A0A061HXJ0_CRIGR Loading...

MEF2-activating motif and SAP domain-containing transcriptional regulator

Transcriptional coactivator. Stimulates the transcriptional activity of MEF2C. Stimulates MYOD1 activity in part via MEF2, resulting in an enhancement of skeletal muscle differentiation.

AlphaFold DB , UniProt , Accession A0A061HXJ0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mamstr, Length 410 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
1M55.6Low74.4Confident231 Ų231111.6 Ų111.6100%1.13862%0.619SS**  000-63.517182.100113.7L3M1-L3 PolarHBondContact O-N 3.19Å
2T57.7Low76.1Confident125 Ų125109.3 Ų109.377%0.76760%0.603SS**THydrogen-bonded Turntrans-74.1-19.4-167-31.40000116.2A4T2-A4 PolarHBondContact O-N 3.41Å
3L59.5Low77.7Confident148 Ų148107.8 Ų107.878%0.77559%0.592SS**Hα-helixtrans-70.5-26.2-174.5-63.3176.4000114.1M1 A5 S6 S7M1-L3 PolarHBondContact O-N 3.19Å; L3-A5 PolarHBondContact O-N 3.35Å; L3-S6 PolarHBondContact O-N 3.28Å; L3-S6 PolarHBondContact O-OG 2.94Å; L3-S7 PolarHBondContact O-N 2.99Å
4A59.8Low79Confident73 Ų73111.3 Ų111.360%0.60359%0.592SS**Hα-helixtrans-65.6-40.4-179.900000112.2T2 S6 S7 Q8T2-A4 PolarHBondContact O-N 3.41Å; A4-S6 VanDerWaalsContact C-N 3.34Å; A4-S6 PolarHBondContact O-N 2.86Å; A4-S7 WeakPolarHBondContact O-CB 3.39Å; A4-S7 PolarHBondContact O-N 3.06Å; A4-Q8 PolarHBondContact O-N 3.35Å; A4-Q8 VanDerWaalsContact O-N 3.1Å
5A62.1Low80.2Confident64 Ų64108.1 Ų108.153%0.52958%0.582SS.*Hα-helixtrans-65-34.5-179.900000112.9L3 R9L3-A5 PolarHBondContact O-N 3.35Å; A5-R9 WeakPolarHBondContact O-CB 3.44Å; A5-R9 PolarHBondContact O-N 3.17Å
6S69.1Low81.3Confident67 Ų67110.5 Ų110.547%0.46959%0.586SS.*Hα-helixtrans-69.5-35.3175.669.80000112L3 A4 S10L3-S6 PolarHBondContact O-N 3.28Å; L3-S6 PolarHBondContact O-OG 2.94Å; A4-S6 VanDerWaalsContact C-N 3.34Å; A4-S6 PolarHBondContact O-N 2.86Å; S6-S10 VanDerWaalsContact O-CB 3.31Å; S6-S10 WeakPolarHBondContact O-CB 3.25Å; S6-S10 PolarHBondContact O-N 3.28Å; S6-S10 PolarHBondContact O-OG 3.41Å
7S85.9Confident82.3Confident57 Ų57112.5 Ų112.540%0.39959%0.588SS.*Hα-helixtrans-64.2-50.3174.5-171.60000111.8L3 A4 R9 S10 Q11L3-S7 PolarHBondContact O-N 2.99Å; A4-S7 WeakPolarHBondContact O-CB 3.39Å; A4-S7 PolarHBondContact O-N 3.06Å; S7-R9 PolarHBondContact O-N 3.31Å; S7-S10 CarbonylContact O-C 3.51Å; S7-S10 WeakPolarHBondContact O-CB 3.3Å; S7-S10 PolarHBondContact O-N 3.36Å; S7-S10 VanDerWaalsContact O-N 3.13Å; S7-Q11 WeakPolarHBondContact O-CG 3.45Å; S7-Q11 PolarHBondContact O-N 2.68Å
8Q90.7Very high83.1Confident124 Ų124114.9 Ų114.958%0.57959%0.588SS**Hα-helixtrans-60.1-46.2178.3-175.1179.2-300111.7A4 S10 Q11 I12A4-Q8 PolarHBondContact O-N 3.35Å; A4-Q8 VanDerWaalsContact O-N 3.1Å; Q8-S10 VanDerWaalsContact C-N 3.28Å; Q8-S10 PolarHBondContact O-N 3.2Å; Q8-Q11 PolarHBondContact O-N 3.19Å; Q8-I12 HydrophobicContact CG-CD1 4.12Å; Q8-I12 WeakPolarHBondContact O-CG1 3.36Å; Q8-I12 PolarHBondContact O-N 3.27Å
9R90.6Very high83.9Confident176 Ų176112.5 Ų112.566%0.66458%0.583SS**Hα-helixtrans-59.7-39.8175.7-170.2174.7-176.4-87.91.8111.8A5 S7 I12 I13A5-R9 WeakPolarHBondContact O-CB 3.44Å; A5-R9 PolarHBondContact O-N 3.17Å; S7-R9 PolarHBondContact O-N 3.31Å; R9-I12 PolarHBondContact O-N 3.06Å; R9-I13 HydrophobicContact CG-CD1 4.08Å; R9-I13 WeakPolarHBondContact O-CD1 3.43Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.43Å; R9-I13 PolarHBondContact O-N 2.83Å
10S93Very high84.6Confident53 Ų53111.1 Ų111.137%0.37158%0.579SS.*Hα-helixtrans-70.3-33.5177.1-57.60000113.2S6 S7 Q8 R14S6-S10 VanDerWaalsContact O-CB 3.31Å; S6-S10 WeakPolarHBondContact O-CB 3.25Å; S6-S10 PolarHBondContact O-N 3.28Å; S6-S10 PolarHBondContact O-OG 3.41Å; S7-S10 CarbonylContact O-C 3.51Å; S7-S10 WeakPolarHBondContact O-CB 3.3Å; S7-S10 PolarHBondContact O-N 3.36Å; S7-S10 VanDerWaalsContact O-N 3.13Å; Q8-S10 VanDerWaalsContact C-N 3.28Å; Q8-S10 PolarHBondContact O-N 3.2Å; S10-R14 WeakPolarHBondContact O-CB 3.5Å; S10-R14 VanDerWaalsContact O-CG 3.3Å; S10-R14 WeakPolarHBondContact O-CG 3.25Å; S10-R14 PolarHBondContact O-N 3.06Å; S10-R14 VanDerWaalsContact O-N 3.11Å; S10-R14 PolarHBondContact O-NE 3.03Å
11Q94.3Very high85.2Confident110 Ų110109.4 Ų109.451%0.51457%0.57SS.*Hα-helixtrans-65.9-45.6171.7-73.4172.5-20.600111.2S7 Q8 I13 R14 S15S7-Q11 WeakPolarHBondContact O-CG 3.45Å; S7-Q11 PolarHBondContact O-N 2.68Å; Q8-Q11 PolarHBondContact O-N 3.19Å; Q11-I13 PolarHBondContact O-N 2.78Å; Q11-R14 PolarHBondContact O-N 2.81Å; Q11-S15 WeakPolarHBondContact O-CB 3.49Å; Q11-S15 PolarHBondContact O-N 3.16Å
12I95.3Very high87.2Confident83 Ų83103.6 Ų103.643%0.42654%0.541SS..Hα-helixtrans-60.7-45.7177.5-66.2164000111Q8 R9 S15 K16Q8-I12 HydrophobicContact CG-CD1 4.12Å; Q8-I12 WeakPolarHBondContact O-CG1 3.36Å; Q8-I12 PolarHBondContact O-N 3.27Å; R9-I12 PolarHBondContact O-N 3.06Å; I12-S15 PolarHBondContact O-N 2.86Å; I12-K16 HydrophobicContact CG2-CD 4.33Å; I12-K16 WeakPolarHBondContact O-CG 3.17Å; I12-K16 PolarHBondContact O-N 3.46Å
13I95.9Very high89.1Confident90 Ų90102.7 Ų102.746%0.46253%0.53SS..Hα-helixtrans-61.4-47.4178.3-68.9164.1000111.1R9 Q11 S15 K16 F17R9-I13 HydrophobicContact CG-CD1 4.08Å; R9-I13 WeakPolarHBondContact O-CD1 3.43Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.43Å; R9-I13 PolarHBondContact O-N 2.83Å; Q11-I13 PolarHBondContact O-N 2.78Å; I13-S15 PolarHBondContact O-N 3.01Å; I13-K16 PolarHBondContact O-N 3.26Å; I13-F17 PolarHBondContact O-N 3.01Å
14R95.8Very high90.9Very high157 Ų157104.1 Ų104.159%0.59253%0.526SS*.Hα-helixtrans-63.2-40177.8-73.9178.7-68.2-170.52.7112.3S10 Q11 F17 R18S10-R14 WeakPolarHBondContact O-CB 3.5Å; S10-R14 VanDerWaalsContact O-CG 3.3Å; S10-R14 WeakPolarHBondContact O-CG 3.25Å; S10-R14 PolarHBondContact O-N 3.06Å; S10-R14 VanDerWaalsContact O-N 3.11Å; S10-R14 PolarHBondContact O-NE 3.03Å; Q11-R14 PolarHBondContact O-N 2.81Å; R14-F17 PolarHBondContact O-N 3.47Å; R14-R18 WeakPolarHBondContact O-CB 3.2Å; R14-R18 PolarHBondContact O-N 2.71Å
15S97.1Very high92.6Very high64 Ų64104.7 Ų104.745%0.44852%0.517SS..Hα-helixtrans-63.2-47.4176.4-171.90000111.8Q11 I12 I13 F17 R18 S19Q11-S15 WeakPolarHBondContact O-CB 3.49Å; Q11-S15 PolarHBondContact O-N 3.16Å; I12-S15 PolarHBondContact O-N 2.86Å; I13-S15 PolarHBondContact O-N 3.01Å; S15-F17 PolarHBondContact O-N 3.2Å; S15-R18 PolarHBondContact O-N 3.08Å; S15-S19 WeakPolarHBondContact O-CB 3.46Å; S15-S19 PolarHBondContact O-N 3.45Å
16K97.8Very high94.2Very high146 Ų146106.6 Ų106.664%0.63552%0.515SS*.Hα-helixtrans-60.8-44.2175.7-73.4-172.1176.8-166.10112.2I12 I13 S19 V20I12-K16 HydrophobicContact CG2-CD 4.33Å; I12-K16 WeakPolarHBondContact O-CG 3.17Å; I12-K16 PolarHBondContact O-N 3.46Å; I13-K16 PolarHBondContact O-N 3.26Å; K16-S19 PolarHBondContact O-N 3.28Å; K16-V20 WeakPolarHBondContact O-CG2 3.43Å; K16-V20 PolarHBondContact O-N 3.48Å
17F98.2Very high95.3Very high144 Ų144110.1 Ų110.163%0.63252%0.518SS*.Hα-helixtrans-61-45.7175.9-178.1-95.5000111.8I13 R14 S15 S19 V20 L21I13-F17 PolarHBondContact O-N 3.01Å; R14-F17 PolarHBondContact O-N 3.47Å; S15-F17 PolarHBondContact O-N 3.2Å; F17-S19 PolarHBondContact O-N 2.91Å; F17-V20 PolarHBondContact O-N 3.21Å; F17-L21 HydrophobicContact CE1-CD2 4.03Å; F17-L21 VanDerWaalsContact O-CB 3.26Å; F17-L21 WeakPolarHBondContact O-CB 3.31Å; F17-L21 PolarHBondContact O-N 3.42Å
18R97.5Very high95.6Very high156 Ų156115.9 Ų115.959%0.58953%0.531SS*.Hα-helixtrans-59.2-46176.8-167.8-175.272.3-173.50.6111.6R14 S15 L21 Q22R14-R18 WeakPolarHBondContact O-CB 3.2Å; R14-R18 PolarHBondContact O-N 2.71Å; S15-R18 PolarHBondContact O-N 3.08Å; R18-L21 PolarHBondContact O-N 3.11Å; R18-Q22 WeakPolarHBondContact O-CB 3.39Å; R18-Q22 VanDerWaalsContact O-CG 3.25Å; R18-Q22 WeakPolarHBondContact O-CG 3.41Å; R18-Q22 PolarHBondContact O-N 2.69Å; R18-Q22 PolarHBondContact O-OE1 3Å
19S97.8Very high95.4Very high69 Ų69114.3 Ų114.348%0.48353%0.527SS..Hα-helixtrans-62.3-47.1178.3173.30000112.4S15 K16 F17 L21 Q22 L23S15-S19 WeakPolarHBondContact O-CB 3.46Å; S15-S19 PolarHBondContact O-N 3.45Å; K16-S19 PolarHBondContact O-N 3.28Å; F17-S19 PolarHBondContact O-N 2.91Å; S19-L21 VanDerWaalsContact C-N 3.35Å; S19-L21 PolarHBondContact O-N 2.98Å; S19-Q22 PolarHBondContact O-N 3.45Å; S19-L23 WeakPolarHBondContact O-CB 3.4Å; S19-L23 PolarHBondContact O-N 3.13Å
20V98Very high94.7Very high85 Ų85110.1 Ų110.152%0.51552%0.515SS..Hα-helixtrans-65.6-37.9177.6172.80000111.7K16 F17 L23 R24K16-V20 WeakPolarHBondContact O-CG2 3.43Å; K16-V20 PolarHBondContact O-N 3.48Å; F17-V20 PolarHBondContact O-N 3.21Å; V20-L23 PolarHBondContact O-N 3.25Å; V20-R24 WeakPolarHBondContact O-CB 3.27Å; V20-R24 PolarHBondContact O-N 2.91Å
21L98.1Very high93.4Very high75 Ų75112 Ų11239%0.39352%0.521SS..Hα-helixtrans-65.1-46.1174.9-179.761.6000111.4F17 R18 S19 L23 R24 I25F17-L21 HydrophobicContact CE1-CD2 4.03Å; F17-L21 VanDerWaalsContact O-CB 3.26Å; F17-L21 WeakPolarHBondContact O-CB 3.31Å; F17-L21 PolarHBondContact O-N 3.42Å; R18-L21 PolarHBondContact O-N 3.11Å; S19-L21 VanDerWaalsContact C-N 3.35Å; S19-L21 PolarHBondContact O-N 2.98Å; L21-L23 PolarHBondContact O-N 3.4Å; L21-R24 PolarHBondContact O-N 3.36Å; L21-I25 HydrophobicContact CD1-CD1 4.07Å; L21-I25 HydrophobicContact CD1-CG1 4.41Å; L21-I25 HydrophobicContact CG-CD1 3.96Å; L21-I25 WeakPolarHBondContact O-CG1 3.39Å; L21-I25 PolarHBondContact O-N 2.9Å
