SS**EExtended strand (participates in β ladder)trans-73.5125.3165.5-92.1158.7000110.1R251 Y253 G258R251-L260 HydrophobicContact CB-CD2 4.06Å; Y253-L260 HydrophobicContact CD2-CG 4.27Å; G258-L260 PolarHBondContact O-N 2.79Å
261R43.6Very low39.5Very low110 Ų110129.6 Ų129.642%0.41564%0.638SS.*EExtended strand (participates in β ladder)trans-104.8122.4169.9-83.9-173.7158.5-147.5-7.7111.3Y252Y252-R261 PolarHBondContact O-N 3.37Å; Y252-R261 VanDerWaalsContact O-N 3.14Å
262R34.7Very low39.4Very low197 Ų197130.8 Ų130.874%0.74365%0.65SS**PPolyproline II helixtrans-76132.6153.9-83.4-177.2154.6164.6-5.1109.1E249E249-R262 IonicContact OE1-CZ 3.16Å; E249-R262 IonicContact OE1-NE 2.71Å; E249-R262 PolarHBondContact OE1-NE 2.96Å; E249-R262 IonicContact OE1-NH2 2.7Å; E249-R262 PolarHBondContact OE1-NH2 3.33Å
263R34.2Very low39.2Very low188 Ų188128.7 Ų128.771%0.70965%0.653SS**PPolyproline II helixtrans-96.1126.2168.1-163.8-178.8-162.7175.86.4107.5T265R263-T265 PolarHBondContact O-N 2.99Å
264P30.9Very low39.1Very low116 Ų116128.3 Ų128.375%0.75366%0.662SS**PPolyproline II helixtrans-63.4128.9167-16.830.3000108.6R266P264-R266 PolarHBondContact O-N 2.88Å
265T34.6Very low38.2Very low97 Ų97131.5 Ų131.560%0.59568%0.684SS**PPolyproline II helixtrans-64.1121.1165.822.50000108.3E247 R263 R267E247-T265 WeakPolarHBondContact OE1-CB 3.25Å; E247-T265 VanDerWaalsContact OE1-CG2 3.3Å; E247-T265 WeakPolarHBondContact OE1-CG2 3.42Å; E247-T265 PolarHBondContact OE1-OG1 3.33Å; R263-T265 PolarHBondContact O-N 2.99Å; T265-R267 PolarHBondContact O-N 3.39Å; T265-R267 VanDerWaalsContact O-N 3.11Å
266R33.9Very low37.6Very low245 Ų245134.3 Ų134.393%0.92568%0.682SS**  trans-68.5108.3172.4-109.3-173.9173.1-176-2.8107.1P264 S268P264-R266 PolarHBondContact O-N 2.88Å; R266-S268 PolarHBondContact O-N 3.01Å; R266-S268 VanDerWaalsContact O-N 3.16Å
267R33.6Very low37.1Very low233 Ų233133 Ų13388%0.87968%0.684SS**  trans-58.8118.4158.9-92.1-172.8166.2-163.6-6.2107.9T265 E269T265-R267 PolarHBondContact O-N 3.39Å; T265-R267 VanDerWaalsContact O-N 3.11Å; R267-E269 PolarHBondContact O-N 3.18Å
268S35Very low36Very low114 Ų114136.3 Ų136.380%0.79770%0.704SS**  trans-75.698.3163.549.10000107.9R266 S270R266-S268 PolarHBondContact O-N 3.01Å; R266-S268 VanDerWaalsContact O-N 3.16Å; S268-S270 PolarHBondContact O-N 2.85Å; S268-S270 VanDerWaalsContact O-N 3.1Å
269E32.6Very low35.7Very low171 Ų171140.7 Ų140.780%0.79972%0.723SS**  trans-69.3105.3170.2-67.7-175.2150.800108.7R267 V271R267-E269 PolarHBondContact O-N 3.18Å; E269-V271 PolarHBondContact O-N 3.5Å; E269-V271 VanDerWaalsContact O-N 3.09Å
270S35.1Very low35.9Very low108 Ų108145.6 Ų145.676%0.75574%0.738SS**  trans-71.3100175.653.80000109.4S268 H272S268-S270 PolarHBondContact O-N 2.85Å; S268-S270 VanDerWaalsContact O-N 3.1Å; S270-H272 PolarHBondContact O-N 3.28Å; S270-H272 VanDerWaalsContact O-N 3.09Å
271V30Very low36Very low122 Ų122148.2 Ų148.274%0.73975%0.752SS**  trans-65.2107.6176.2178.70000109.9E269 T273E269-V271 PolarHBondContact O-N 3.5Å; E269-V271 VanDerWaalsContact O-N 3.09Å; V271-T273 HydrophobicContact CG1-CG2 4.23Å
272H38.2Very low35.9Very low187 Ų187145.9 Ų145.987%0.86676%0.762SS**  trans-130.7129.1155.4-88.6-58.9000109.3S270S270-H272 PolarHBondContact O-N 3.28Å; S270-H272 VanDerWaalsContact O-N 3.09Å
273T31Very low36.3Very low102 Ų102142.4 Ų142.463%0.62677%0.766SS**  trans-106172.2-175.358.40000111.2V271V271-T273 HydrophobicContact CG1-CG2 4.23Å
274N35.3Very low36.9Very low150 Ų150139.1 Ų139.180%0.80277%0.768SS**  trans82.3142.4170.6-43.7-3.3000115.3
275S33.4Very low37.3Very low89 Ų89139.4 Ų139.462%0.62277%0.771SS**  cis-163.9171.9-26.356.40000109.8
276D37.4Very low37.2Very low132 Ų132143.2 Ų143.271%0.70679%0.787SS**  trans57.193.3153.8-45.7-44.5000120.1
277N38Very low37Very low155 Ų155135.1 Ų135.183%0.82978%0.78SS**  176.7141.1100.8-97.2-75.5000113.3
278P38.1Very low36.7Very low119 Ų119129.3 Ų129.377%0.77378%0.775SS**  trans-111.2120.1178.836.6-27.1000114.4
279V41.1Very low36.3Very low131 Ų131133.8 Ų133.879%0.79478%0.781SS**  trans-137.7104.1170.5-175.50000113.5
280K45.3Very low36Very low181 Ų181130.6 Ų130.679%0.78778%0.777SS**  trans43.2109.5146.7-65.8-178.8176.5178.10121.1
281N40Very low35.6Very low165 Ų165134.5 Ų134.588%0.88278%0.781SS**  56.179.9118.6-5511.1000118.7
282G41.9Very low35.3Very low61 Ų61134.4 Ų134.463%0.62978%0.775SS**  trans-131.3146.8145.600000109.2
283P42.7Very low34.7Very low125 Ų125136 Ų13681%0.81278%0.775SS**PPolyproline II helixtrans-66.9128.9175.527.8-32.9000109.8
284P46.2Very low34.4Very low118 Ų118139.4 Ų139.477%0.76678%0.778SS**PPolyproline II helixtrans-67.9144.817728.5-34000110.6
285P39.2Very low33.9Very low123 Ų123140.2 Ų140.280%0.79977%0.77SS**PPolyproline II helixtrans-72.1152.7-176.829.8-35.5000112.7G287P285-G287 PolarHBondContact O-N 3.47Å; P285-G287 VanDerWaalsContact O-N 3.17Å
286N33.6Very low33.5Very low177 Ų177142.6 Ų142.695%0.94777%0.774SS**SBendtrans-51.3116.2175.3-66.4-24.8000111.6
287G28.5Very low32.9Very low75 Ų75145.8 Ų145.877%0.77378%0.782SS**  trans177.736.2-174.900000118.4P285P285-G287 PolarHBondContact O-N 3.47Å; P285-G287 VanDerWaalsContact O-N 3.17Å