22Q97.3Very high91.7Very high110 Ų110111 Ų11151%0.51453%0.525SS..Hα-helixtrans-59.1-44.6174.8-75.9174.4-55.900111.4R18 S19 R24 I25 H26R18-Q22 WeakPolarHBondContact O-CB 3.39Å; R18-Q22 VanDerWaalsContact O-CG 3.25Å; R18-Q22 WeakPolarHBondContact O-CG 3.41Å; R18-Q22 PolarHBondContact O-N 2.69Å; R18-Q22 PolarHBondContact O-OE1 3Å; S19-Q22 PolarHBondContact O-N 3.45Å; Q22-R24 PolarHBondContact O-N 3.39Å; Q22-I25 PolarHBondContact O-N 3.07Å; Q22-H26 VanDerWaalsContact O-CB 3.3Å; Q22-H26 WeakPolarHBondContact O-CB 3.44Å; Q22-H26 PolarHBondContact O-N 3.46Å
23L97.4Very high89.9Confident105 Ų105111.2 Ų111.255%0.5553%0.53SS..Hα-helixtrans-63.7-40176.7-177.462.5000112.2S19 V20 L21 H26 R27S19-L23 WeakPolarHBondContact O-CB 3.4Å; S19-L23 PolarHBondContact O-N 3.13Å; V20-L23 PolarHBondContact O-N 3.25Å; L21-L23 PolarHBondContact O-N 3.4Å; L23-H26 PolarHBondContact O-N 2.94Å; L23-R27 HydrophobicContact CD1-CG 4.43Å; L23-R27 WeakPolarHBondContact O-CG 3.4Å; L23-R27 PolarHBondContact O-N 3.09Å
24R96.9Very high88Confident179 Ų179111.7 Ų111.768%0.67554%0.542SS*.Hα-helixtrans-65.5-42176.7-176.9177.7-67.6172.4-1.5112.1V20 L21 Q22 R28V20-R24 WeakPolarHBondContact O-CB 3.27Å; V20-R24 PolarHBondContact O-N 2.91Å; L21-R24 PolarHBondContact O-N 3.36Å; Q22-R24 PolarHBondContact O-N 3.39Å; R24-R28 WeakPolarHBondContact O-CB 3.35Å; R24-R28 PolarHBondContact O-N 2.91Å
25I96.8Very high85.7Confident84 Ų84111 Ų11143%0.43155%0.55SS.*Hα-helixtrans-65.4-46.5175-67.2165.5000109.8L21 Q22 R28 N29L21-I25 HydrophobicContact CD1-CD1 4.07Å; L21-I25 HydrophobicContact CD1-CG1 4.41Å; L21-I25 HydrophobicContact CG-CD1 3.96Å; L21-I25 WeakPolarHBondContact O-CG1 3.39Å; L21-I25 PolarHBondContact O-N 2.9Å; Q22-I25 PolarHBondContact O-N 3.07Å; I25-R28 PolarHBondContact O-N 2.78Å; I25-N29 WeakPolarHBondContact O-CB 3.29Å; I25-N29 PolarHBondContact O-N 2.8Å; I25-N29 PolarHBondContact O-OD1 2.86Å
26H95.1Very high83.5Confident105 Ų105112.2 Ų112.249%0.48656%0.558SS.*Hα-helixtrans-59.5-51179.3-173.378.1000111.5Q22 L23 R28 N29 Q30Q22-H26 VanDerWaalsContact O-CB 3.3Å; Q22-H26 WeakPolarHBondContact O-CB 3.44Å; Q22-H26 PolarHBondContact O-N 3.46Å; L23-H26 PolarHBondContact O-N 2.94Å; H26-R28 PolarHBondContact O-N 2.97Å; H26-N29 PolarHBondContact O-N 3.43Å; H26-Q30 PolarHBondContact CE1-NE2 3.22Å; H26-Q30 VanDerWaalsContact CE1-NE2 3.27Å; H26-Q30 PolarHBondContact NE2-NE2 2.81Å; H26-Q30 VanDerWaalsContact O-CG 3.29Å; H26-Q30 WeakPolarHBondContact O-CG 3.16Å; H26-Q30 PolarHBondContact O-N 3.31Å
27R91.9Very high81Confident141 Ų141110.3 Ų110.353%0.53256%0.555SS.*Hα-helixtrans-56.5-49.8175-73.1-172.774.7-84.1-10.7111.9L23 N29 Q30 D31L23-R27 HydrophobicContact CD1-CG 4.43Å; L23-R27 WeakPolarHBondContact O-CG 3.4Å; L23-R27 PolarHBondContact O-N 3.09Å; R27-N29 PolarHBondContact O-N 3.26Å; R27-Q30 PolarHBondContact O-N 2.96Å; R27-Q30 VanDerWaalsContact O-N 3.1Å; R27-D31 IonicContact NH1-OD2 3.84Å; R27-D31 IonicContact NH2-OD1 3.94Å; R27-D31 WeakPolarHBondContact O-CB 3.38Å; R27-D31 PolarHBondContact O-N 3.45Å; R27-D31 VanDerWaalsContact O-OD2 3.1Å
28R92.4Very high78.7Confident177 Ų177108.6 Ų108.667%0.66856%0.558SS**Hα-helixtrans-58-35.9179.3-177.2179.6179.683.93.2112.6R24 I25 H26 C32R24-R28 WeakPolarHBondContact O-CB 3.35Å; R24-R28 PolarHBondContact O-N 2.91Å; I25-R28 PolarHBondContact O-N 2.78Å; H26-R28 PolarHBondContact O-N 2.97Å; R28-C32 PolarHBondContact O-N 3.1Å; R28-C32 PolarHBondContact O-SG 3.4Å; R28-C32 VanDerWaalsContact O-SG 3.38Å
29N87.2Confident76.1Confident92 Ų92111.9 Ų111.949%0.49257%0.571SS.*Hα-helixtrans-73.8-41177.5-66.5-4.4000111.3I25 H26 R27 C32 T33I25-N29 WeakPolarHBondContact O-CB 3.29Å; I25-N29 PolarHBondContact O-N 2.8Å; I25-N29 PolarHBondContact O-OD1 2.86Å; H26-N29 PolarHBondContact O-N 3.43Å; R27-N29 PolarHBondContact O-N 3.26Å; N29-C32 PolarHBondContact O-N 3.1Å; N29-C32 VanDerWaalsContact O-N 3.12Å; N29-T33 PolarHBondContact O-N 2.9Å; N29-T33 PolarHBondContact O-OG1 3.4Å
30Q75.8Confident73.6Confident87 Ų87115.3 Ų115.341%0.40758%0.582SS.*Hα-helixtrans-61.2-44.7173.9-65.8-72.915.300111.5H26 R27 C32 T33 S34H26-Q30 PolarHBondContact CE1-NE2 3.22Å; H26-Q30 VanDerWaalsContact CE1-NE2 3.27Å; H26-Q30 PolarHBondContact NE2-NE2 2.81Å; H26-Q30 VanDerWaalsContact O-CG 3.29Å; H26-Q30 WeakPolarHBondContact O-CG 3.16Å; H26-Q30 PolarHBondContact O-N 3.31Å; R27-Q30 PolarHBondContact O-N 2.96Å; R27-Q30 VanDerWaalsContact O-N 3.1Å; Q30-C32 PolarHBondContact O-N 3.12Å; Q30-C32 VanDerWaalsContact O-N 3.1Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.34Å; Q30-T33 PolarHBondContact O-N 3.33Å; Q30-T33 PolarHBondContact O-OG1 3.38Å; Q30-S34 WeakPolarHBondContact O-CB 3.47Å; Q30-S34 PolarHBondContact O-N 3.2Å; Q30-S34 PolarHBondContact O-OG 3.06Å; Q30-S34 VanDerWaalsContact O-OG 3.13Å
31D65.1Low71.2Confident93 Ų93116.8 Ų116.850%0.49760%0.597SS.*Hα-helixtrans-57.9-24.5175.7-60.1-32.6000111.6R27R27-D31 IonicContact NH1-OD2 3.84Å; R27-D31 IonicContact NH2-OD1 3.94Å; R27-D31 WeakPolarHBondContact O-CB 3.38Å; R27-D31 PolarHBondContact O-N 3.45Å; R27-D31 VanDerWaalsContact O-OD2 3.1Å
32C57.4Low68.4Low89 Ų89117.8 Ų117.860%0.60162%0.616SS**Hα-helixtrans-94.7-22.7175.2-67.90000114.6R28 N29 Q30R28-C32 PolarHBondContact O-N 3.1Å; R28-C32 PolarHBondContact O-SG 3.4Å; R28-C32 VanDerWaalsContact O-SG 3.38Å; N29-C32 PolarHBondContact O-N 3.1Å; N29-C32 VanDerWaalsContact O-N 3.12Å; Q30-C32 PolarHBondContact O-N 3.12Å; Q30-C32 VanDerWaalsContact O-N 3.1Å
33T58.4Low65.6Low87 Ų87118.4 Ų118.453%0.53463%0.632SS.*Hα-helixtrans-89.2-21.7176.850.40000113.2N29 Q30 D35N29-T33 PolarHBondContact O-N 2.9Å; N29-T33 PolarHBondContact O-OG1 3.4Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.34Å; Q30-T33 PolarHBondContact O-N 3.33Å; Q30-T33 PolarHBondContact O-OG1 3.38Å; T33-D35 VanDerWaalsContact C-N 3.32Å
34S55.3Low62.8Low101 Ų101116.7 Ų116.771%0.70664%0.639SS**THydrogen-bonded Turntrans-77.4-15.7175.4-61.80000113.8Q30 S36Q30-S34 WeakPolarHBondContact O-CB 3.47Å; Q30-S34 PolarHBondContact O-N 3.2Å; Q30-S34 PolarHBondContact O-OG 3.06Å; Q30-S34 VanDerWaalsContact O-OG 3.13Å; S34-S36 PolarHBondContact O-N 2.92Å
35D48.9Very low60.3Low143 Ų143114.6 Ų114.677%0.76565%0.649SS**THydrogen-bonded Turntrans-91.721.3176.8-155.225.3000112T33T33-D35 VanDerWaalsContact C-N 3.32Å
36S50.1Low57.1Low88 Ų88115.5 Ų115.562%0.61567%0.669SS**  trans-105.686.7171.9-65.40000108.8S34S34-S36 PolarHBondContact O-N 2.92Å
37D45.2Very low54.4Low107 Ų107118.9 Ų118.957%0.57269%0.69SS**  trans-52122.8175-96.8-40000110.7W39 I40D37-W39 PolarHBondContact O-N 3.26Å; D37-I40 HydrophobicContact CB-CD1 4.48Å; D37-I40 HydrophobicContact CB-CG1 4.25Å; D37-I40 PolarHBondContact O-N 3Å
38P50Low51.6Low107 Ų107116.2 Ų116.270%0.69570%0.698SS**THydrogen-bonded Turntrans-66-9178.127.6-34.5000112.9
39W43.2Very low49.4Very low225 Ų225113.7 Ų113.785%0.85270%0.704SS**THydrogen-bonded Turntrans-80.1-13-179.7-66.289.2000114.1D37D37-W39 PolarHBondContact O-N 3.26Å
40I45.5Very low46.6Very low141 Ų141113.3 Ų113.372%0.72371%0.714SS**SBendtrans-103.941.2178.6-36.3-179.2000111.5D37D37-I40 HydrophobicContact CB-CD1 4.48Å; D37-I40 HydrophobicContact CB-CG1 4.25Å; D37-I40 PolarHBondContact O-N 3Å
41S46.3Very low44.6Very low117 Ų117117.1 Ų117.182%0.81874%0.736SS**SBendtrans-150.440.7169.8-79.70000113.1
42A40.8Very low43.7Very low96 Ų96118.1 Ų118.179%0.79375%0.748SS**  trans-133.365.8173.200000111.8
43S36.8Very low43.4Very low123 Ų123119.4 Ų119.486%0.8676%0.755SS**  trans-128.563.5164.4-167.60000110.2
44G39.3Very low42.3Very low68 Ų68122.1 Ų122.170%0.70177%0.771SS**PPolyproline II helixtrans-83.5124.9161.700000108.9A46G44-A46 PolarHBondContact O-N 3.27Å
45P43.6Very low42.3Very low135 Ų135123 Ų12388%0.87777%0.774SS**PPolyproline II helixtrans-70.4118.9175.527.6-32000110
46A30.5Very low41.6Very low104 Ų104120.7 Ų120.786%0.8678%0.776SS**PPolyproline II helixtrans-75157.6179.100000113G44G44-A46 PolarHBondContact O-N 3.27Å
47L38.4Very low41Very low175 Ų175120.8 Ų120.892%0.91678%0.776SS**PPolyproline II helixtrans-85.7150-167-173.678.4000114.3
48A33Very low40.6Very low85 Ų85124.8 Ų124.870%0.70279%0.789SS**  trans158.4158.9136.500000113.4
49P45.7Very low40.1Very low124 Ų124127.1 Ų127.181%0.80580%0.795SS**  cis-137.7174.9-30.536.1-17.6000116.1
50A29.9Very low39.5Very low84 Ų84122.3 Ų122.369%0.69479%0.79SS**  trans82.993.5148.300000124.3
51L33.2Very low39.2Very low167 Ų167121.2 Ų121.287%0.87480%0.795SS**  59.3156.7120.5-66.3-177.7000123.3
52P46.6Very low39.1Very low115 Ų115121.7 Ų121.775%0.74780%0.795SS**  cis-131.3-136.8-20.639.1-16.1000113
53P50.3Low38.7Very low115 Ų115120.8 Ų120.875%0.74780%0.795SS**  -123.2169.7-128.737.8-16.6000117.3
54V36.3Very low39Very low144 Ų144123 Ų12387%0.87380%0.796SS**  trans178.9152.1142.8138.60000110.9
55P54.5Low38.9Very low119 Ų119128 Ų12877%0.77381%0.805SS**  trans-118.7156.3-161.140.7-29.4000116.8
56A33.4Very low38.5Very low96 Ų96126.9 Ų126.979%0.79380%0.801SS**  trans-179.8151.8150.400000108.9
57S38.3Very low38.9Very low89 Ų89126.6 Ų126.662%0.62280%0.798SS**  cis166.4108.9-21.6-97.20000106
58F37.6Very low38.8Very low192 Ų192126.6 Ų126.684%0.84279%0.793SS**  trans63.5141.5165.9-43.1-73.2000117.2
59L38.2Very low39.2Very low155 Ų155128.5 Ų128.581%0.81280%0.799SS**  -165.2145.155.3-86.8170000113.2
60V32.2Very low38.9Very low124 Ų124126.5 Ų126.575%0.75279%0.793SS**  trans64.4112146.2-176.30000120.4
61S38.7Very low39Very low119 Ų119131.7 Ų131.783%0.83280%0.796SS**  trans-119.5149.2133.8-62.60000106.5
62P44.5Very low39.4Very low127 Ų127128.7 Ų128.783%0.82579%0.788SS**  -146.9158.97838-20.3000115.7
63G31.2Very low39.4Very low77 Ų77128.1 Ų128.179%0.79478%0.784SS**  trans-175.993.8172.100000112.6
64I42.8Very low38.8Very low169 Ų169134 Ų13487%0.86779%0.792SS**  trans-77.7120176-63.7166.6000109
65L38Very low39.1Very low173 Ų173138.6 Ų138.691%0.90679%0.793SS**  trans-136.4138.8155.2-78.7-179.1000110.8
66S35.5Very low38.6Very low112 Ų112138 Ų13878%0.78379%0.792SS**  trans-61.6136.7-175.5-174.50000112.1E68S66-E68 PolarHBondContact O-N 3.07Å
67A37.8Very low39Very low97 Ų97139.6 Ų139.680%0.80279%0.794SS**  trans-69.2110.5166.900000109.5
68E36.7Very low38.9Very low175 Ų175145.2 Ų145.282%0.81881%0.807SS**  trans-78.3126.7175.5-170.4172.2155.200109.8S66 A70S66-E68 PolarHBondContact O-N 3.07Å; E68-A70 PolarHBondContact O-N 3.32Å
69P42.1Very low39.1Very low125 Ų125146.2 Ų146.281%0.81281%0.811SS**  trans-74.798178.729.7-32.6000109.5Y71P69-Y71 PolarHBondContact O-N 2.75Å
70A38.7Very low39Very low83 Ų83147.6 Ų147.669%0.68681%0.813SS**  trans-53.5121.4-179.700000111.8E68 C72E68-A70 PolarHBondContact O-N 3.32Å; A70-C72 PolarHBondContact O-N 3.43Å; A70-C72 VanDerWaalsContact O-N 3.15Å
71Y33Very low39.6Very low192 Ų192147.1 Ų147.175%0.75382%0.816SS**  trans-58.4112.1172.9171-94.1000110.5P69 P73P69-Y71 PolarHBondContact O-N 2.75Å; Y71-P73 VanDerWaalsContact O-CD 3.27Å; Y71-P73 WeakPolarHBondContact O-CD 3.44Å
72C41Very low39.4Very low104 Ų104146.7 Ų146.770%0.70381%0.813SS**  trans-78.2116.6176.4-70.30000111.3A70 W74A70-C72 PolarHBondContact O-N 3.43Å; A70-C72 VanDerWaalsContact O-N 3.15Å; C72-W74 PolarHBondContact O-N 3.11Å
73P46.4Very low39.6Very low103 Ų103150.1 Ų150.167%0.66982%0.815SS**  trans-71.9124.6172.3-14.331.4000110.1Y71 R75Y71-P73 VanDerWaalsContact O-CD 3.27Å; Y71-P73 WeakPolarHBondContact O-CD 3.44Å; P73-R75 PolarHBondContact O-N 3.05Å; P73-R75 VanDerWaalsContact O-N 3.12Å
74W37.1Very low39.9Very low240 Ų240154.3 Ų154.391%0.90982%0.819SS**  trans-57.3113.7-177.6-69.479.4000112.4C72C72-W74 PolarHBondContact O-N 3.11Å
75R43.7Very low39.9Very low240 Ų240151.4 Ų151.491%0.90681%0.814SS**PPolyproline II helixtrans-83.3117.8167.7-90.1-79-146.4-150.80.2109.9P73P73-R75 PolarHBondContact O-N 3.05Å; P73-R75 VanDerWaalsContact O-N 3.12Å
76S44.5Very low39.9Very low106 Ų106150.7 Ų150.774%0.74181%0.806SS**PPolyproline II helixtrans-68.4135.6171.9-45.10000111.3K78S76-K78 PolarHBondContact O-N 3.44Å
77P41.7Very low40.9Very low130 Ų130152.7 Ų152.784%0.84480%0.802SS**PPolyproline II helixtrans-66131.717326.2-32.3000110.6
78K36.4Very low40.5Very low206 Ų206158.5 Ų158.590%0.89680%0.804SS**PPolyproline II helixtrans-74.3131.1-175.7-143.5175.4-175.7-1770109.1S76 E80S76-K78 PolarHBondContact O-N 3.44Å; K78-E80 PolarHBondContact O-N 3.29Å
79K41.8Very low41Very low213 Ų213158.8 Ų158.893%0.92680%0.802SS**PPolyproline II helixtrans-64.2123.2174.8-73.3-178175.4-179.10110.2
80E36Very low41Very low184 Ų184161.3 Ų161.386%0.8680%0.803SS**  trans-105.6123.4164.3-173.1161.4-164.700109.1K78K78-E80 PolarHBondContact O-N 3.29Å
81S44Very low41.2Very low114 Ų114162.9 Ų162.980%0.79781%0.806SS**  trans-102.490.3-171.547.50000112K83S81-K83 PolarHBondContact O-N 3.34Å
82S35.1Very low42.2Very low111 Ų111163.8 Ų163.878%0.77681%0.814SS**  trans-77.1111.2170.5-69.10000111.1
83K49Very low42.5Very low199 Ų199165.5 Ų165.587%0.86582%0.821SS**  trans-65.4128.5174-73.6164173.8167.90110.6S81S81-K83 PolarHBondContact O-N 3.34Å
84N36.5Very low42.5Very low164 Ų164172.2 Ų172.288%0.87783%0.833SS**  trans-143.1115.8150.8-93.2-55.4000108.9
85S42.8Very low42.7Very low109 Ų109163.8 Ų163.876%0.76282%0.821SS**  trans-114.4108.2179.8179.30000108.6
86Q38.6Very low43.4Very low158 Ų158159.7 Ų159.774%0.73882%0.817SS**  trans-109.6114.2167.7-76-167.7-19.200109.1
87H56.9Low43.7Very low153 Ų153160.5 Ų160.571%0.70881%0.812SS**PPolyproline II helixtrans-92.2116178.658.2-76.8000108.2
88W28.4Very low44.4Very low219 Ų219159.8 Ų159.883%0.8381%0.806SS**PPolyproline II helixtrans-91.5139.1174.9-70.689.7000109.9
89K48.4Very low44.8Very low182 Ų182159 Ų15979%0.79180%0.798SS**PPolyproline II helixtrans-100.7124.9178.7-76.4-78-171.4-178.90109.6
90E40.5Very low45.4Very low177 Ų177157.4 Ų157.483%0.82779%0.794SS**PPolyproline II helixtrans-60.4132.5168.8-90.978.6-172.700112.9
91P43.2Very low46Very low116 Ų116156.5 Ų156.575%0.75379%0.794SS**PPolyproline II helixtrans-82142.1163.333-31.8000111.3
92K55.2Low46.4Very low211 Ų211160 Ų16092%0.91779%0.791SS**  trans-95105.4-170.3-162.1161.6-173167.30111.2
93V46.1Very low47.9Very low140 Ų140161.7 Ų161.785%0.84879%0.789SS**  trans-81123.3-179.1-177.50000111
94R46.2Very low47.9Very low245 Ų245156 Ų15693%0.92577%0.772SS**  trans-119.7106.7174.4-167.6-178.9-165.5-95.75107.8
95G41.3Very low48.6Very low63 Ų63153.4 Ų153.465%0.64976%0.764SS**  trans-162.498.7-174.400000111.9
96N58.7Low48.6Very low154 Ų154156.2 Ų156.282%0.82477%0.765SS**  trans-66.3122.4-18044.3-54.4000113
97L50.1Low48.8Very low123 Ų123152.3 Ų152.364%0.64477%0.767SS**  trans-111112.6174-171.368.7000110.8Y99L97-Y99 HydrophobicContact CB-CE2 4.47Å; L97-Y99 HydrophobicContact CD2-CD2 4.47Å; L97-Y99 HydrophobicContact CD2-CE1 4.11Å; L97-Y99 HydrophobicContact CD2-CE2 3.85Å; L97-Y99 HydrophobicContact CG-CE2 4.28Å; L97-Y99 PolarHBondContact O-N 2.92Å
98T56.7Low47.9Very low115 Ų115156.4 Ų156.471%0.70678%0.776SS**  trans-83.4104.7174.9-41.80000109.3H100T98-H100 PolarHBondContact O-N 3.18Å
99Y44.9Very low48.5Very low188 Ų188154.6 Ų154.674%0.73778%0.777SS**PPolyproline II helixtrans-75.3117.5177.7-76-91.3000111.2L97L97-Y99 HydrophobicContact CB-CE2 4.47Å; L97-Y99 HydrophobicContact CD2-CD2 4.47Å; L97-Y99 HydrophobicContact CD2-CE1 4.11Å; L97-Y99 HydrophobicContact CD2-CE2 3.85Å; L97-Y99 HydrophobicContact CG-CE2 4.28Å; L97-Y99 PolarHBondContact O-N 2.92Å
100H55.5Low48Very low181 Ų181149.1 Ų149.184%0.83877%0.772SS**PPolyproline II helixtrans-77.8118.6159.8-72.3-77.7000109T98 Y102T98-H100 PolarHBondContact O-N 3.18Å; H100-Y102 PolarHBondContact O-N 2.89Å
101L48.2Very low48.1Very low165 Ų165146.5 Ų146.586%0.86477%0.771SS**PPolyproline II helixtrans-68.9118.5179.1-70.7161.5000110.2
102Y51.2Low48.1Very low188 Ų188151.3 Ų151.374%0.73777%0.774SS**PPolyproline II helixtrans-80.9121.6171.2176.5-97.9000110.3H100 P104H100-Y102 PolarHBondContact O-N 2.89Å; Y102-P104 HydrophobicContact CE1-CB 4.49Å
103M67.9Low47.2Very low146 Ų146145.9 Ų145.972%0.71977%0.768SS**PPolyproline II helixtrans-93.6126.2170.8-68.5-99.155.500109.3
104P48.8Very low46.7Very low80 Ų80145 Ų14552%0.51976%0.759SS.*PPolyproline II helixtrans-69.5141.7172.5-13.228.4000110.4Y102 E106Y102-P104 HydrophobicContact CE1-CB 4.49Å; P104-E106 PolarHBondContact O-N 3.43Å
105P50.1Low46.4Very low109 Ų109141.6 Ų141.671%0.70876%0.758SS**PPolyproline II helixtrans-67.8127.7179.827.3-33.9000111.5
106E44.1Very low46Very low167 Ų167147 Ų14778%0.7877%0.767SS**PPolyproline II helixtrans-65.1150.1176.5-64.690.5169.800112.7P104 R108P104-E106 PolarHBondContact O-N 3.43Å; E106-R108 PolarHBondContact O-N 2.82Å
107G41.4Very low44.8Very low76 Ų76144.5 Ų144.578%0.78477%0.767SS**  trans-63.2105.6174.500000111.1Q109G107-Q109 PolarHBondContact O-N 2.89Å
108R39.3Very low44.2Very low239 Ų239147.6 Ų147.690%0.90278%0.778SS**  trans-64.797.1-179.7-167.3-168.7-61.2-138.43.9110.9E106 G110E106-R108 PolarHBondContact O-N 2.82Å; R108-G110 PolarHBondContact O-N 3.23Å
109Q40.2Very low43Very low181 Ų181145.4 Ų145.485%0.84678%0.778SS**PPolyproline II helixtrans-57.2129.2159.7-69.2-178.66.700108.6G107G107-Q109 PolarHBondContact O-N 2.89Å
110G37.5Very low42.5Very low67 Ų67141.8 Ų141.869%0.69178%0.781SS**PPolyproline II helixtrans-72.2132.317300000110.3R108 R112R108-G110 PolarHBondContact O-N 3.23Å; G110-R112 PolarHBondContact O-N 3.5Å
111P44Very low41.6Very low122 Ų122138.7 Ų138.779%0.79278%0.775SS**PPolyproline II helixtrans-72.6130.8177.329-32.7000110.7A113P111-A113 PolarHBondContact O-N 3.05Å
112R42.1Very low41Very low217 Ų217138.9 Ų138.982%0.81978%0.776SS**PPolyproline II helixtrans-59.6127.9158.8170.6-167.3-81-997.4108.1G110 D114G110-R112 PolarHBondContact O-N 3.5Å; R112-D114 IonicContact CZ-OD2 3.96Å; R112-D114 IonicContact NH1-OD2 2.89Å; R112-D114 PolarHBondContact NH1-OD2 2.95Å
113A37.5Very low40.2Very low97 Ų97133.3 Ų133.380%0.80278%0.776SS**  trans-135.187.4170.500000109.6P111P111-A113 PolarHBondContact O-N 3.05Å
114D34.3Very low39.3Very low122 Ų122132.4 Ų132.465%0.65278%0.781SS**  trans-86.3109.8159.4-66.9-61.8000107.2R112R112-D114 IonicContact CZ-OD2 3.96Å; R112-D114 IonicContact NH1-OD2 2.89Å; R112-D114 PolarHBondContact NH1-OD2 2.95Å
115L39.7Very low39Very low173 Ų173134.9 Ų134.991%0.90680%0.797SS**  trans-151.7136.7154.7-96.8-173.7000110.4
116Q34.1Very low38.3Very low178 Ų178133.2 Ų133.283%0.83280%0.8SS**  trans-72.6144.4-172.7-60.1167.9-79.800112.7