288S27.5Very low32.4Very low111 Ų111146.3 Ų146.378%0.77678%0.777SS**  trans-12884.1178.351.50000113.5S290S288-S290 PolarHBondContact O-N 2.98Å
289F27.3Very low31.9Very low208 Ų208148.6 Ų148.691%0.91278%0.78SS**  trans-67.998.1165.2-87-86.8000110.4K291F289-K291 PolarHBondContact O-N 2.77Å
290S27Very low31.3Very low103 Ų103148 Ų14872%0.7277%0.772SS**  trans-64.6111168.432.50000110S288 L292S288-S290 PolarHBondContact O-N 2.98Å; S290-L292 PolarHBondContact O-N 3.01Å
291K25.5Very low30.5Very low191 Ų191145.5 Ų145.583%0.8377%0.767SS**  trans-69.789.5177.2-75-175.1175.4-179.50111.2F289 Y293F289-K291 PolarHBondContact O-N 2.77Å; K291-Y293 PolarHBondContact O-N 3.34Å
292L24.2Very low30Very low120 Ų120141.7 Ų141.763%0.62876%0.759SS**  trans-65.4110.1169.9-86.2158.1000110.8S290 Y294S290-L292 PolarHBondContact O-N 3.01Å; L292-Y294 HydrophobicContact CB-CD2 3.96Å; L292-Y294 HydrophobicContact CB-CE2 3.59Å; L292-Y294 HydrophobicContact CD1-CE2 4Å; L292-Y294 HydrophobicContact CD2-CE2 4.37Å; L292-Y294 HydrophobicContact CG-CE2 4.19Å; L292-Y294 PolarHBondContact O-N 3.17Å; L292-Y294 VanDerWaalsContact O-N 3.14Å
293Y25.1Very low29.4Very low221 Ų221147 Ų14787%0.86777%0.765SS**  trans-80.383.9172.5-93.9-91.2000110.5K291 R295K291-Y293 PolarHBondContact O-N 3.34Å; Y293-R295 PolarHBondContact O-N 3.12Å
294Y26Very low28.9Very low172 Ų172148.9 Ų148.968%0.67576%0.763SS**  trans-72.9110.4173.4-76.3-71.9000111.9L292 L296L292-Y294 HydrophobicContact CB-CD2 3.96Å; L292-Y294 HydrophobicContact CB-CE2 3.59Å; L292-Y294 HydrophobicContact CD1-CE2 4Å; L292-Y294 HydrophobicContact CD2-CE2 4.37Å; L292-Y294 HydrophobicContact CG-CE2 4.19Å; L292-Y294 PolarHBondContact O-N 3.17Å; L292-Y294 VanDerWaalsContact O-N 3.14Å; Y294-L296 PolarHBondContact O-N 3.22Å
295R24.3Very low28.2Very low168 Ų168154 Ų15463%0.63477%0.767SS**  trans-87.988.8176.1-175.7179.6176.4-161-4.9109.8W151 Y293 K297W151-R295 VanDerWaalsContact NE1-NH2 3.13Å; Y293-R295 PolarHBondContact O-N 3.12Å; R295-K297 PolarHBondContact O-N 2.98Å; R295-K297 VanDerWaalsContact O-N 3.08Å
296L25.6Very low27.9Very low138 Ų138159.2 Ų159.272%0.72377%0.772SS**  trans-60.5109.6179.6-80163.5000112Y294 F298Y294-L296 PolarHBondContact O-N 3.22Å; L296-F298 HydrophobicContact CB-CD2 4.26Å; L296-F298 HydrophobicContact CB-CE2 4.19Å; L296-F298 HydrophobicContact CD1-CE2 4.35Å; L296-F298 HydrophobicContact CD2-CE2 4Å; L296-F298 HydrophobicContact CD2-CZ 4.48Å; L296-F298 HydrophobicContact CG-CE2 4.42Å
297K24.6Very low28Very low200 Ų200159.8 Ų159.887%0.8777%0.769SS**  trans-95.787.3175.5-175.4-175.2179.4-176.80109.2R295R295-K297 PolarHBondContact O-N 2.98Å; R295-K297 VanDerWaalsContact O-N 3.08Å
298F27.3Very low28.5Very low165 Ų165162.2 Ų162.272%0.72477%0.771SS**  trans-80.4149.9172.2-83.6-75000112L296L296-F298 HydrophobicContact CB-CD2 4.26Å; L296-F298 HydrophobicContact CB-CE2 4.19Å; L296-F298 HydrophobicContact CD1-CE2 4.35Å; L296-F298 HydrophobicContact CD2-CE2 4Å; L296-F298 HydrophobicContact CD2-CZ 4.48Å; L296-F298 HydrophobicContact CG-CE2 4.42Å
299M26.5Very low29Very low167 Ų167162 Ų16282%0.82378%0.777SS**  trans-70.6133.8-165.4-58.9178.8-67.800112.6
300N28.1Very low29.3Very low119 Ų119155.2 Ų155.264%0.63677%0.765SS**  trans-118.7-4.1169.3-147.29.1000112.4A302N300-A302 PolarHBondContact O-N 3.08Å
301D28.9Very low30Very low128 Ų128159.5 Ų159.568%0.68477%0.773SS**THydrogen-bonded Turntrans-73.8-8.9-173.4-53.4-56.4000113.9
302A29.1Very low30.6Very low85 Ų85155.9 Ų155.970%0.70277%0.769SS**THydrogen-bonded Turntrans-79.1-16.5-18000000114.2N300N300-A302 PolarHBondContact O-N 3.08Å
303F31Very low31.2Very low173 Ų173160.5 Ų160.576%0.75978%0.778SS**SBendtrans-105.92.9-172.7-84-80.4000115.3
304Q31.1Very low32.2Very low165 Ų165158 Ų15877%0.77178%0.78SS**SBendtrans-102.426.9-177.7-67-167.1-11.200114.7
305R32.6Very low32.9Very low225 Ų225158.2 Ų158.285%0.84979%0.787SS**  trans-134.455.3-177.6-66.4-167.9179.8-162.30.7114.4
306Y31.9Very low33.5Very low233 Ų233153.6 Ų153.691%0.91479%0.792SS**  trans-147.170.2165.6-107.2-78.6000111.4
307E36.3Very low34.2Very low188 Ų188154.3 Ų154.388%0.87980%0.796SS**  trans-92.8121.3160-75.9-163.5135.300109.7A309E307-A309 PolarHBondContact O-N 3.05Å
308P39.1Very low34.7Very low127 Ų127151.5 Ų151.583%0.82579%0.791SS**  trans-78110.3168.230.5-31000109.7G310P308-G310 PolarHBondContact O-N 3.08Å
309A37.3Very low35.2Very low107 Ų107150.9 Ų150.988%0.88480%0.795SS**  trans-77.5118.5-175.200000113.3E307E307-A309 PolarHBondContact O-N 3.05Å
310G34.3Very low35.5Very low65 Ų65149.9 Ų149.967%0.6779%0.792SS**  trans99118.3147.600000118.5P308P308-G310 PolarHBondContact O-N 3.08Å
311H40.3Very low36Very low192 Ų192152.3 Ų152.389%0.88980%0.799SS**  -157.5153.2106.8-101.4-61.8000111
312P39.9Very low36.2Very low116 Ų116154.3 Ų154.375%0.75381%0.805SS**  trans-90.6166.3-173.236.2-34.8000114.2
313R36.1Very low36.2Very low217 Ų217158.4 Ų158.482%0.81981%0.814SS**  trans-55155.3179.9-62.2171.4171.1170.3-6114.8
314N45.7Very low36.2Very low168 Ų168155.7 Ų155.790%0.89881%0.814SS**  -145.8158.9128.3-111-30.6000111.6
315H39.8Very low36Very low176 Ų176152.5 Ų152.582%0.81582%0.816SS**  trans-92.6156.2178.6-79.7-101.1000111.8
316G38.2Very low36Very low72 Ų72149.9 Ų149.974%0.74282%0.816SS**  trans-179.6131.4167.600000110.7
317D40.1Very low36Very low152 Ų152144.8 Ų144.881%0.81381%0.81SS**  trans-88172-176.4-59.8-82.1000113
318N35.6Very low35.5Very low142 Ų142143.1 Ų143.176%0.75981%0.807SS**  trans28.8130.9152.9-53.7-20.3000118.7
319D36.8Very low35Very low152 Ų152144.6 Ų144.681%0.81381%0.808SS**  -165.5173.761.6-125.8-42.1000114.6
320L33.4Very low34.4Very low146 Ų146145 Ų14576%0.76480%0.804SS**  trans-70.7138.5163.1-93.265.6000110.4
321H38.6Very low34.1Very low169 Ų169146.8 Ų146.878%0.78281%0.813SS**  trans-170.7133.2131.8-94-42.3000114.9
322Q33Very low33.4Very low170 Ų170143.9 Ų143.979%0.79481%0.809SS**  trans57.4113.9142.5-60.1178.210.400121
323L28.2Very low32.6Very low172 Ų172147.2 Ų147.290%0.90182%0.817SS**  trans-68153.3150-69.3161.9000111.1
324P32.3Very low32.1Very low116 Ų116145 Ų14575%0.75382%0.816SS**  trans-105.2146.2139.434.5-28.9000110.8
325A26.4Very low31.1Very low98 Ų98143 Ų14381%0.8181%0.813SS**  trans-78.4150.2174.600000111.7
326I32.4Very low30.4Very low169 Ų169142 Ų14287%0.86781%0.812SS**  trans-119.1134.6163.9-62.5179.8000107.3
327T31.4Very low30.1Very low127 Ų127143.8 Ų143.878%0.77981%0.811SS**  trans-88.1161.9-170.445.90000113.5
328N26.6Very low29.6Very low152 Ų152141.2 Ų141.281%0.81381%0.81SS**  trans-37.8141.8174.9-49.8-21.7000114.7
329D28.4Very low29.6Very low159 Ų159140.3 Ų140.385%0.8580%0.802SS**  -154.1150.6124.4-115.5-31.2000112.8
330S25.7Very low30.1Very low114 Ų114141 Ų14180%0.79780%0.8SS**  trans21.6107.316963.50000120.7
331A26.6Very low30.7Very low103 Ų103140 Ų14085%0.85179%0.787SS**  trans-142.6122.314800000109.8
332T26.3Very low31.7Very low132 Ų132136.7 Ų136.781%0.8177%0.772SS**  trans-79.4130.3-17539.10000112.4E334T332-E334 PolarHBondContact O-N 3.29Å
333M22.5Very low33.3Very low186 Ų186134.4 Ų134.492%0.91676%0.761SS**  trans-84.285.3175-171.4-178.2-64.800110.2
334E25.5Very low35.1Very low171 Ų171130 Ų13080%0.79974%0.738SS**  trans-74134.3171.8-73-167.6123.200111.5T332 I336T332-E334 PolarHBondContact O-N 3.29Å; E334-I336 PolarHBondContact O-N 3.23Å
335C26.3Very low37.1Very low125 Ų125127.7 Ų127.785%0.84572%0.721SS**  trans-75.6112176.1-59.60000110.3P337C335-P337 WeakPolarHBondContact O-CD 3.28Å
336I24.7Very low39Very low154 Ų154127.3 Ų127.379%0.7971%0.705SS**PPolyproline II helixtrans-63.7122.7174.1-57.1174.4000108.7E334E334-I336 PolarHBondContact O-N 3.23Å
337P31.7Very low41.3Very low111 Ų111124.5 Ų124.572%0.72170%0.696SS**PPolyproline II helixtrans-65.2148.3177.327.1-34.1000111C335 Q339C335-P337 WeakPolarHBondContact O-CD 3.28Å; P337-Q339 PolarHBondContact O-N 3.45Å
338A29.3Very low43.2Very low97 Ų97119.5 Ų119.580%0.80267%0.67SS**PPolyproline II helixtrans-56135.3-175.200000112Q340A338-Q340 PolarHBondContact O-N 3.41Å
339Q36.1Very low45.6Very low123 Ų123117 Ų11758%0.57566%0.661SS**  trans-65.898.6-175.6-72.6-1700.800111.7P337 Y341 P363P337-Q339 PolarHBondContact O-N 3.45Å; Q339-Y341 PolarHBondContact O-N 3.27Å; Q339-Y341 VanDerWaalsContact O-N 3.16Å; Q339-P363 HydrophobicContact CB-CG 3.98Å; Q339-P363 HydrophobicContact CG-CG 3.89Å
340Q46.4Very low47.5Very low166 Ų166116.5 Ų116.578%0.77665%0.653SS**  trans-78.698.2175.9-165.917416.700109.7A338 Q342A338-Q340 PolarHBondContact O-N 3.41Å; Q340-Q342 PolarHBondContact O-N 3.08Å
341Y46Very low50.3Low126 Ų126114 Ų11449%0.49465%0.645SS.*PPolyproline II helixtrans-60132.2170.2-67.5-88.5000110.1Q339Q339-Y341 PolarHBondContact O-N 3.27Å; Q339-Y341 VanDerWaalsContact O-N 3.16Å
342Q59.6Low53Low100 Ų100117.3 Ų117.347%0.46765%0.648SS.*EExtended strand (participates in β ladder)trans-87.8133167.5-72.3-176.4-12.300108.7Q340 I361Q340-Q342 PolarHBondContact O-N 3.08Å; Q342-I361 HydrophobicContact CB-CB 4.22Å; Q342-I361 HydrophobicContact CB-CD1 4.44Å; Q342-I361 PolarHBondContact N-O 2.84Å; Q342-I361 WeakPolarHBondContact O-CB 3.21Å; Q342-I361 PolarHBondContact O-N 2.75Å
343H66.3Low55.2Low122 Ų122118 Ų11857%0.56564%0.643SS**EExtended strand (participates in β ladder)trans-103118.2177.1-66.7-70.5000110.3T358 Y359 S360H343-T358 HydrophobicContact CB-CG2 3.9Å; H343-Y359 WeakPolarHBondContact CA-O 3.35Å; H343-S360 PolarHBondContact CE1-OG 2.83Å; H343-S360 VanDerWaalsContact CE1-OG 3.23Å; H343-S360 PolarHBondContact ND1-OG 3.12Å
344L66.1Low58Low80 Ų80114.3 Ų114.342%0.41963%0.632SS.*EExtended strand (participates in β ladder)trans-98109.3172.5178.967.6000109.1L346 T358 Y359 I361L344-L346 HydrophobicContact CD1-CD2 4.42Å; L344-L346 HydrophobicContact CD2-CD2 4.22Å; L344-L346 HydrophobicContact CG-CD2 4.16Å; L344-T358 WeakPolarHBondContact O-CA 3.43Å; L344-Y359 PolarHBondContact N-O 3.23Å; L344-Y359 PolarHBondContact O-N 2.71Å; L344-I361 HydrophobicContact CB-CD1 4Å; L344-I361 HydrophobicContact CB-CG1 4.44Å