117A33.9Very low38.6Very low101 Ų101131.2 Ų131.284%0.83580%0.801SS**  trans-143.8120.6145.500000108.6
118E36.5Very low38.8Very low187 Ų187133.1 Ų133.187%0.87480%0.799SS**  trans-66.5150175.2-67.6-94.7112.400111.2
119G31.9Very low38.7Very low69 Ų69128.8 Ų128.871%0.71179%0.793SS**  trans146.284.1161.900000117.9
120S35Very low38.5Very low113 Ų113130.9 Ų130.979%0.7979%0.794SS**  trans57.3109145-72.10000122
121T35.8Very low38.3Very low116 Ų116135.9 Ų135.971%0.71280%0.799SS**  91.8117.3113.7-56.70000120.1
122L36.4Very low37.5Very low169 Ų169137 Ų13789%0.88579%0.794SS**  trans76.6125.4163.9-64.2162.2000118.4
123G32.6Very low37Very low71 Ų71136.2 Ų136.273%0.73280%0.796SS**  trans-81.2177.9177.300000113.9
124P49.2Very low36.7Very low127 Ų127137.1 Ų137.183%0.82579%0.788SS**  -150.117880.341.1-24.8000115.5
125P43.8Very low36.8Very low131 Ų131136.8 Ų136.885%0.85180%0.795SS**  trans-123.7131156.735.4-22.8000114.1
126G34.9Very low36.5Very low75 Ų75137.5 Ų137.577%0.77379%0.793SS**  trans108.3120.115500000118
127P49.8Very low36.5Very low125 Ų125134.2 Ų134.281%0.81279%0.79SS**  trans-132.8169.2137.337.8-26.6000112
128P47.1Very low37Very low115 Ų115135 Ų13575%0.74779%0.786SS**  cis-119.1125.67.434.7-18.9000114.8
129L36.1Very low37.2Very low148 Ų148134.7 Ų134.778%0.77579%0.785SS**  trans-64.2119.7143.8175.370.3000107.3E131L129-E131 HydrophobicContact CD2-CG 4.22Å; L129-E131 HydrophobicContact CG-CG 4.42Å; L129-E131 PolarHBondContact O-N 2.86Å
130W36.9Very low37.7Very low226 Ų226137.5 Ų137.586%0.85679%0.791SS**  trans-84.2110.4168.650.9-86.9000108.2E132W130-E132 PolarHBondContact O-N 3.45Å
131E31.8Very low38Very low171 Ų171142.4 Ų142.480%0.79979%0.792SS**  trans-72.9129.1-179.3-83.1-177.3137.300112.2L129 K133L129-E131 HydrophobicContact CD2-CG 4.22Å; L129-E131 HydrophobicContact CG-CG 4.42Å; L129-E131 PolarHBondContact O-N 2.86Å; E131-K133 PolarHBondContact O-N 3.4Å
132E28.5Very low38Very low147 Ų147145.4 Ų145.469%0.68780%0.8SS**  trans-55.3119.6164.3-179.5-179.1139.100111W130 N134W130-E132 PolarHBondContact O-N 3.45Å; E132-N134 PolarHBondContact OE1-ND2 3.12Å
133K30.4Very low38.3Very low199 Ų199146.4 Ų146.487%0.86580%0.797SS**  trans-110.589.9168-160.7163.8-173.2170.90110.3E131E131-K133 PolarHBondContact O-N 3.4Å
134N30.8Very low38.5Very low117 Ų117148.9 Ų148.963%0.62680%0.8SS**  trans-59.5142.3172.6-80.3-53000111.9E132E132-N134 PolarHBondContact OE1-ND2 3.12Å
135S38.3Very low37.9Very low114 Ų114148.2 Ų148.280%0.79780%0.798SS**  trans-143.9120.4152.9-72.60000107.4
136Q33.2Very low37.8Very low188 Ų188147.3 Ų147.388%0.87980%0.795SS**  trans-66.6150.5-173.7-57.9149.6-77.500109.3
137S32.3Very low37.8Very low109 Ų109150 Ų15076%0.76280%0.799SS**  175.8-173.653.353.70000109
138P46.3Very low36.9Very low117 Ų117146.9 Ų146.976%0.7679%0.79SS**  -115177-61.936.8-23.9000112.3
139H39.9Very low36.5Very low182 Ų182149.2 Ų149.284%0.84380%0.796SS**  trans-69.7163.6179.9-45.1-78.5000113.5
140P43Very low36.4Very low128 Ų128147.4 Ų147.483%0.83180%0.795SS**  -135.5152.480.935.9-22.4000116
141R39.8Very low36.5Very low216 Ų216141.8 Ų141.882%0.81579%0.791SS**  trans-67.5124.9173162.6-177.1-76.7164.2-4.6111.2
142M37.8Very low37Very low178 Ų178139.4 Ų139.488%0.87779%0.79SS**  trans-135126.2149.1-74.2-62.1174.200109.1
143K40.8Very low37.4Very low191 Ų191137 Ų13783%0.8379%0.79SS**  trans-93.3140.2163.2-75.8175.8173.3179.10107.5
144P38.4Very low38.5Very low123 Ų123131.4 Ų131.480%0.79977%0.774SS**  trans-110.9140.3135.331.5-27.6000110.4
145S35Very low38.9Very low112 Ų112128.8 Ų128.878%0.78376%0.763SS**  trans-67.8165.8167.941.30000112.3
146S42.7Very low39.4Very low112 Ų112127.6 Ų127.678%0.78376%0.755SS**  trans-36.2152.5-178.8-40.30000117.4
147P35.7Very low39.8Very low133 Ų133123.9 Ų123.986%0.86474%0.737SS**  -111.3142.4106.333.1-32.4000109.2
148G30.3Very low40.2Very low59 Ų59125.1 Ų125.161%0.60873%0.729SS**  cis116.311033.400000105.7S150G148-S150 PolarHBondContact O-N 3.4Å; G148-S150 VanDerWaalsContact O-N 3.16Å
149D39.2Very low40.5Very low163 Ų163122.8 Ų122.887%0.87271%0.71SS**  trans-57.2120.1-169.7-65-77.6000112
150S33.4Very low41.2Very low110 Ų110119.8 Ų119.877%0.76970%0.696SS**  trans-149.775.8164.4-77.60000107.9G148 P152G148-S150 PolarHBondContact O-N 3.4Å; G148-S150 VanDerWaalsContact O-N 3.16Å; S150-P152 WeakPolarHBondContact O-CD 3.3Å; S150-P152 VanDerWaalsContact O-N 3.12Å
151S38.8Very low41.4Very low109 Ų109119.2 Ų119.276%0.76269%0.685SS**  trans-49.9114159.9-61.10000108.5S153S151-S153 VanDerWaalsContact C-N 3.34Å; S151-S153 PolarHBondContact O-N 3.15Å
152P41.7Very low42.3Very low120 Ų120115.2 Ų115.278%0.77968%0.676SS**  trans-67.1106157.329.7-29000105.1S150S150-P152 WeakPolarHBondContact O-CD 3.3Å; S150-P152 VanDerWaalsContact O-N 3.12Å
153S38.7Very low43.3Very low97 Ų97107.6 Ų107.668%0.67864%0.639SS**PPolyproline II helixtrans-54.1129.9162.449.40000106.7S151 P155S151-S153 VanDerWaalsContact C-N 3.34Å; S151-S153 PolarHBondContact O-N 3.15Å; S153-P155 VanDerWaalsContact O-N 3.17Å
154P51.5Low44.2Very low82 Ų82102.6 Ų102.653%0.53262%0.621SS.*PPolyproline II helixtrans-58.4127.8176.724.3-32.7000107S156 L159P154-S156 PolarHBondContact O-N 3.18Å; P154-L159 HydrophobicContact CB-CD1 4.28Å; P154-L159 HydrophobicContact CB-CG 4.44Å; P154-L159 HydrophobicContact CG-CD1 3.96Å
155P40.3Very low45.6Very low61 Ų61103.8 Ų103.840%0.39661%0.614SS.*PPolyproline II helixtrans-59.9119.4-174.120.5-30.8000108.9S153 H157 K158 L159S153-P155 VanDerWaalsContact O-N 3.17Å; P155-H157 PolarHBondContact O-N 3Å; P155-K158 HydrophobicContact CG-CB 4.24Å; P155-K158 HydrophobicContact CG-CD 4.33Å; P155-K158 HydrophobicContact CG-CG 4.31Å; P155-K158 PolarHBondContact O-N 3.33Å; P155-L159 PolarHBondContact O-N 2.95Å
156S48.4Very low47.5Very low89 Ų8999.5 Ų99.562%0.62258%0.582SS**Hα-helixtrans-55.2-27.1-171.1-56.60000113P154 L159 E160P154-S156 PolarHBondContact O-N 3.18Å; S156-L159 CarbonylContact O-C 3.58Å; S156-L159 WeakPolarHBondContact O-CB 3.4Å; S156-L159 PolarHBondContact O-N 3.37Å; S156-E160 WeakPolarHBondContact O-CG 3.44Å; S156-E160 PolarHBondContact O-N 3.26Å
157H41.3Very low49.1Very low111 Ų11198 Ų9851%0.51456%0.563SS.*Hα-helixtrans-68.6-31.217574.7-105.6000114.1P155 E160 L161P155-H157 PolarHBondContact O-N 3Å; H157-E160 PolarHBondContact O-N 3.17Å; H157-L161 WeakPolarHBondContact O-CG 3.48Å; H157-L161 PolarHBondContact O-N 2.86Å
158K42.3Very low51.5Low135 Ų13598.8 Ų98.859%0.58756%0.555SS**Hα-helixtrans-74.4-33172.4-85.8-166.4175.5-178.30110.9P155 Q162P155-K158 HydrophobicContact CG-CB 4.24Å; P155-K158 HydrophobicContact CG-CD 4.33Å; P155-K158 HydrophobicContact CG-CG 4.31Å; P155-K158 PolarHBondContact O-N 3.33Å; K158-Q162 WeakPolarHBondContact O-CB 3.2Å; K158-Q162 WeakPolarHBondContact O-CG 3.41Å; K158-Q162 PolarHBondContact O-N 3.47Å
159L52.6Low54.1Low68 Ų6897.7 Ų97.736%0.35654%0.535SS..Hα-helixtrans-64-48167.6-66.7-179.2000109.4P154 P155 S156 L161 Q162 T163P154-L159 HydrophobicContact CB-CD1 4.28Å; P154-L159 HydrophobicContact CB-CG 4.44Å; P154-L159 HydrophobicContact CG-CD1 3.96Å; P155-L159 PolarHBondContact O-N 2.95Å; S156-L159 CarbonylContact O-C 3.58Å; S156-L159 WeakPolarHBondContact O-CB 3.4Å; S156-L159 PolarHBondContact O-N 3.37Å; L159-L161 PolarHBondContact O-N 3.33Å; L159-Q162 CarbonylContact O-C 3.59Å; L159-Q162 VanDerWaalsContact O-C 3.3Å; L159-Q162 WeakPolarHBondContact O-CA 3.43Å; L159-Q162 WeakPolarHBondContact O-CB 3.29Å; L159-Q162 PolarHBondContact O-N 2.98Å; L159-T163 WeakPolarHBondContact O-CG2 3.23Å; L159-T163 PolarHBondContact O-N 3.26Å
160E52.9Low56.6Low118 Ų11893.9 Ų93.955%0.55152%0.517SS*.Hα-helixtrans-57.4-45.9176.2-77178.1141.200113.7S156 H157 Q162 T163 L164S156-E160 WeakPolarHBondContact O-CG 3.44Å; S156-E160 PolarHBondContact O-N 3.26Å; H157-E160 PolarHBondContact O-N 3.17Å; E160-Q162 VanDerWaalsContact C-N 3.26Å; E160-Q162 PolarHBondContact O-N 2.95Å; E160-T163 WeakPolarHBondContact CA-OG1 3.27Å; E160-T163 CarbonylContact O-C 3.46Å; E160-T163 WeakPolarHBondContact O-CA 3.48Å; E160-T163 PolarHBondContact O-N 3.25Å; E160-T163 PolarHBondContact O-OG1 3.49Å; E160-L164 WeakPolarHBondContact O-CB 3.32Å; E160-L164 VanDerWaalsContact O-CG 3.26Å; E160-L164 WeakPolarHBondContact O-CG 3.42Å; E160-L164 PolarHBondContact O-N 2.98Å
161L48Very low59.4Low117 Ų11791.1 Ų91.161%0.61350%0.496SS*.Hα-helixtrans-65.8-31.2174.8-67.5174.6000112.3H157 L159 L164 K165H157-L161 WeakPolarHBondContact O-CG 3.48Å; H157-L161 PolarHBondContact O-N 2.86Å; L159-L161 PolarHBondContact O-N 3.33Å; L161-L164 HydrophobicContact CD2-CD1 4.49Å; L161-K165 VanDerWaalsContact O-CB 3.23Å; L161-K165 WeakPolarHBondContact O-CB 3.33Å; L161-K165 PolarHBondContact O-N 3.48Å; L161-K165 VanDerWaalsContact O-N 3.12Å
162Q58.3Low62Low132 Ų13289.7 Ų89.762%0.61749%0.486SS*.Hα-helixtrans-74.4-28.4167.5-73.1-178.8-11.300112.7K158 L159 E160 L166K158-Q162 WeakPolarHBondContact O-CB 3.2Å; K158-Q162 WeakPolarHBondContact O-CG 3.41Å; K158-Q162 PolarHBondContact O-N 3.47Å; L159-Q162 CarbonylContact O-C 3.59Å; L159-Q162 VanDerWaalsContact O-C 3.3Å; L159-Q162 WeakPolarHBondContact O-CA 3.43Å; L159-Q162 WeakPolarHBondContact O-CB 3.29Å; L159-Q162 PolarHBondContact O-N 2.98Å; E160-Q162 VanDerWaalsContact C-N 3.26Å; E160-Q162 PolarHBondContact O-N 2.95Å; Q162-L166 WeakPolarHBondContact O-CB 3.46Å; Q162-L166 PolarHBondContact O-N 3.46Å
163T59Low64.5Low17 Ų1787.6 Ų87.610%0.10447%0.466CS..Hα-helixtrans-72.1-49.417877.90000109.4L159 E160 L166 E167 R197L159-T163 WeakPolarHBondContact O-CG2 3.23Å; L159-T163 PolarHBondContact O-N 3.26Å; E160-T163 WeakPolarHBondContact CA-OG1 3.27Å; E160-T163 CarbonylContact O-C 3.46Å; E160-T163 WeakPolarHBondContact O-CA 3.48Å; E160-T163 PolarHBondContact O-N 3.25Å; E160-T163 PolarHBondContact O-OG1 3.49Å; T163-L166 CarbonylContact O-C 3.3Å; T163-L166 PolarHBondContact O-N 3.3Å; T163-L166 VanDerWaalsContact O-N 3.13Å; T163-E167 VanDerWaalsContact CB-OE1 3.24Å; T163-E167 WeakPolarHBondContact CB-OE1 3.45Å; T163-E167 WeakPolarHBondContact O-CA 3.19Å; T163-E167 WeakPolarHBondContact O-CB 3.45Å; T163-E167 VanDerWaalsContact O-CD 3.28Å; T163-E167 WeakPolarHBondContact O-CG 3.38Å; T163-E167 PolarHBondContact O-N 2.89Å; T163-E167 PolarHBondContact OG1-OE1 2.96Å; T163-R197 VanDerWaalsContact CG2-CZ 3.45Å
164L59.1Low67.2Low87 Ų8783 Ų8346%0.45543%0.433SS..Hα-helixtrans-57.7-51.4176-66.4169.3000109.5E160 L161 L166 E167 E168E160-L164 WeakPolarHBondContact O-CB 3.32Å; E160-L164 VanDerWaalsContact O-CG 3.26Å; E160-L164 WeakPolarHBondContact O-CG 3.42Å; E160-L164 PolarHBondContact O-N 2.98Å; L161-L164 HydrophobicContact CD2-CD1 4.49Å; L164-L166 VanDerWaalsContact C-N 3.3Å; L164-L166 PolarHBondContact O-N 3.08Å; L164-E167 PolarHBondContact O-N 3.4Å; L164-E168 WeakPolarHBondContact O-CB 3.25Å; L164-E168 VanDerWaalsContact O-CG 3.29Å; L164-E168 WeakPolarHBondContact O-CG 3.37Å; L164-E168 PolarHBondContact O-N 3.11Å
165K68.4Low69.2Low148 Ų14883.8 Ų83.864%0.64343%0.426SS*.Hα-helixtrans-58.1-40.4175.6-169.8166.6-171.7166.50112.6L161 L169L161-K165 VanDerWaalsContact O-CB 3.23Å; L161-K165 WeakPolarHBondContact O-CB 3.33Å; L161-K165 PolarHBondContact O-N 3.48Å; L161-K165 VanDerWaalsContact O-N 3.12Å; K165-L169 WeakPolarHBondContact O-CD2 3.44Å; K165-L169 WeakPolarHBondContact O-CG 3.41Å; K165-L169 PolarHBondContact O-N 3.03Å
166L74.3Confident71.8Confident22 Ų2284.9 Ų84.912%0.11543%0.426CS..Hα-helixtrans-73-35.6179-168.880.3000112.6Q162 T163 L164 E168 L169 L174 L193 M196Q162-L166 WeakPolarHBondContact O-CB 3.46Å; Q162-L166 PolarHBondContact O-N 3.46Å; T163-L166 CarbonylContact O-C 3.3Å; T163-L166 PolarHBondContact O-N 3.3Å; T163-L166 VanDerWaalsContact O-N 3.13Å; L164-L166 VanDerWaalsContact C-N 3.3Å; L164-L166 PolarHBondContact O-N 3.08Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-L169 HydrophobicContact CD1-CD1 4.11Å; L166-L169 WeakPolarHBondContact O-CB 3.33Å; L166-L169 PolarHBondContact O-N 3.21Å; L166-L174 HydrophobicContact CD1-CD2 3.52Å; L166-L174 HydrophobicContact CG-CD2 3.78Å; L166-L193 HydrophobicContact CB-CD2 4.26Å; L166-L193 HydrophobicContact CD2-CB 4.17Å; L166-L193 HydrophobicContact CD2-CD2 3.84Å; L166-L193 HydrophobicContact CG-CD2 3.57Å; L166-L193 WeakPolarHBondContact O-CD2 3.22Å; L166-M196 HydrophobicContact CD1-CB 3.8Å; L166-M196 HydrophobicContact CD1-CE 4.04Å; L166-M196 HydrophobicContact CD1-CG 4.31Å; L166-M196 HydrophobicContact CD1-SD 3.7Å; L166-M196 HydrophobicContact CD2-CB 3.86Å; L166-M196 HydrophobicContact CG-CB 4.39Å
167E77.8Confident74Confident80 Ų8082.9 Ų82.937%0.37441%0.407SS..Hα-helixtrans-73.1-27.9177.6-76.6158.4-152.800111.6T163 L164 K189 L193 R197T163-E167 VanDerWaalsContact CB-OE1 3.24Å; T163-E167 WeakPolarHBondContact CB-OE1 3.45Å; T163-E167 WeakPolarHBondContact O-CA 3.19Å; T163-E167 WeakPolarHBondContact O-CB 3.45Å; T163-E167 VanDerWaalsContact O-CD 3.28Å; T163-E167 WeakPolarHBondContact O-CG 3.38Å; T163-E167 PolarHBondContact O-N 2.89Å; T163-E167 PolarHBondContact OG1-OE1 2.96Å; L164-E167 PolarHBondContact O-N 3.4Å; E167-K189 VanDerWaalsContact O-CE 3.29Å; E167-K189 WeakPolarHBondContact O-CE 3.42Å; E167-K189 PolarHBondContact O-NZ 2.73Å; E167-L193 HydrophobicContact CG-CD1 3.74Å; E167-L193 HydrophobicContact CG-CD2 4.44Å; E167-R197 IonicContact OE1-NH2 3.54Å
168E86.3Confident76.5Confident150 Ų15077.6 Ų77.670%0.70138%0.382SS*.Hα-helixtrans-73.5-31.5168.5-74165.8-172.100112.2L164 L166 T170L164-E168 WeakPolarHBondContact O-CB 3.25Å; L164-E168 VanDerWaalsContact O-CG 3.29Å; L164-E168 WeakPolarHBondContact O-CG 3.37Å; L164-E168 PolarHBondContact O-N 3.11Å; L166-E168 VanDerWaalsContact C-N 3.35Å; E168-T170 PolarHBondContact O-N 3.18Å
169L83.2Confident79Confident36 Ų3678.4 Ų78.419%0.18838%0.381CS..SBendtrans-57.6139.8179.3-57.1-173.5000112.2K165 L166 E173 L174 Q177 K189K165-L169 WeakPolarHBondContact O-CD2 3.44Å; K165-L169 WeakPolarHBondContact O-CG 3.41Å; K165-L169 PolarHBondContact O-N 3.03Å; L166-L169 HydrophobicContact CD1-CD1 4.11Å; L166-L169 WeakPolarHBondContact O-CB 3.33Å; L166-L169 PolarHBondContact O-N 3.21Å; L169-E173 HydrophobicContact CB-CB 4.2Å; L169-E173 HydrophobicContact CB-CG 4.16Å; L169-E173 HydrophobicContact CD1-CG 3.91Å; L169-E173 HydrophobicContact CD2-CG 4.1Å; L169-E173 HydrophobicContact CG-CG 4.24Å; L169-L174 HydrophobicContact CB-CD2 4.03Å; L169-L174 HydrophobicContact CB-CG 4Å; L169-L174 HydrophobicContact CD1-CD2 4.11Å; L169-Q177 VanDerWaalsContact CD1-OE1 3.25Å; L169-K189 WeakPolarHBondContact O-CE 3.48Å; L169-K189 PolarHBondContact O-NZ 2.96Å
170T91.8Very high81Confident82 Ų8281.6 Ų81.650%0.50340%0.398SS..  trans-68.1158.3174.756.50000111.1E168 S172 E173 L174E168-T170 PolarHBondContact O-N 3.18Å; T170-S172 PolarHBondContact O-N 3.49Å; T170-S172 PolarHBondContact OG1-OG 3.04Å; T170-E173 PolarHBondContact O-N 3.26Å; T170-E173 PolarHBondContact OG1-N 2.91Å; T170-L174 WeakPolarHBondContact O-CG 3.29Å; T170-L174 PolarHBondContact O-N 2.73Å
171V93.7Very high82.9Confident52 Ų5283 Ų8332%0.31540%0.399SS..Hα-helixtrans-59.7-31.7178.9178.80000111.7R175 K189 L192V171-R175 WeakPolarHBondContact O-CB 3.11Å; V171-R175 VanDerWaalsContact O-CG 3.22Å; V171-R175 WeakPolarHBondContact O-CG 3.13Å; V171-R175 PolarHBondContact O-N 2.64Å; V171-R175 VanDerWaalsContact O-N 3.08Å; V171-K189 HydrophobicContact CG2-CB 3.87Å; V171-K189 HydrophobicContact CG2-CD 4.11Å; V171-K189 HydrophobicContact CG2-CG 4Å; V171-L192 HydrophobicContact CG1-CD1 3.91Å
172S93.3Very high85Confident80 Ų8080.9 Ų80.956%0.55941%0.405SS*.Hα-helixtrans-62.7-47.3171.932.20000112.5T170 R175 Q176T170-S172 PolarHBondContact O-N 3.49Å; T170-S172 PolarHBondContact OG1-OG 3.04Å; S172-R175 WeakPolarHBondContact O-CB 3.23Å; S172-R175 PolarHBondContact O-N 3.06Å; S172-Q176 PolarHBondContact O-N 3.45Å
173E94.3Very high86.7Confident76 Ų7677.9 Ų77.936%0.35539%0.392SS..Hα-helixtrans-67.5-43.3-179.1-177.157-148.500111.5L169 T170 R175 Q176 Q177L169-E173 HydrophobicContact CB-CB 4.2Å; L169-E173 HydrophobicContact CB-CG 4.16Å; L169-E173 HydrophobicContact CD1-CG 3.91Å; L169-E173 HydrophobicContact CD2-CG 4.1Å; L169-E173 HydrophobicContact CG-CG 4.24Å; T170-E173 PolarHBondContact O-N 3.26Å; T170-E173 PolarHBondContact OG1-N 2.91Å; E173-R175 VanDerWaalsContact C-N 3.26Å; E173-R175 PolarHBondContact O-N 3.28Å; E173-Q176 WeakPolarHBondContact O-CB 3.48Å; E173-Q176 PolarHBondContact O-N 3.26Å; E173-Q177 WeakPolarHBondContact O-CG 3.41Å; E173-Q177 PolarHBondContact O-N 3.29Å; E173-Q177 WeakPolarHBondContact OE1-CG 3.38Å; E173-Q177 PolarHBondContact OE1-NE2 3.01Å
174L94Very high88.3Confident0 Ų080.4 Ų80.40%041%0.409CS..Hα-helixtrans-58.4-38.7172.3-66.6170.1000112.2L166 L169 T170 L178 K189 L192 L193 M196L166-L174 HydrophobicContact CD1-CD2 3.52Å; L166-L174 HydrophobicContact CG-CD2 3.78Å; L169-L174 HydrophobicContact CB-CD2 4.03Å; L169-L174 HydrophobicContact CB-CG 4Å; L169-L174 HydrophobicContact CD1-CD2 4.11Å; T170-L174 WeakPolarHBondContact O-CG 3.29Å; T170-L174 PolarHBondContact O-N 2.73Å; L174-L178 WeakPolarHBondContact O-CB 3.49Å; L174-L178 WeakPolarHBondContact O-CD1 3.02Å; L174-L178 VanDerWaalsContact O-CG 3.23Å; L174-L178 WeakPolarHBondContact O-CG 3.42Å; L174-L178 PolarHBondContact O-N 2.86Å; L174-K189 HydrophobicContact CD1-CD 4.41Å; L174-K189 HydrophobicContact CD1-CG 3.71Å; L174-L192 HydrophobicContact CB-CB 4.02Å; L174-L192 HydrophobicContact CB-CD1 4.08Å; L174-L192 HydrophobicContact CD1-CB 4.35Å; L174-L193 HydrophobicContact CD1-CD2 3.59Å; L174-L193 HydrophobicContact CD1-CG 4.23Å; L174-L193 HydrophobicContact CD2-CD2 3.78Å; L174-L193 HydrophobicContact CG-CD2 4.35Å; L174-M196 HydrophobicContact CD2-CG 4.49Å; L174-M196 HydrophobicContact CD2-SD 3.83Å
175R93.4Very high90Very high98 Ų9878.4 Ų78.437%0.3740%0.4SS..Hα-helixtrans-67.6-38.9173.7-74.9175.3177172.34.9111.9V171 S172 E173 L178 R179 V185 L192V171-R175 WeakPolarHBondContact O-CB 3.11Å; V171-R175 VanDerWaalsContact O-CG 3.22Å; V171-R175 WeakPolarHBondContact O-CG 3.13Å; V171-R175 PolarHBondContact O-N 2.64Å; V171-R175 VanDerWaalsContact O-N 3.08Å; S172-R175 WeakPolarHBondContact O-CB 3.23Å; S172-R175 PolarHBondContact O-N 3.06Å; E173-R175 VanDerWaalsContact C-N 3.26Å; E173-R175 PolarHBondContact O-N 3.28Å; R175-L178 PolarHBondContact O-N 2.91Å; R175-R179 WeakPolarHBondContact O-CG 3.36Å; R175-R179 PolarHBondContact O-N 2.68Å; R175-V185 HydrophobicContact CB-CB 4.32Å; R175-V185 HydrophobicContact CB-CG1 3.91Å; R175-V185 HydrophobicContact CG-CB 4.04Å; R175-V185 HydrophobicContact CG-CG1 4.07Å; R175-V185 PolarHBondContact NE-O 3.13Å; R175-V185 WeakPolarHBondContact O-CG1 2.98Å; R175-L192 HydrophobicContact CG-CD1 3.76Å