345T75.4Confident60.5Low66 Ų66111.7 Ų111.741%0.40562%0.616SS.*EExtended strand (participates in β ladder)trans-96.6111.2173.8-60.60000109.9T347 N356 V357 T358T345-T347 HydrophobicContact CG2-CG2 4.38Å; T345-N356 HydrophobicContact CG2-CB 3.96Å; T345-V357 WeakPolarHBondContact CA-O 3.34Å; T345-T358 WeakPolarHBondContact OG1-CG2 3.41Å; T345-T358 PolarHBondContact OG1-OG1 3.38Å
346L65.6Low63Low90 Ų90110.9 Ų110.947%0.47160%0.603SS.*EExtended strand (participates in β ladder)trans-85.1124168.6-59.8-174000109.2L344 N356 V357 Y359L344-L346 HydrophobicContact CD1-CD2 4.42Å; L344-L346 HydrophobicContact CD2-CD2 4.22Å; L344-L346 HydrophobicContact CG-CD2 4.16Å; L346-N356 CarbonylContact O-C 3.24Å; L346-N356 WeakPolarHBondContact O-CA 3.45Å; L346-V357 PolarHBondContact N-O 3.12Å; L346-V357 PolarHBondContact O-N 3.27Å; L346-Y359 HydrophobicContact CD1-CE2 3.81Å; L346-Y359 HydrophobicContact CG-CD2 4.42Å; L346-Y359 HydrophobicContact CG-CE2 4.06Å
347T81.8Confident65.1Low110 Ų110106.1 Ų106.168%0.67558%0.581SS**EExtended strand (participates in β ladder)trans-99.8136.1174.861.90000109.7T345 N356T345-T347 HydrophobicContact CG2-CG2 4.38Å; T347-N356 WeakPolarHBondContact CG2-OD1 3.36Å
348G70.8Confident67.3Low22 Ų22104.6 Ų104.623%0.22757%0.57CS.*EExtended strand (participates in β ladder)trans-151.2-177.3179.800000111.9P354 Y355G348-P354 CarbonylContact O-C 3.38Å; G348-P354 VanDerWaalsContact O-CA 3.3Å; G348-P354 WeakPolarHBondContact O-CA 3.42Å; G348-Y355 PolarHBondContact N-O 3.35Å; G348-Y355 PolarHBondContact O-N 3.14Å
349T77.2Confident69.1Low101 Ų101105.9 Ų105.962%0.6256%0.555SS**EExtended strand (participates in β ladder)trans-133.6129.217852.50000111E353 Y355T349-E353 CarbonylContact C-O 2.96Å; T349-E353 VanDerWaalsContact CA-O 3.31Å; T349-E353 WeakPolarHBondContact CA-O 3.43Å; T349-Y355 VanDerWaalsContact C-CE1 3.5Å
350H67.2Low70.7Confident148 Ų148103.6 Ų103.669%0.68555%0.552SS**EExtended strand (participates in β ladder)trans-109.195.7176.5-176-91.6000108.6N352 E353 Y355H350-N352 PolarHBondContact O-N 3.34Å; H350-E353 PolarHBondContact N-O 3.06Å; H350-E353 PolarHBondContact O-N 3.17Å; H350-Y355 HydrophobicContact CB-CD1 3.78Å; H350-Y355 HydrophobicContact CB-CE1 4.06Å
351G85.3Confident71.5Confident62 Ų6297.9 Ų97.964%0.63953%0.526SS*.THydrogen-bonded Turntrans65.8-128.2-158.200000109.5
352N83.7Confident72Confident171 Ų17194.4 Ų94.491%0.91452%0.52SS*.THydrogen-bonded Turntrans-91-6.4178.3-66.9-11.4000113.7H350H350-N352 PolarHBondContact O-N 3.34Å
353E72.1Confident71.5Confident148 Ų14892 Ų9269%0.69251%0.512SS*.EExtended strand (participates in β ladder)trans-87.6124.2-178.9-64.9-168.514800110.9T349 H350T349-E353 CarbonylContact C-O 2.96Å; T349-E353 VanDerWaalsContact CA-O 3.31Å; T349-E353 WeakPolarHBondContact CA-O 3.43Å; H350-E353 PolarHBondContact N-O 3.06Å; H350-E353 PolarHBondContact O-N 3.17Å
354P80.7Confident70.5Confident107 Ų10791.3 Ų91.370%0.69552%0.522SS*.EExtended strand (participates in β ladder)trans-72134.6172.530.2-33.1000110.3G348G348-P354 CarbonylContact O-C 3.38Å; G348-P354 VanDerWaalsContact O-CA 3.3Å; G348-P354 WeakPolarHBondContact O-CA 3.42Å
355Y79.2Confident69.6Low116 Ų11690.7 Ų90.746%0.45552%0.524SS..EExtended strand (participates in β ladder)trans-125.414617472.8-93.6000110.5G348 T349 H350 V357G348-Y355 PolarHBondContact N-O 3.35Å; G348-Y355 PolarHBondContact O-N 3.14Å; T349-Y355 VanDerWaalsContact C-CE1 3.5Å; H350-Y355 HydrophobicContact CB-CD1 3.78Å; H350-Y355 HydrophobicContact CB-CE1 4.06Å; Y355-V357 HydrophobicContact CD2-CG2 3.83Å; Y355-V357 HydrophobicContact CE2-CG2 3.9Å
356N77.5Confident67.8Low108 Ų10891.6 Ų91.658%0.57853%0.529SS*.EExtended strand (participates in β ladder)trans-120.8131.9178.1-65.4-14.5000109T345 L346 T347T345-N356 HydrophobicContact CG2-CB 3.96Å; L346-N356 CarbonylContact O-C 3.24Å; L346-N356 WeakPolarHBondContact O-CA 3.45Å; T347-N356 WeakPolarHBondContact CG2-OD1 3.36Å
357V70.3Confident66.2Low55 Ų5594.6 Ų94.633%0.33355%0.545SS..EExtended strand (participates in β ladder)trans-118.4114.3173-169.50000108.7T345 L346 Y355 Y359T345-V357 WeakPolarHBondContact CA-O 3.34Å; L346-V357 PolarHBondContact N-O 3.12Å; L346-V357 PolarHBondContact O-N 3.27Å; Y355-V357 HydrophobicContact CD2-CG2 3.83Å; Y355-V357 HydrophobicContact CE2-CG2 3.9Å; V357-Y359 HydrophobicContact CB-CE2 3.97Å; V357-Y359 HydrophobicContact CG1-CD2 4.28Å; V357-Y359 HydrophobicContact CG1-CE1 4.29Å; V357-Y359 HydrophobicContact CG1-CE2 3.55Å
358T76Confident63.8Low78 Ų7897.4 Ų97.448%0.47955%0.55SS.*EExtended strand (participates in β ladder)trans-101.4122.5-179.8-56.60000110.7H343 L344 T345H343-T358 HydrophobicContact CB-CG2 3.9Å; L344-T358 WeakPolarHBondContact O-CA 3.43Å; T345-T358 WeakPolarHBondContact OG1-CG2 3.41Å; T345-T358 PolarHBondContact OG1-OG1 3.38Å
359Y68Low61.8Low125 Ų125102.1 Ų102.149%0.4957%0.574SS.*EExtended strand (participates in β ladder)trans-104.6131.5176.2-59.3-93.6000109.9H343 L344 L346 V357H343-Y359 WeakPolarHBondContact CA-O 3.35Å; L344-Y359 PolarHBondContact N-O 3.23Å; L344-Y359 PolarHBondContact O-N 2.71Å; L346-Y359 HydrophobicContact CD1-CE2 3.81Å; L346-Y359 HydrophobicContact CG-CD2 4.42Å; L346-Y359 HydrophobicContact CG-CE2 4.06Å; V357-Y359 HydrophobicContact CB-CE2 3.97Å; V357-Y359 HydrophobicContact CG1-CD2 4.28Å; V357-Y359 HydrophobicContact CG1-CE1 4.29Å; V357-Y359 HydrophobicContact CG1-CE2 3.55Å