176Q96.1Very high91.1Very high84 Ų8475.4 Ų75.439%0.39340%0.398SS..Hα-helixtrans-63.7-46.9178.1-171.163200111.3S172 E173 L178 R179 L180S172-Q176 PolarHBondContact O-N 3.45Å; E173-Q176 WeakPolarHBondContact O-CB 3.48Å; E173-Q176 PolarHBondContact O-N 3.26Å; Q176-L178 PolarHBondContact O-N 3.18Å; Q176-R179 WeakPolarHBondContact O-CB 3.37Å; Q176-R179 PolarHBondContact O-N 2.62Å; Q176-L180 WeakPolarHBondContact O-CG 3.26Å; Q176-L180 PolarHBondContact O-N 2.79Å
177Q94.1Very high91.9Very high48 Ų4876.3 Ų76.322%0.22441%0.413CS..Hα-helixtrans-65.8-36.4178.1-65.9176.9-1.600112.7L169 E173 L180 R181 M196L169-Q177 VanDerWaalsContact CD1-OE1 3.25Å; E173-Q177 WeakPolarHBondContact O-CG 3.41Å; E173-Q177 PolarHBondContact O-N 3.29Å; E173-Q177 WeakPolarHBondContact OE1-CG 3.38Å; E173-Q177 PolarHBondContact OE1-NE2 3.01Å; Q177-L180 PolarHBondContact O-N 2.97Å; Q177-R181 WeakPolarHBondContact O-CG 3.33Å; Q177-R181 PolarHBondContact O-N 3.34Å; Q177-R181 VanDerWaalsContact O-N 3.11Å; Q177-M196 HydrophobicContact CB-CE 3.5Å; Q177-M196 VanDerWaalsContact CB-CE 3.5Å; Q177-M196 HydrophobicContact CB-SD 3.5Å; Q177-M196 VanDerWaalsContact CB-SD 3.5Å; Q177-M196 HydrophobicContact CG-CE 4.34Å; Q177-M196 HydrophobicContact CG-SD 4.44Å; Q177-M196 PolarHBondContact OE1-SD 3.36Å
178L94.1Very high92.7Very high0 Ų077 Ų770%042%0.422CS..Hα-helixtrans-67.3-39.2173.1-74.2167.9000112.6L174 R175 Q176 R181 G182 L183 V185 L192 R195 M196L174-L178 WeakPolarHBondContact O-CB 3.49Å; L174-L178 WeakPolarHBondContact O-CD1 3.02Å; L174-L178 VanDerWaalsContact O-CG 3.23Å; L174-L178 WeakPolarHBondContact O-CG 3.42Å; L174-L178 PolarHBondContact O-N 2.86Å; R175-L178 PolarHBondContact O-N 2.91Å; Q176-L178 PolarHBondContact O-N 3.18Å; L178-R181 CarbonylContact O-C 3.54Å; L178-R181 PolarHBondContact O-N 3.06Å; L178-G182 PolarHBondContact O-N 3.48Å; L178-G182 VanDerWaalsContact O-N 3.11Å; L178-L183 HydrophobicContact CB-CB 4.26Å; L178-L183 HydrophobicContact CD2-CB 3.55Å; L178-L183 HydrophobicContact CD2-CD1 3.68Å; L178-L183 HydrophobicContact CD2-CG 4.27Å; L178-L183 PolarHBondContact O-N 3.4Å; L178-V185 HydrophobicContact CB-CG1 3.62Å; L178-V185 HydrophobicContact CD1-CG1 4.46Å; L178-L192 HydrophobicContact CD1-CB 3.71Å; L178-L192 HydrophobicContact CD1-CD2 3.56Å; L178-L192 HydrophobicContact CD1-CG 4.14Å; L178-R195 HydrophobicContact CD2-CB 3.76Å; L178-M196 HydrophobicContact CD1-CG 4.22Å; L178-M196 HydrophobicContact CD2-CG 3.57Å; L178-M196 HydrophobicContact CG-CG 3.64Å; L178-M196 HydrophobicContact CG-SD 4.28Å
179R94.8Very high93.1Very high151 Ų15173.3 Ų73.357%0.5740%0.404SS*.Hα-helixtrans-59-47.8172.6-73.5165.4-177.7160.8-5.2111.7R175 Q176 R181 G182 V185R175-R179 WeakPolarHBondContact O-CG 3.36Å; R175-R179 PolarHBondContact O-N 2.68Å; Q176-R179 WeakPolarHBondContact O-CB 3.37Å; Q176-R179 PolarHBondContact O-N 2.62Å; R179-R181 PolarHBondContact O-N 2.96Å; R179-G182 PolarHBondContact O-N 3.12Å; R179-V185 HydrophobicContact CG-CG1 4Å
180L94.9Very high93.4Very high136 Ų13674.6 Ų74.671%0.71242%0.42SS*.Hα-helixtrans-61.9-27.7177.9-67.6172.4000112.4Q176 Q177Q176-L180 WeakPolarHBondContact O-CG 3.26Å; Q176-L180 PolarHBondContact O-N 2.79Å; Q177-L180 PolarHBondContact O-N 2.97Å
181R92.3Very high93.5Very high148 Ų14872.4 Ų72.456%0.55841%0.407SS*.THydrogen-bonded Turntrans-89.73.1174.1-67.6178.7-177.6-174.54114.2Q177 L178 R179 L183 M196Q177-R181 WeakPolarHBondContact O-CG 3.33Å; Q177-R181 PolarHBondContact O-N 3.34Å; Q177-R181 VanDerWaalsContact O-N 3.11Å; L178-R181 CarbonylContact O-C 3.54Å; L178-R181 PolarHBondContact O-N 3.06Å; R179-R181 PolarHBondContact O-N 2.96Å; R181-L183 HydrophobicContact CB-CD1 4.01Å; R181-L183 HydrophobicContact CB-CG 4.1Å; R181-L183 PolarHBondContact O-N 3.06Å; R181-M196 VanDerWaalsContact NH1-CE 3.33Å; R181-M196 PolarHBondContact NH1-O 2.9Å
182G92.5Very high93.5Very high72 Ų7270 Ų7074%0.74239%0.392SS*.THydrogen-bonded Turntrans6617.9-176.600000114.7L178 R179L178-G182 PolarHBondContact O-N 3.48Å; L178-G182 VanDerWaalsContact O-N 3.11Å; R179-G182 PolarHBondContact O-N 3.12Å
183L93.5Very high93.5Very high68 Ų6867.2 Ų67.236%0.35637%0.371SS..  trans-96.1151.1-175.8-68.3174.9000111.8L178 R181L178-L183 HydrophobicContact CB-CB 4.26Å; L178-L183 HydrophobicContact CD2-CB 3.55Å; L178-L183 HydrophobicContact CD2-CD1 3.68Å; L178-L183 HydrophobicContact CD2-CG 4.27Å; L178-L183 PolarHBondContact O-N 3.4Å; R181-L183 HydrophobicContact CB-CD1 4.01Å; R181-L183 HydrophobicContact CB-CG 4.1Å; R181-L183 PolarHBondContact O-N 3.06Å
184P91.8Very high93.3Very high71 Ų7167.7 Ų67.746%0.46137%0.373SS..  trans-64.3139.4-178.525-33.3000112.1R195P184-R195 PolarHBondContact O-NH1 3.39Å
185V94.9Very high93.1Very high44 Ų4469.6 Ų69.627%0.26738%0.38SS..  trans-107.52.5-173.8-83.70000115.4R175 L178 R179R175-V185 HydrophobicContact CB-CB 4.32Å; R175-V185 HydrophobicContact CB-CG1 3.91Å; R175-V185 HydrophobicContact CG-CB 4.04Å; R175-V185 HydrophobicContact CG-CG1 4.07Å; R175-V185 PolarHBondContact NE-O 3.13Å; R175-V185 WeakPolarHBondContact O-CG1 2.98Å; L178-V185 HydrophobicContact CB-CG1 3.62Å; L178-V185 HydrophobicContact CD1-CG1 4.46Å; R179-V185 HydrophobicContact CG-CG1 4Å
186S91.6Very high92.9Very high85 Ų8565.6 Ų65.659%0.59437%0.366SS*.  trans-79.4139.8176.245.50000112.1R195S186-R195 VanDerWaalsContact O-CZ 3.26Å; S186-R195 PolarHBondContact O-NH1 3.11Å; S186-R195 PolarHBondContact O-NH2 3.27Å
187G91.8Very high92.6Very high41 Ų4167.4 Ų67.442%0.42337%0.369SS..SBendtrans124.4-175.5175.900000114.9T191G187-T191 WeakPolarHBondContact CA-OG1 3.26Å
188T94.5Very high91.7Very high94 Ų9468 Ų6858%0.57739%0.388SS*.  trans-82161.2178.959.90000111.5A190 T191 L192T188-A190 VanDerWaalsContact C-N 3.27Å; T188-A190 PolarHBondContact O-N 3.36Å; T188-A190 VanDerWaalsContact O-N 3.15Å; T188-T191 PolarHBondContact N-OG1 3.15Å; T188-T191 VanDerWaalsContact N-OG1 3.09Å; T188-T191 PolarHBondContact O-N 3.39Å; T188-T191 PolarHBondContact O-OG1 2.89Å; T188-L192 PolarHBondContact O-N 3.47Å
189K94.2Very high90Very high74 Ų7469.1 Ų69.132%0.32240%0.399SS..Hα-helixtrans-45.8-50.4-179-171172.2177.6171.30112E167 L169 V171 L174 T191 L192 L193E167-K189 VanDerWaalsContact O-CE 3.29Å; E167-K189 WeakPolarHBondContact O-CE 3.42Å; E167-K189 PolarHBondContact O-NZ 2.73Å; L169-K189 WeakPolarHBondContact O-CE 3.48Å; L169-K189 PolarHBondContact O-NZ 2.96Å; V171-K189 HydrophobicContact CG2-CB 3.87Å; V171-K189 HydrophobicContact CG2-CD 4.11Å; V171-K189 HydrophobicContact CG2-CG 4Å; L174-K189 HydrophobicContact CD1-CD 4.41Å; L174-K189 HydrophobicContact CD1-CG 3.71Å; K189-T191 PolarHBondContact O-N 2.74Å; K189-L192 WeakPolarHBondContact O-CA 3.5Å; K189-L192 WeakPolarHBondContact O-CB 3.44Å; K189-L192 PolarHBondContact O-N 2.95Å; K189-L193 HydrophobicContact CG-CG 4.44Å; K189-L193 WeakPolarHBondContact O-CG 3.41Å; K189-L193 PolarHBondContact O-N 2.93Å
190A91.1Very high87.8Confident62 Ų6268 Ų6851%0.51241%0.409SS..Hα-helixtrans-55.7-44.1178.500000113.9T188 L192 L193 E194T188-A190 VanDerWaalsContact C-N 3.27Å; T188-A190 PolarHBondContact O-N 3.36Å; T188-A190 VanDerWaalsContact O-N 3.15Å; A190-L192 PolarHBondContact O-N 3.45Å; A190-L193 WeakPolarHBondContact O-CB 3.45Å; A190-L193 PolarHBondContact O-N 3.43Å; A190-E194 WeakPolarHBondContact O-CB 3.38Å; A190-E194 PolarHBondContact O-N 3.24Å
191T93Very high85.8Confident37 Ų3764.4 Ų64.423%0.22739%0.394CS..Hα-helixtrans-67.1-23.9177.363.70000113.2G187 T188 K189 R195G187-T191 WeakPolarHBondContact CA-OG1 3.26Å; T188-T191 PolarHBondContact N-OG1 3.15Å; T188-T191 VanDerWaalsContact N-OG1 3.09Å; T188-T191 PolarHBondContact O-N 3.39Å; T188-T191 PolarHBondContact O-OG1 2.89Å; K189-T191 PolarHBondContact O-N 2.74Å; T191-R195 WeakPolarHBondContact O-CD 3.27Å; T191-R195 VanDerWaalsContact O-CG 3.29Å; T191-R195 WeakPolarHBondContact O-CG 3.43Å; T191-R195 PolarHBondContact O-N 3.28Å; T191-R195 PolarHBondContact O-NE 2.95Å
192L93.7Very high83.5Confident0 Ų062.4 Ų62.40%040%0.4CS..Hα-helixtrans-77.4-43.5172.4-52.4179.3000110.5V171 L174 R175 L178 T188 K189 A190 E194 R195 M196V171-L192 HydrophobicContact CG1-CD1 3.91Å; L174-L192 HydrophobicContact CB-CB 4.02Å; L174-L192 HydrophobicContact CB-CD1 4.08Å; L174-L192 HydrophobicContact CD1-CB 4.35Å; R175-L192 HydrophobicContact CG-CD1 3.76Å; L178-L192 HydrophobicContact CD1-CB 3.71Å; L178-L192 HydrophobicContact CD1-CD2 3.56Å; L178-L192 HydrophobicContact CD1-CG 4.14Å; T188-L192 PolarHBondContact O-N 3.47Å; K189-L192 WeakPolarHBondContact O-CA 3.5Å; K189-L192 WeakPolarHBondContact O-CB 3.44Å; K189-L192 PolarHBondContact O-N 2.95Å; A190-L192 PolarHBondContact O-N 3.45Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 3.48Å; L192-R195 PolarHBondContact O-N 3.36Å; L192-M196 WeakPolarHBondContact O-CB 3.33Å; L192-M196 WeakPolarHBondContact O-CG 3.24Å; L192-M196 PolarHBondContact O-N 3.46Å