360S69.7Low59.5Low74 Ų74105 Ų10552%0.51758%0.581SS.*EExtended strand (participates in β ladder)trans-85.8107.5170.2-57.60000109.8H343 P362H343-S360 PolarHBondContact CE1-OG 2.83Å; H343-S360 VanDerWaalsContact CE1-OG 3.23Å; H343-S360 PolarHBondContact ND1-OG 3.12Å; S360-P362 WeakPolarHBondContact O-CD 3.21Å
361I63.1Low57.7Low46 Ų46103.3 Ų103.324%0.23658%0.575CS.*EExtended strand (participates in β ladder)trans-77.2119.6173.9-56.9175.8000107.8Q342 L344Q342-I361 HydrophobicContact CB-CB 4.22Å; Q342-I361 HydrophobicContact CB-CD1 4.44Å; Q342-I361 PolarHBondContact N-O 2.84Å; Q342-I361 WeakPolarHBondContact O-CB 3.21Å; Q342-I361 PolarHBondContact O-N 2.75Å; L344-I361 HydrophobicContact CB-CD1 4Å; L344-I361 HydrophobicContact CB-CG1 4.44Å
362P55.6Low54.8Low54 Ų54104.9 Ų104.935%0.35158%0.582SS.*  trans-68.3148.7173.630-33.9000110S360 S364 S365S360-P362 WeakPolarHBondContact O-CD 3.21Å; P362-S364 PolarHBondContact O-N 2.98Å; P362-S365 WeakPolarHBondContact O-CB 3.4Å; P362-S365 PolarHBondContact O-N 3.41Å
363P50.1Low52.2Low48 Ų48105.6 Ų105.631%0.31258%0.577SS.*G310 helixtrans-62.1-20.7-17226-37.2000114.1Q339 S365Q339-P363 HydrophobicContact CB-CG 3.98Å; Q339-P363 HydrophobicContact CG-CG 3.89Å; P363-S365 PolarHBondContact O-N 3.11Å
364S45.7Very low50.1Low109 Ų109107.4 Ų107.476%0.76259%0.586SS**G310 helixtrans-68.4-9.2172.352.80000114.7P362P362-S364 PolarHBondContact O-N 2.98Å
365S47Very low47.8Very low67 Ų67107.8 Ų107.847%0.46959%0.589SS.*G310 helixtrans-11314.4-172.7-61.50000113.8P362 P363 L367P362-S365 WeakPolarHBondContact O-CB 3.4Å; P362-S365 PolarHBondContact O-N 3.41Å; P363-S365 PolarHBondContact O-N 3.11Å; S365-L367 PolarHBondContact O-N 3.29Å
366V36.6Very low45.7Very low84 Ų84109.8 Ų109.851%0.50961%0.607SS.*  trans-78.165.2176.3-169.30000110.7
367L31.6Very low43.6Very low154 Ų154109.7 Ų109.781%0.80662%0.621SS**  trans-93.9134.2166.4-114158.2000108.3S365 V369S365-L367 PolarHBondContact O-N 3.29Å; L367-V369 PolarHBondContact O-N 3.33Å
368Q33Very low41.9Very low168 Ų168110.9 Ų110.979%0.78564%0.637SS**  trans-6596.7-167.4-69.4179.3-36.900113.5H370Q368-H370 PolarHBondContact O-N 3.03Å
369V28.6Very low40.1Very low121 Ų121112.9 Ų112.973%0.73365%0.651SS**  trans-75.791.3173.6-165.40000110.4L367 I371L367-V369 PolarHBondContact O-N 3.33Å; V369-I371 VanDerWaalsContact C-N 3.34Å; V369-I371 HydrophobicContact CG1-CD1 4.26Å; V369-I371 HydrophobicContact CG1-CG1 3.62Å; V369-I371 PolarHBondContact O-N 3.46Å
370H28.2Very low38.7Very low163 Ų163115.5 Ų115.576%0.75567%0.673SS**  trans-72.486.2167-84.966000110.2Q368 A372Q368-H370 PolarHBondContact O-N 3.03Å; H370-A372 PolarHBondContact O-N 3.12Å; H370-A372 VanDerWaalsContact O-N 3.09Å
371I29.6Very low37.4Very low112 Ų112120.6 Ų120.657%0.57469%0.688SS**  trans-74.896.7171.2-54.3-176.8000109V369 F373V369-I371 VanDerWaalsContact C-N 3.34Å; V369-I371 HydrophobicContact CG1-CD1 4.26Å; V369-I371 HydrophobicContact CG1-CG1 3.62Å; V369-I371 PolarHBondContact O-N 3.46Å; I371-F373 HydrophobicContact CB-CE2 4.43Å; I371-F373 HydrophobicContact CG2-CD2 3.99Å; I371-F373 HydrophobicContact CG2-CE2 3.91Å; I371-F373 HydrophobicContact CG2-CZ 4.49Å; I371-F373 PolarHBondContact O-N 3.14Å
372A24.3Very low36.1Very low95 Ų95123.1 Ų123.179%0.78572%0.717SS**  trans-72.294.5168.100000110H370 Q374H370-A372 PolarHBondContact O-N 3.12Å; H370-A372 VanDerWaalsContact O-N 3.09Å; A372-Q374 PolarHBondContact O-N 3.33Å; A372-Q374 VanDerWaalsContact O-N 3.11Å
373F29.5Very low35.3Very low185 Ų185128.4 Ų128.481%0.81174%0.741SS**  trans-62.9108.6169-80-94.3000110I371 P375I371-F373 HydrophobicContact CB-CE2 4.43Å; I371-F373 HydrophobicContact CG2-CD2 3.99Å; I371-F373 HydrophobicContact CG2-CE2 3.91Å; I371-F373 HydrophobicContact CG2-CZ 4.49Å; I371-F373 PolarHBondContact O-N 3.14Å; F373-P375 WeakPolarHBondContact O-CD 3.39Å
374Q27.1Very low35.2Very low186 Ų186131 Ų13187%0.86976%0.757SS**  trans-78120.8161.2-83.4-165.7-21.100109.3A372A372-Q374 PolarHBondContact O-N 3.33Å; A372-Q374 VanDerWaalsContact O-N 3.11Å
375P34.2Very low35Very low116 Ų116132 Ų13275%0.75376%0.762SS**  trans-76.8126.9178.430-33.4000111.7F373F373-P375 WeakPolarHBondContact O-CD 3.39Å
376N33.7Very low35.1Very low157 Ų157137.8 Ų137.884%0.8478%0.784SS**  trans3288.3154-63.2-11.6000118A378N376-A378 PolarHBondContact O-N 3.3Å; N376-A378 VanDerWaalsContact O-N 3.13Å
377A32.9Very low35.4Very low106 Ų106137 Ų13788%0.87679%0.792SS**  trans-69.1101.515000000108.8
378A34.8Very low35.9Very low81 Ų81138.1 Ų138.167%0.66979%0.793SS**PPolyproline II helixtrans-65.4146.6-18000000111.8N376 L380N376-A378 PolarHBondContact O-N 3.3Å; N376-A378 VanDerWaalsContact O-N 3.13Å; A378-L380 PolarHBondContact O-N 2.91Å
379P38.1Very low36.5Very low119 Ų119136.6 Ų136.677%0.77379%0.79SS**PPolyproline II helixtrans-67.4121.517627.9-33.7000110.4Q381P379-Q381 PolarHBondContact O-N 3.24Å
380L38.8Very low37.2Very low180 Ų180142.3 Ų142.394%0.94280%0.8SS**PPolyproline II helixtrans-62.9118.4170.3-90.7165.7000109.5A378A378-L380 PolarHBondContact O-N 2.91Å
381Q42.2Very low38Very low181 Ų181140.6 Ų140.685%0.84680%0.801SS**PPolyproline II helixtrans-69.2150.3176.9-68.3-179.8-19.500110.9P379P379-Q381 PolarHBondContact O-N 3.24Å
382A35.8Very low38.4Very low100 Ų100142.9 Ų142.983%0.82681%0.809SS**PPolyproline II helixtrans-68.1142-179.500000112.2
383L39.1Very low39.4Very low165 Ų165144 Ų14486%0.86481%0.809SS**PPolyproline II helixtrans-88.5139.9161.3-76167.8000109.5
384P47.8Very low39.9Very low101 Ų101142.2 Ų142.266%0.65680%0.803SS**PPolyproline II helixtrans-76.3156.7-17832-36000112.4M386P384-M386 PolarHBondContact O-N 2.62Å
385P42.4Very low40.6Very low131 Ų131140.1 Ų140.185%0.85180%0.795SS**PPolyproline II helixtrans-71.8117.7173.629.9-33.3000110.9
386M48.6Very low41.3Very low189 Ų189142.4 Ų142.493%0.93180%0.801SS**  trans-83.7111.9167.8-73-97.4-73.700109.1P384P384-M386 PolarHBondContact O-N 2.62Å
387G43.2Very low41.5Very low66 Ų66138 Ų13868%0.6879%0.792SS**  trans-94.8172.8171.900000113
388E43.1Very low41.9Very low179 Ų179144 Ų14484%0.83679%0.794SS**  trans68.8111.5160.9-52.8-159153.100119.2
389N45.3Very low42.4Very low136 Ų136145.5 Ų145.573%0.72780%0.796SS**  46.3112.9127.9-50.8-43.9000119.2
390Y42.1Very low43.1Very low240 Ų240145.5 Ų145.594%0.94180%0.797SS**  -150.2155.3126.2-116.8-76.9000112.5
391V45.9Very low43.5Very low127 Ų127142.1 Ų142.177%0.7778%0.783SS**  trans-94.5141-166.7175.60000112.5P393V391-P393 WeakPolarHBondContact O-CD 3.43Å
392H37Very low43.4Very low160 Ų160141.4 Ų141.474%0.74178%0.778SS**  trans-77127.2174.1-145.6-84.8000111.1
393P45.2Very low44.1Very low120 Ų120145.3 Ų145.378%0.77978%0.776SS**  trans-138.5157.313037.3-26.4000112.5V391V391-P393 WeakPolarHBondContact O-CD 3.43Å
394Q41.4Very low44.6Very low146 Ų146141.8 Ų141.868%0.68276%0.764SS**  trans-129.3151.8-176.5-136.5-172.527.500112.4
395M40.3Very low44.4Very low143 Ų143147.1 Ų147.170%0.70478%0.777SS**  trans60.498.3163-56.6-165.9-175.600118.8
396N49.5Very low44.3Very low164 Ų164145 Ų14588%0.87777%0.77SS**  169.4137.493.3-88.9-41.1000112.7
397G39.3Very low44.2Very low64 Ų64146.8 Ų146.866%0.6677%0.768SS**  trans144.491.9163.200000117.5
398Y39.9Very low45.1Very low232 Ų232147.3 Ų147.391%0.9176%0.759SS**  trans52.5130.1152.4-66.9-84.8000122.1
399P46.1Very low46.2Very low112 Ų112142.5 Ų142.573%0.72774%0.744SS**  trans-93.9166.517238.9-35.4000113.6
400P51.4Low47.3Very low120 Ų120140.9 Ų140.978%0.77974%0.741SS**  -134.8129.6115.636.8-27.7000113.7
401T47.5Very low48Very low108 Ų108132.2 Ų132.266%0.66372%0.719SS**  73.5124.977.20.90000117.8
402F41.6Very low49Very low167 Ų167129.5 Ų129.573%0.73270%0.704SS**  trans67.9137.3167.9-70.8-89.8000118.6
403F49Very low49.9Very low181 Ų181132.6 Ų132.679%0.79471%0.711SS**  cis-161.3-170.3-19.2-131.6-141.4000108.8
404P51Low50.8Low92 Ų92132.4 Ų132.460%0.59771%0.709SS**  trans-123.1179.6-131.345.4-31.4000116.2
405F42.4Very low52Low213 Ų213131.5 Ų131.593%0.93472%0.716SS**  trans-133.8150.6146.6-93.6-84.2000109.8
406A40.4Very low52.9Low85 Ų85133.5 Ų133.570%0.70272%0.724SS**  trans-124.6138.7-165.600000113.9
407Y46.8Very low53.6Low227 Ų227131.7 Ų131.789%0.8972%0.721SS**  trans-124.8118.9163.7-76.9-83.9000109
408P62.4Low54.2Low77 Ų77137.3 Ų137.350%0.573%0.732SS.*  trans-82.7172.9-179.2-2.918000114.2R488P408-R488 PolarHBondContact O-NH1 3.17Å
409P65.8Low55Low78 Ų78133.9 Ų133.951%0.50673%0.729SS.*  trans-80.6156.9-179.432.5-36.4000116R488P409-R488 VanDerWaalsContact C-NH1 3.31Å; P409-R488 WeakPolarHBondContact O-CB 3.49Å; P409-R488 WeakPolarHBondContact O-CG 3.3Å; P409-R488 PolarHBondContact O-NH1 3.09Å
410P68.1Low55.8Low103 Ų103134.6 Ų134.667%0.66973%0.733SS**  trans-72.6-168.3-176.634.1-39000113.8R488 R489P410-R488 CarbonylContact O-C 3.54Å; P410-R488 WeakPolarHBondContact O-CA 3.48Å; P410-R489 CarbonylContact O-C 3.58Å; P410-R489 WeakPolarHBondContact O-CA 3.2Å; P410-R489 PolarHBondContact O-N 3.09Å
411A56.7Low55.4Low57 Ų57138.3 Ų138.347%0.47174%0.742SS.*PPolyproline II helixtrans-102.4154.1-160.200000118M487 R488 R489A411-M487 WeakPolarHBondContact CB-O 3.2Å; A411-R488 VanDerWaalsContact CA-N 3.33Å; A411-R489 CarbonylContact C-O 3.53Å; A411-R489 VanDerWaalsContact C-O 3.24Å
412P68.3Low55.3Low71 Ų71136.4 Ų136.446%0.46174%0.744SS.*PPolyproline II helixtrans-88.8147169.638.7-32.3000111.1R489P412-R489 HydrophobicContact CB-CB 4.16Å; P412-R489 HydrophobicContact CG-CB 3.83Å; P412-R489 HydrophobicContact CG-CG 4.25Å
413Y54.3Low55.3Low225 Ų225136.7 Ų136.788%0.88275%0.748SS**PPolyproline II helixtrans-75.4146.6178.6-68.9-92.8000112.6
414P65.1Low54.7Low115 Ų115134.6 Ų134.675%0.74775%0.745SS**PPolyproline II helixtrans-70.4153.1172.930.4-35.2000112
415P66.6Low54.1Low128 Ų128136.2 Ų136.283%0.83175%0.753SS**PPolyproline II helixtrans-73.9149.3-177.530.5-35.6000113.2
416Q58.3Low53.9Low184 Ų184135.1 Ų135.186%0.8675%0.748SS**PPolyproline II helixtrans-73.2148.2171-71.1-175.5-15.900111.9