193L92.8Very high81.3Confident23 Ų2369.5 Ų69.512%0.1240%0.404CS..Hα-helixtrans-55.7-46173.6-60.2177.6000111.5L166 E167 L174 K189 A190 M196 R197L166-L193 HydrophobicContact CB-CD2 4.26Å; L166-L193 HydrophobicContact CD2-CB 4.17Å; L166-L193 HydrophobicContact CD2-CD2 3.84Å; L166-L193 HydrophobicContact CG-CD2 3.57Å; L166-L193 WeakPolarHBondContact O-CD2 3.22Å; E167-L193 HydrophobicContact CG-CD1 3.74Å; E167-L193 HydrophobicContact CG-CD2 4.44Å; L174-L193 HydrophobicContact CD1-CD2 3.59Å; L174-L193 HydrophobicContact CD1-CG 4.23Å; L174-L193 HydrophobicContact CD2-CD2 3.78Å; L174-L193 HydrophobicContact CG-CD2 4.35Å; K189-L193 HydrophobicContact CG-CG 4.44Å; K189-L193 WeakPolarHBondContact O-CG 3.41Å; K189-L193 PolarHBondContact O-N 2.93Å; A190-L193 WeakPolarHBondContact O-CB 3.45Å; A190-L193 PolarHBondContact O-N 3.43Å; L193-M196 PolarHBondContact O-N 2.86Å; L193-R197 VanDerWaalsContact O-CB 3.27Å; L193-R197 WeakPolarHBondContact O-CB 3.35Å; L193-R197 PolarHBondContact O-N 2.95Å
194E90.8Very high79.1Confident85 Ų8575.6 Ų75.640%0.39743%0.431SS..Hα-helixtrans-59.9-46.9-179.8-174.8176.7-15800112.1A190 L192 R197 G198 G199A190-E194 WeakPolarHBondContact O-CB 3.38Å; A190-E194 PolarHBondContact O-N 3.24Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 3.48Å; E194-R197 WeakPolarHBondContact O-CB 3.11Å; E194-R197 PolarHBondContact O-N 3.42Å; E194-G198 PolarHBondContact O-N 2.97Å; E194-G199 WeakPolarHBondContact O-CA 3.48Å; E194-G199 PolarHBondContact O-N 3.3Å
195R89.9Confident77Confident41 Ų4182.6 Ų82.616%0.15545%0.448CS..Hα-helixtrans-65.7-38.5175.2-66.9170.8-157154.112.4112.3L178 P184 S186 T191 L192 R197 G198L178-R195 HydrophobicContact CD2-CB 3.76Å; P184-R195 PolarHBondContact O-NH1 3.39Å; S186-R195 VanDerWaalsContact O-CZ 3.26Å; S186-R195 PolarHBondContact O-NH1 3.11Å; S186-R195 PolarHBondContact O-NH2 3.27Å; T191-R195 WeakPolarHBondContact O-CD 3.27Å; T191-R195 VanDerWaalsContact O-CG 3.29Å; T191-R195 WeakPolarHBondContact O-CG 3.43Å; T191-R195 PolarHBondContact O-N 3.28Å; T191-R195 PolarHBondContact O-NE 2.95Å; L192-R195 PolarHBondContact O-N 3.36Å; R195-R197 VanDerWaalsContact C-N 3.32Å; R195-G198 PolarHBondContact O-N 3.2Å; R195-G198 VanDerWaalsContact O-N 3.12Å
196M88.9Confident74.3Confident14 Ų1489.3 Ų89.37%0.06948%0.477CS..Hα-helixtrans-69.1-30.1178.9-79.9-135.963.900113.7L166 L174 Q177 L178 R181 L192 L193L166-M196 HydrophobicContact CD1-CB 3.8Å; L166-M196 HydrophobicContact CD1-CE 4.04Å; L166-M196 HydrophobicContact CD1-CG 4.31Å; L166-M196 HydrophobicContact CD1-SD 3.7Å; L166-M196 HydrophobicContact CD2-CB 3.86Å; L166-M196 HydrophobicContact CG-CB 4.39Å; L174-M196 HydrophobicContact CD2-CG 4.49Å; L174-M196 HydrophobicContact CD2-SD 3.83Å; Q177-M196 HydrophobicContact CB-CE 3.5Å; Q177-M196 VanDerWaalsContact CB-CE 3.5Å; Q177-M196 HydrophobicContact CB-SD 3.5Å; Q177-M196 VanDerWaalsContact CB-SD 3.5Å; Q177-M196 HydrophobicContact CG-CE 4.34Å; Q177-M196 HydrophobicContact CG-SD 4.44Å; Q177-M196 PolarHBondContact OE1-SD 3.36Å; L178-M196 HydrophobicContact CD1-CG 4.22Å; L178-M196 HydrophobicContact CD2-CG 3.57Å; L178-M196 HydrophobicContact CG-CG 3.64Å; L178-M196 HydrophobicContact CG-SD 4.28Å; R181-M196 VanDerWaalsContact NH1-CE 3.33Å; R181-M196 PolarHBondContact NH1-O 2.9Å; L192-M196 WeakPolarHBondContact O-CB 3.33Å; L192-M196 WeakPolarHBondContact O-CG 3.24Å; L192-M196 PolarHBondContact O-N 3.46Å; L193-M196 PolarHBondContact O-N 2.86Å
197R88.9Confident71.9Confident122 Ų12294.1 Ų94.146%0.4649%0.487SS..THydrogen-bonded Turntrans-72.3-13.2170.2179.7-173.7-61-82.10.4113.3T163 E167 L193 E194 R195 G199T163-R197 VanDerWaalsContact CG2-CZ 3.45Å; E167-R197 IonicContact OE1-NH2 3.54Å; L193-R197 VanDerWaalsContact O-CB 3.27Å; L193-R197 WeakPolarHBondContact O-CB 3.35Å; L193-R197 PolarHBondContact O-N 2.95Å; E194-R197 WeakPolarHBondContact O-CB 3.11Å; E194-R197 PolarHBondContact O-N 3.42Å; R195-R197 VanDerWaalsContact C-N 3.32Å; R197-G199 VanDerWaalsContact C-N 3.35Å
198G76.4Confident69.5Low60 Ų6097.9 Ų97.962%0.61950%0.504SS*.THydrogen-bonded Turntrans80.214.6-17300000113.9E194 R195 V200E194-G198 PolarHBondContact O-N 2.97Å; R195-G198 PolarHBondContact O-N 3.2Å; R195-G198 VanDerWaalsContact O-N 3.12Å; G198-V200 PolarHBondContact O-N 3.01Å
199G58.2Low66.8Low24 Ų24103.1 Ų103.125%0.24751%0.513CS..  trans-62.9121167.700000109.3E194 R197 P201E194-G199 WeakPolarHBondContact O-CA 3.48Å; E194-G199 PolarHBondContact O-N 3.3Å; R197-G199 VanDerWaalsContact C-N 3.35Å; G199-P201 VanDerWaalsContact O-CD 3.25Å; G199-P201 WeakPolarHBondContact O-CD 2.99Å; G199-P201 VanDerWaalsContact O-N 3.1Å
200V49Very low64.7Low126 Ų126110.3 Ų110.376%0.76454%0.538SS*.  trans-60.7113.8177.8175.10000107.8G198G198-V200 PolarHBondContact O-N 3.01Å
201P52.3Low62.4Low61 Ų61114.9 Ų114.940%0.39655%0.549SS..  trans-62.6135176.726.8-33.2000108G199 R203G199-P201 VanDerWaalsContact O-CD 3.25Å; G199-P201 WeakPolarHBondContact O-CD 2.99Å; G199-P201 VanDerWaalsContact O-N 3.1Å; P201-R203 PolarHBondContact O-N 3.36Å
202P44.3Very low60Low106 Ų106120 Ų12069%0.68858%0.575SS**  trans-54.3122.8174.722.4-32.3000108.2E204P202-E204 PolarHBondContact O-N 2.94Å
203R46.3Very low57.7Low222 Ų222129.6 Ų129.684%0.83862%0.617SS**  trans-6095.9-174-98.5-173.4168.4-126.25.2110.1P201 R205P201-R203 PolarHBondContact O-N 3.36Å; R203-R205 PolarHBondContact O-N 2.99Å
204E47.4Very low55.5Low195 Ų195138.1 Ų138.191%0.91166%0.656SS**SBendtrans-72.739.9173.4-156.8-167.5145.500112.2P202P202-E204 PolarHBondContact O-N 2.94Å
205R46.5Very low53.1Low218 Ų218138.5 Ų138.582%0.82367%0.674SS**  trans-152.371.1167-74.4-156.1170.6-170.2-1.9110.5R203R203-R205 PolarHBondContact O-N 2.99Å
206Q39.1Very low50.7Low185 Ų185141.4 Ų141.486%0.86471%0.706SS**  trans-94.795.2141.1-78.7-168.9-15.300107.9P208Q206-P208 WeakPolarHBondContact O-CD 3.49Å
207K41.3Very low48.4Very low187 Ų187144.9 Ų144.981%0.81374%0.737SS**  trans-67.8119.5164.3-161.3103.7173.8-177.20105.5R209K207-R209 VanDerWaalsContact C-N 3.33Å; K207-R209 PolarHBondContact O-N 3.39Å
208P40.9Very low46.4Very low119 Ų119144.9 Ų144.977%0.77375%0.753SS**  trans-64.9101.8168.626.1-31.3000107Q206 R210Q206-P208 WeakPolarHBondContact O-CD 3.49Å; P208-R210 PolarHBondContact O-N 2.89Å
209R38.6Very low44.7Very low204 Ų204153.1 Ų153.177%0.7777%0.766SS**  trans-60.9119.2167.4-177.5-176.9-175.4-166.41.7105.4K207 E211K207-R209 VanDerWaalsContact C-N 3.33Å; K207-R209 PolarHBondContact O-N 3.39Å; R209-E211 PolarHBondContact O-N 3.24Å
210R49.6Very low44.2Very low225 Ų225157.4 Ų157.485%0.84979%0.789SS**  trans-57116170.8-73.8-176.9172.5112.2-4.2107.3P208P208-R210 PolarHBondContact O-N 2.89Å
211E42.7Very low44.2Very low159 Ų159161.5 Ų161.574%0.74379%0.791SS**  trans-118.882.9171.9-163.8135-133.300105.6R209 K213R209-E211 PolarHBondContact O-N 3.24Å; E211-K213 PolarHBondContact O-N 3.46Å; E211-K213 VanDerWaalsContact O-N 3.11Å
212D43.1Very low43.9Very low145 Ų145166.8 Ų166.878%0.77582%0.815SS**  trans-64105.6171.5-72.8-60.6000108.7
213K44.5Very low44.5Very low201 Ų201171.8 Ų171.887%0.87482%0.82SS**  trans-146.1127.8142.5-70.6-153.1175.5-171.10110.4E211E211-K213 PolarHBondContact O-N 3.46Å; E211-K213 VanDerWaalsContact O-N 3.11Å
214E46.2Very low44.7Very low201 Ų201167.2 Ų167.294%0.93982%0.819SS**  trans-68.6130.8175.4-64.1161.9103.900111.4
215A40.1Very low44.8Very low94 Ų94167.2 Ų167.278%0.77782%0.816SS**  trans-168.8120.7140.700000111.4
216A39.7Very low44.5Very low102 Ų102161 Ų16184%0.84381%0.812SS**  trans34.7101149.200000120.2
217A42.4Very low44.9Very low87 Ų87160.4 Ų160.472%0.71981%0.813SS**  -177129.1109.700000112
218P46.5Very low44.5Very low121 Ų121154.8 Ų154.879%0.78681%0.808SS**  trans-81.5127.217132.1-31.2000110.8
219W40.6Very low44.8Very low234 Ų234154.9 Ų154.989%0.88681%0.809SS**  trans-52.6137174.5-65.882.4000112R221W219-R221 PolarHBondContact O-N 3.28Å
220P47.6Very low44.7Very low114 Ų114151.7 Ų151.774%0.7481%0.812SS**  trans-68.9102.4179.127.8-33.6000110.3L222P220-L222 PolarHBondContact O-N 2.78Å
221R48.8Very low44Very low212 Ų212151.9 Ų151.980%0.881%0.813SS**  trans-67.597.6170.2-72.7-176-71.7-113-0.2109.5W219 R223W219-R221 PolarHBondContact O-N 3.28Å; R221-R223 PolarHBondContact O-N 3.37Å
222L45.2Very low44.1Very low172 Ų172155.4 Ų155.490%0.90182%0.819SS**  trans-60100.2169.7-69.6173.2000109.7P220P220-L222 PolarHBondContact O-N 2.78Å
223R57.1Low44.2Very low210 Ų210154.3 Ų154.379%0.79282%0.82SS**  trans-93121.7169.3-76.7-71.4-174.3-171.3-1108.5R221 K225R221-R223 PolarHBondContact O-N 3.37Å; R223-K225 PolarHBondContact O-N 2.85Å
224P50.7Low43.6Very low126 Ų126147.5 Ų147.582%0.81881%0.807SS**  trans-72.2119.2164.129.1-29.9000108.3
225K49.6Very low43.2Very low196 Ų196144.6 Ų144.685%0.85280%0.803SS**  trans-123.8112.5171.2-164.973.7176.6-1790108.2R223R223-K225 PolarHBondContact O-N 2.85Å
226A41.2Very low43.1Very low88 Ų88147.2 Ų147.273%0.72781%0.809SS**  trans-78.8146174.900000111
227L45.9Very low43.1Very low172 Ų172150.5 Ų150.590%0.90181%0.805SS**  trans174.1123.7140-92.4158.2000107.7
228G34.5Very low42.8Very low69 Ų69151.4 Ų151.471%0.71181%0.812SS**  trans-86.9-147.2167.100000110.4
229P47Very low42.3Very low120 Ų120155.6 Ų155.678%0.77981%0.812SS**  cis-132.2162.5-17.539.6-26.1000112.8
230T35.4Very low42.1Very low137 Ų137151 Ų15184%0.8481%0.81SS**  trans-162.3135.5153.2-90000116.6
231R35.3Very low41.5Very low230 Ų230151.4 Ų151.487%0.86881%0.81SS**  trans44.7105.8148.7-83.3176.5174.7-102.40.6122.1
232R44.1Very low40.8Very low233 Ų233146.9 Ų146.988%0.87981%0.807SS**  -61.4169.1127.2-93.5-177.3159.2-146.5-5.8111