417P65.1Low53.7Low126 Ų126139.2 Ų139.282%0.81875%0.753SS**PPolyproline II helixtrans-71.7130.6173.629.7-34000111.5
418M52.3Low53.3Low183 Ų183133.9 Ų133.990%0.90175%0.746SS**PPolyproline II helixtrans-77.9137.5172.7-69176.163.100111.3
419L56.4Low51.9Low160 Ų160140.6 Ų140.684%0.83876%0.763SS**PPolyproline II helixtrans-76143.5164.9-70.4170.4000110.3M421L419-M421 PolarHBondContact O-N 3.27Å
420P63.1Low50.4Low126 Ų126145.7 Ų145.782%0.81878%0.782SS**PPolyproline II helixtrans-74.9124-177.629.2-34.1000112.2
421M43.3Very low49Very low198 Ų198147.9 Ų147.998%0.97579%0.789SS**  trans-96.4111.2165.1-79-168.2171.300110.9L419L419-M421 PolarHBondContact O-N 3.27Å
422G43.8Very low47.9Very low68 Ų68150.9 Ų150.970%0.70180%0.8SS**  trans-160.895.1168.500000108.5
423Q41.6Very low46.4Very low174 Ų174153.2 Ų153.281%0.81382%0.816SS**  95.210784.6-91.5-163.413.100113.5
424N37.5Very low45.6Very low137 Ų137151 Ų15173%0.73381%0.813SS**  trans80.6159.4143.4-56.2-35.4000121.2
425V38.9Very low43.9Very low126 Ų126156.3 Ų156.376%0.76482%0.82SS**  trans83.284.6163.4-1610000118.6
426F38Very low42.4Very low190 Ų190155.5 Ų155.583%0.83382%0.815SS**  53.8139.9126-90.9-87000124.2
427Q36.3Very low41.3Very low170 Ų170152.1 Ų152.179%0.79481%0.809SS**  trans80.7144.1157.7-67.6-164.1100119.9
428P36.8Very low39.6Very low116 Ų116150.8 Ų150.875%0.75381%0.809SS**  trans-95.3147.8-174.137.6-34000113
429Y34.7Very low38.6Very low217 Ų217152.3 Ų152.385%0.85181%0.806SS**  trans-133.1140.2160.8-100.2-98.3000109.3N431Y429-N431 PolarHBondContact O-N 3.2Å
430M33Very low37.5Very low185 Ų185151.6 Ų151.691%0.91180%0.803SS**  trans-64.9130.6162-69.8-169.8-175.600108.3
431N38.7Very low35.9Very low150 Ų150151.8 Ų151.880%0.80280%0.801SS**  trans-139.7120.7164.4-110.2-39.7000109.1Y429 P433Y429-N431 PolarHBondContact O-N 3.2Å; N431-P433 WeakPolarHBondContact O-CD 3.21Å
432V33.7Very low35.2Very low119 Ų119152.7 Ų152.772%0.72180%0.795SS**  trans-87.9120177.7175.30000108Q434V432-Q434 PolarHBondContact O-N 2.9Å; V432-Q434 VanDerWaalsContact O-N 3.13Å
433P38Very low34.7Very low121 Ų121157.9 Ų157.979%0.78680%0.802SS**  trans-67.1110.4165.8-15.330.7000108.5N431N431-P433 WeakPolarHBondContact O-CD 3.21Å
434Q36.8Very low34.1Very low177 Ų177153.7 Ų153.783%0.82780%0.796SS**PPolyproline II helixtrans-71.4141.6171.5-69.1178.5-18.100109.8V432V432-Q434 PolarHBondContact O-N 2.9Å; V432-Q434 VanDerWaalsContact O-N 3.13Å
435Y28.5Very low33.7Very low227 Ų227153.4 Ų153.489%0.8980%0.8SS**PPolyproline II helixtrans-64.5135.2179.6-71.5-94.2000112.5
436P36.3Very low33.4Very low112 Ų112152 Ų15273%0.72780%0.796SS**PPolyproline II helixtrans-67.7150.1146.1-12.629.6000110
437P35.3Very low33.1Very low112 Ų112151.4 Ų151.473%0.72780%0.795SS**PPolyproline II helixtrans-75.8165.9-166.731.1-37.2000114.3Y439P437-Y439 PolarHBondContact O-N 3.29Å
438A29.3Very low32.7Very low99 Ų99155.1 Ų155.182%0.81880%0.802SS**PPolyproline II helixtrans-56125.9174.100000111.9
439Y31.5Very low32.4Very low215 Ų215156.2 Ų156.284%0.84380%0.802SS**PPolyproline II helixtrans-89.2123.7170.1-110.7-98.7000110P437 V441P437-Y439 PolarHBondContact O-N 3.29Å; Y439-V441 PolarHBondContact O-N 3.17Å
440N32.8Very low32.2Very low145 Ų145155.8 Ų155.878%0.77580%0.8SS**  trans-67.8100.7174.7-82.1-29.5000110.6Y442N440-Y442 PolarHBondContact O-N 3.35Å
441V29.6Very low31.9Very low129 Ų129157.3 Ų157.378%0.78280%0.797SS**  trans-79.765.2165.5-170.10000108.9Y439Y439-V441 PolarHBondContact O-N 3.17Å
442Y28.7Very low31.7Very low217 Ų217155.9 Ų155.985%0.85179%0.794SS**  trans-129.730-176.1-131.6-74.1000112.2N440N440-Y442 PolarHBondContact O-N 3.35Å
443Q32.5Very low31.5Very low178 Ų178153.9 Ų153.983%0.83280%0.797SS**SBendtrans-153.314.3-176.1-139.9168.96.700115.5
444A28.7Very low31.3Very low85 Ų85153.7 Ų153.770%0.70279%0.794SS**SBendtrans-140.521.9-168.300000116.5
445V30.2Very low31.2Very low132 Ų132150.7 Ų150.780%0.879%0.79SS**  trans-136.835.7158.2-158.20000110.2E447V445-E447 PolarHBondContact O-N 3.16Å; V445-E447 VanDerWaalsContact O-N 3.13Å
446S31.6Very low31.4Very low97 Ų97146.5 Ų146.568%0.67879%0.787SS**THydrogen-bonded Turntrans-83.435.4177540000112.5
447E32.6Very low31.3Very low176 Ų176145.9 Ų145.982%0.82279%0.786SS**THydrogen-bonded Turntrans-147.224.7-166.5-143.2162.8-112.400114.8V445V445-E447 PolarHBondContact O-N 3.16Å; V445-E447 VanDerWaalsContact O-N 3.13Å
448W28.2Very low31.3Very low249 Ų249149.6 Ų149.694%0.94379%0.793SS**  trans-146.446.9162.8-119.533.9000113.4
449N29.8Very low31.5Very low139 Ų139149.4 Ų149.474%0.74379%0.792SS**  trans-97.191.3166.7-91.2-40.4000110.3
450Y29.6Very low31.7Very low207 Ų207146.1 Ų146.181%0.81279%0.789SS**  trans-147.9144.9164.9-115.7-89000109.8
451Y27.5Very low32Very low217 Ų217146.2 Ų146.285%0.85179%0.789SS**  trans67.543.3-179.4-67.8-80.6000118.2G453Y451-G453 PolarHBondContact O-N 3.11Å
452T34.9Very low32.2Very low120 Ų120149.9 Ų149.974%0.73680%0.795SS**  trans-79.386.8148.637.50000110.2V454T452-V454 PolarHBondContact O-N 3.05Å
453G29.8Very low32.6Very low77 Ų77148 Ų14879%0.79479%0.794SS**  trans-73.184.8179.500000113.6Y451Y451-G453 PolarHBondContact O-N 3.11Å
454V32.9Very low32.9Very low117 Ų117144.2 Ų144.271%0.70979%0.785SS**  trans-116.8121.7170.8-176.60000109.4T452 V456T452-V454 PolarHBondContact O-N 3.05Å; V454-V456 PolarHBondContact O-N 3.22Å; V454-V456 VanDerWaalsContact O-N 3.17Å
455P34.3Very low33.2Very low115 Ų115146.7 Ų146.775%0.74779%0.786SS**  trans-75.2105.9-179.129.2-33.4000111.4S457P455-S457 PolarHBondContact O-N 3.47Å
456V33.5Very low33.4Very low138 Ų138149.8 Ų149.884%0.83679%0.792SS**  trans-73115.9170.1178.20000109.3V454V454-V456 PolarHBondContact O-N 3.22Å; V454-V456 VanDerWaalsContact O-N 3.17Å
457S35Very low33.2Very low100 Ų100154.1 Ų154.170%0.69980%0.801SS**  trans-101.9127171.8-56.90000109.9P455P455-S457 PolarHBondContact O-N 3.47Å
458Q34Very low32.9Very low190 Ų190152.1 Ų152.189%0.88881%0.805SS**  trans61.679.8161.8-56.4-177.18.300117.8
459A33.8Very low32.9Very low94 Ų94146 Ų14678%0.77780%0.795SS**  trans-143.5122.813500000107.7
460N36.1Very low32.5Very low147 Ų147145.6 Ų145.679%0.78680%0.802SS**  trans-94.9171-179.4-79-15.4000111.6
461D38.9Very low32.4Very low147 Ų147141.6 Ų141.679%0.78680%0.799SS**  trans94145.6162.7-53.8-29.6000118.4
462F33.7Very low32.3Very low205 Ų205136.9 Ų136.990%0.89980%0.797SS**  trans74.777.3-179.7-68-81.2000119.6
463Q37.4Very low32Very low178 Ų178135.5 Ų135.583%0.83280%0.799SS**  trans-65.5173.4140.8-94.9-168.5-7.500112.6
464P38Very low31.8Very low99 Ų99141.7 Ų141.764%0.64380%0.804SS**  cis-134.6-140.7-26.736.3-15000111.3
465D36.3Very low31.8Very low137 Ų137141 Ų14173%0.73381%0.805SS**  trans72.170.4162.4-64.8-7.8000120.1
466Q32.7Very low31.6Very low197 Ų197139.6 Ų139.692%0.92180%0.797SS**  -158.8143.1120.5-113.2154.978.300113.2
467Q28.1Very low31.5Very low187 Ų187143.6 Ų143.687%0.87480%0.799SS**  trans-89130.5177.1-67.9176.2-25.100110.7
468C26.7Very low31.6Very low134 Ų134143.6 Ų143.691%0.90580%0.796SS**  trans-125.6142.5159.7-86.50000109.9
469V27Very low31.7Very low121 Ų121140.8 Ų140.873%0.73379%0.793SS**  trans-102.6142.7-168174.20000110.5V471V469-V471 PolarHBondContact O-N 3.1Å
470C23Very low31.6Very low130 Ų130142.9 Ų142.988%0.87879%0.791SS**  trans-65.3115.6170.2-58.60000110.4
471V26.3Very low31.5Very low124 Ų124144 Ų14475%0.75279%0.791SS**  trans-111.7116.8175.6178.60000109.7V469V469-V471 PolarHBondContact O-N 3.1Å
472S27.1Very low31.1Very low117 Ų117143 Ų14382%0.81879%0.794SS**  trans-83.3114.8166-55.90000109.3F474S472-F474 PolarHBondContact O-N 3.26Å
473A28.1Very low31.1Very low92 Ų92136.5 Ų136.576%0.7679%0.786SS**  trans-91.890.8-177.900000112.2
474F25.7Very low31Very low206 Ų206135.1 Ų135.190%0.90478%0.782SS**  trans-107.6111.3158.8-107.2-84.3000108.7S472S472-F474 PolarHBondContact O-N 3.26Å
475S32.5Very low30.8Very low104 Ų104139 Ų13973%0.72779%0.792SS**  trans-155.6124.9167.654.50000107.7
476S30.3Very low30.7Very low85 Ų85137.1 Ų137.159%0.59479%0.789SS**  cis59.797.519.490.80000115.1
477Y30.5Very low30.7Very low222 Ų222134.3 Ų134.387%0.87178%0.778SS**  -174.5171.8120.1-98-48.5000111.3
478P38.4Very low31.3Very low99 Ų99131.7 Ų131.764%0.64376%0.76SS**  trans-132.5176.5-134.943.7-25.9000115.7
479T35.2Very low32Very low132 Ų132136.9 Ų136.981%0.8176%0.761SS**  trans-145.7121.9140.441.30000106.9
480D32.3Very low32.2Very low137 Ų137137.7 Ų137.773%0.73376%0.762SS**  77.2133.764.9-96.5-33.7000115.6
481Q34Very low32.7Very low170 Ų170138.1 Ų138.179%0.79476%0.756SS**  trans82.9124.2158.6-65.4171.130.500122.5
482C30.7Very low33.1Very low126 Ų126138.9 Ų138.985%0.85176%0.756SS**  trans81.6132.2140.8-70.70000123
483G32.5Very low33.4Very low70 Ų70140.2 Ų140.272%0.72275%0.752SS**  trans78.9113.4165.500000114.6
484I35.3Very low33.7Very low149 Ų149143.2 Ų143.276%0.76475%0.752SS**  cis57.6103.716.6-54.3-175.6000114
485E34.5Very low34.3Very low181 Ų181139 Ų13985%0.84674%0.742SS**  trans64.1143.7163-61.2177.6131.900116.1
486S34Very low34.4Very low97 Ų97141.5 Ų141.568%0.67874%0.743SS**  cis-162.6-173.739.5-160.40000113.8
487M33.3Very low34.7Very low138 Ų138145.8 Ų145.868%0.6875%0.754SS**  trans52.797.7164.6-61.4-177.2-67.500116.8A411A411-M487 WeakPolarHBondContact CB-O 3.2Å
488R40.9Very low35.1Very low131 Ų131139.5 Ų139.549%0.49475%0.745SS.*  cis68.580.542.2-49.6-167.1162.9-78.610.3116.5P408 P409 P410 A411P408-R488 PolarHBondContact O-NH1 3.17Å; P409-R488 VanDerWaalsContact C-NH1 3.31Å; P409-R488 WeakPolarHBondContact O-CB 3.49Å; P409-R488 WeakPolarHBondContact O-CG 3.3Å; P409-R488 PolarHBondContact O-NH1 3.09Å; P410-R488 CarbonylContact O-C 3.54Å; P410-R488 WeakPolarHBondContact O-CA 3.48Å; A411-R488 VanDerWaalsContact CA-N 3.33Å
489R39.8Very low34.8Very low244 Ų244143.2 Ų143.292%0.92175%0.754SS**  trans-155.20149.7-72.6-166.4169.1-154.5-3.3109.1P410 A411 P412P410-R489 CarbonylContact O-C 3.58Å; P410-R489 WeakPolarHBondContact O-CA 3.2Å; P410-R489 PolarHBondContact O-N 3.09Å; A411-R489 CarbonylContact C-O 3.53Å; A411-R489 VanDerWaalsContact C-O 3.24Å; P412-R489 HydrophobicContact CB-CB 4.16Å; P412-R489 HydrophobicContact CG-CB 3.83Å; P412-R489 HydrophobicContact CG-CG 4.25Å

Retrieved 489 of 489 residues in 243.9 ms (Link to these results)