233P45.7Very low40.3Very low121 Ų121150.1 Ų150.179%0.78681%0.807SS**  cis-146.8-175.83242.9-22.1000118.3
234G31.7Very low39.3Very low59 Ų59149 Ų14961%0.60880%0.803SS**  trans13598.8164.600000112.7
235T37.8Very low38.7Very low139 Ų139150.4 Ų150.485%0.85380%0.803SS**  47122.392.159.60000113.2
236V37.7Very low38Very low149 Ų149149.4 Ų149.490%0.90379%0.794SS**  -140.8167.269.71650000113.6
237K41.1Very low37.7Very low172 Ų172153.3 Ų153.375%0.74879%0.794SS**  trans-104.5142.2-165.3168.2-172.3-174.71770111.6
238A35.3Very low37Very low105 Ų105151.1 Ų151.187%0.86879%0.793SS**  trans-138.5129.4159.300000110.5
239R35.6Very low36.9Very low209 Ų209151.4 Ų151.479%0.78980%0.797SS**  trans-113.9134.2172.8-84.1164.456.9-1504.4108.1
240T36.2Very low36.2Very low139 Ų139152.1 Ų152.185%0.85380%0.799SS**  trans-170151.4143.132.10000107.7
241T36.6Very low36.4Very low121 Ų121152.6 Ų152.674%0.74280%0.802SS**  cis-175.8122.7-24.8-82.80000103.6
242T34.2Very low36.3Very low118 Ų118148.8 Ų148.872%0.72480%0.798SS**  trans-7.4132.2156.8-51.80000118.4
243R34.2Very low36.7Very low239 Ų239142.1 Ų142.190%0.90279%0.786SS**  trans-134.8117.4138.4-146.7177.786.8138.11.6111.5
244R36.6Very low36.4Very low187 Ų187144.4 Ų144.471%0.70679%0.79SS**  trans-79.6161.7167.7-79.6-178.7176.5-1085.4110.5
245L37.8Very low36.3Very low156 Ų156153.3 Ų153.382%0.81781%0.806SS**  trans161.7110.1131.7-84.2159.7000105.8
246R34.2Very low36.1Very low175 Ų175150.9 Ų150.966%0.6680%0.799SS**  77.692.152.8-66.3-98-63.6165-12.2114.6
247F34.5Very low36.7Very low170 Ų170149.3 Ų149.375%0.74679%0.792SS**  trans72.7155134.3-72-82.2000124.1
248S32.8Very low36.1Very low125 Ų125145.4 Ų145.487%0.87479%0.792SS**  trans83.5140.2162.6-55.60000117.5
249G31.3Very low36.1Very low76 Ų76149 Ų14978%0.78480%0.796SS**  cis-176.4161.1-3.100000113.9
250T33.3Very low35.9Very low135 Ų135143.4 Ų143.483%0.82879%0.794SS**  trans-62.8145.5175.145.80000115
251T38Very low36Very low146 Ų146142.6 Ų142.690%0.89679%0.794SS**  trans-172.9135.8131.428.10000112.8
252D34Very low35.9Very low150 Ų150141 Ų14180%0.80279%0.793SS**  trans-82.4-168.4162.9-139.3-0.6000109.3
253P52.1Low36.6Very low94 Ų94141.4 Ų141.461%0.6180%0.798SS**  cis-137.1177-17.331.5-8.5000116.4
254L38.8Very low36.7Very low169 Ų169134.5 Ų134.589%0.88579%0.791SS**  trans37.1117.3144.6-64.5167.5000122.2
255R29.8Very low37.3Very low246 Ų246131.9 Ų131.993%0.92880%0.799SS**  trans-167137.4131.5-156132.2-175.8161.90.3115.3
256A35.1Very low37.3Very low87 Ų87128.8 Ų128.872%0.71980%0.796SS**  trans-110.7157.2156.700000109.3
257P49.4Very low38Very low117 Ų117126 Ų12676%0.7680%0.8SS**  -144.6161.385.424.10.3000113.5
258A28.2Very low38.3Very low89 Ų89122.3 Ų122.374%0.73680%0.801SS**  96.9148.45300000115.5
259L35.4Very low38.8Very low181 Ų181122.4 Ų122.495%0.94880%0.799SS**  trans73.2141.1174.1-55.8168.4000116.2
260A32.2Very low39.5Very low91 Ų91125 Ų12575%0.75280%0.799SS**  cis-143.3-166.5-200000108.7
261S37.3Very low40Very low123 Ų123124.4 Ų124.486%0.8680%0.797SS**  cis-158.9-166.29.1-159.40000111.2
262A35.6Very low39.9Very low86 Ų86121.6 Ų121.671%0.71179%0.789SS**  trans-126.1-177.4172.200000110.6
263P47.3Very low40.5Very low128 Ų128120.6 Ų120.683%0.83179%0.791SS**  -145.3-17951.939.5-17.7000117.5
264A37.7Very low39.8Very low93 Ų93122.3 Ų122.377%0.76980%0.8SS**  trans-113.7169.7168.700000111.2
265P48.7Very low39.8Very low132 Ų132119.7 Ų119.786%0.85779%0.793SS**  -150.1177.895.337-17.3000116.9
266A37.3Very low40.1Very low91 Ų91117.2 Ų117.275%0.75279%0.789SS**  trans-95.4-165.8-176.300000112.4
267P49.9Very low40.5Very low117 Ų117119 Ų11976%0.7679%0.793SS**  cis-144.2168.48.543.5-23.8000119.9
268A39.8Very low39.8Very low92 Ų92117.7 Ų117.776%0.7679%0.793SS**  trans47.614214100000122
269P44.4Very low40.4Very low128 Ų128119.1 Ų119.183%0.83180%0.797SS**  -140.4179.161.139.1-20.1000117.5
270V44.6Very low40.5Very low131 Ų131114.7 Ų114.779%0.79478%0.781SS**  trans-97.7151.4-169.1-176.20000112.1
271P44.1Very low41.3Very low121 Ų121116.3 Ų116.379%0.78678%0.784SS**  trans-115.2148.9144.935.3-28.3000112.9
272A36.1Very low41.7Very low87 Ų87113.6 Ų113.672%0.71977%0.769SS**  trans-80.7164.2-171.300000113.8
273P47.4Very low42.5Very low129 Ų129116.2 Ų116.284%0.83878%0.777SS**  trans-82.9140.3-174.433.5-34.5000113
274T36.7Very low43.2Very low130 Ų130113.4 Ų113.480%0.79875%0.754SS**  trans-139.8158.9169.550.10000108.9
275P38.1Very low45.1Very low115 Ų115113 Ų11375%0.74774%0.742SS**  -85.5167.5-112.535.7-36000113.6
276F37.8Very low46.8Very low193 Ų193113.8 Ų113.885%0.84674%0.738SS**  trans-42.6127.5169.4-56.9-93.1000111.6A278F276-A278 PolarHBondContact O-N 2.97Å; F276-A278 VanDerWaalsContact O-N 3.16Å
277P41.6Very low49.2Very low124 Ų124114.7 Ų114.781%0.80573%0.727SS**  trans-62.8114.4145.428.8-28.2000105.4S279P277-S279 PolarHBondContact O-N 3.04Å
278A34.8Very low51.1Low91 Ų91113.7 Ų113.775%0.75271%0.713SS**  trans-52.9118.7165.800000106.6F276 S280F276-A278 PolarHBondContact O-N 2.97Å; F276-A278 VanDerWaalsContact O-N 3.16Å; A278-S280 PolarHBondContact O-N 2.87Å
279S41.7Very low53.5Low119 Ų119114.4 Ų114.483%0.83270%0.7SS**  trans-67.194.1171.5-172.10000106.1P277P277-S279 PolarHBondContact O-N 3.04Å
280S37.8Very low55.9Low87 Ų87112.7 Ų112.761%0.60868%0.683SS**  trans-47.7146.7156.943.10000107.8A278 A282A278-S280 PolarHBondContact O-N 2.87Å; S280-A282 PolarHBondContact O-N 3.39Å
281P48.2Very low58.3Low125 Ų125111.6 Ų111.681%0.81267%0.67SS**  trans-6590.716827.9-32.2000106.4T283P281-T283 PolarHBondContact O-N 2.73Å
282A45.2Very low60.5Low66 Ų66109.5 Ų109.555%0.54565%0.649SS.*  trans-50.4127.8161.100000105.1S280 L284S280-A282 PolarHBondContact O-N 3.39Å; A282-L284 PolarHBondContact O-N 3.11Å
283T53Low63Low141 Ų141107.4 Ų107.487%0.86563%0.632SS**  trans-67.278.7172.251.50000107.1P281 T285P281-T283 PolarHBondContact O-N 2.73Å; T283-T285 PolarHBondContact O-N 3.09Å
284L63.3Low64.9Low69 Ų69105.2 Ų105.236%0.36161%0.613SS.*  trans-52.1136.7172.6-67.2-177.7000106.3A282 E288 E289A282-L284 PolarHBondContact O-N 3.11Å; L284-E288 HydrophobicContact CB-CB 4.38Å; L284-E288 HydrophobicContact CD2-CG 4.09Å; L284-E289 HydrophobicContact CB-CB 4.18Å
285T77.1Confident67.4Low85 Ų85103.7 Ų103.752%0.52160%0.596SS.*  trans-60.8146.1173.865.20000108T283 E287 E288 E289T283-T285 PolarHBondContact O-N 3.09Å; T285-E287 PolarHBondContact O-N 3.35Å; T285-E288 WeakPolarHBondContact O-CA 3.27Å; T285-E288 WeakPolarHBondContact O-CB 3.46Å; T285-E288 PolarHBondContact O-N 3.48Å; T285-E288 WeakPolarHBondContact OG1-CB 3.43Å; T285-E289 PolarHBondContact O-N 3.43Å
286L83.7Confident69.7Low148 Ų148104 Ų10478%0.77558%0.582SS**Hα-helixtrans-48.6-36.3-177.1-175.783.3000112.6L290L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 2.92Å
287E88.2Confident71.7Confident111 Ų11198.1 Ų98.152%0.51957%0.57SS.*Hα-helixtrans-65.4-41.8175.5-17961.1-154.600112.6T285 L290 Q291T285-E287 PolarHBondContact O-N 3.35Å; E287-L290 PolarHBondContact O-N 3.04Å; E287-Q291 WeakPolarHBondContact O-CB 3.49Å; E287-Q291 WeakPolarHBondContact O-CG 3.5Å; E287-Q291 PolarHBondContact O-N 3.36Å; E287-Q291 PolarHBondContact OE1-NE2 3.39Å
288E89.3Confident73.5Confident96 Ų9699 Ų9945%0.44956%0.563SS.*Hα-helixtrans-74.3-38.1179.7-167.9171.9-162.100111.7L284 T285 Q291 E292L284-E288 HydrophobicContact CB-CB 4.38Å; L284-E288 HydrophobicContact CD2-CG 4.09Å; T285-E288 WeakPolarHBondContact O-CA 3.27Å; T285-E288 WeakPolarHBondContact O-CB 3.46Å; T285-E288 PolarHBondContact O-N 3.48Å; T285-E288 WeakPolarHBondContact OG1-CB 3.43Å; E288-Q291 PolarHBondContact O-N 3.44Å; E288-E292 VanDerWaalsContact O-CB 3.27Å; E288-E292 WeakPolarHBondContact O-CB 3.34Å; E288-E292 PolarHBondContact O-N 2.97Å
289E91.3Very high75.3Confident106 Ų106100.1 Ų100.150%0.49556%0.556SS.*Hα-helixtrans-62.5-42.5169.6-168.9-171156.800111.2L284 T285 E292 A293L284-E289 HydrophobicContact CB-CB 4.18Å; T285-E289 PolarHBondContact O-N 3.43Å; E289-E292 PolarHBondContact O-N 2.87Å; E289-A293 VanDerWaalsContact O-CB 3.25Å; E289-A293 WeakPolarHBondContact O-CB 3.47Å; E289-A293 PolarHBondContact O-N 2.91Å
290L94.1Very high76.4Confident92 Ų9298.7 Ų98.748%0.48254%0.539SS..Hα-helixtrans-63.7-44175.417762.3000111.8L286 E287 A293 I294L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 2.92Å; E287-L290 PolarHBondContact O-N 3.04Å; L290-A293 PolarHBondContact O-N 3.47Å; L290-I294 HydrophobicContact CD1-CD1 3.94Å; L290-I294 HydrophobicContact CD1-CG1 4.3Å; L290-I294 HydrophobicContact CG-CD1 3.93Å; L290-I294 WeakPolarHBondContact O-CB 3.29Å; L290-I294 WeakPolarHBondContact O-CD1 3.45Å; L290-I294 WeakPolarHBondContact O-CG1 3.36Å; L290-I294 PolarHBondContact O-N 3.12Å
291Q94.9Very high77.6Confident109 Ų10999.7 Ų99.751%0.50954%0.543SS..Hα-helixtrans-63-43.8176.3-75.117112.600111.5E287 E288 I294 H295E287-Q291 WeakPolarHBondContact O-CB 3.49Å; E287-Q291 WeakPolarHBondContact O-CG 3.5Å; E287-Q291 PolarHBondContact O-N 3.36Å; E287-Q291 PolarHBondContact OE1-NE2 3.39Å; E288-Q291 PolarHBondContact O-N 3.44Å; Q291-I294 PolarHBondContact O-N 3.35Å; Q291-H295 WeakPolarHBondContact O-CB 3.42Å; Q291-H295 PolarHBondContact O-N 3.01Å
292E90.4Very high77.9Confident76 Ų76101.3 Ų101.336%0.35555%0.545SS..Hα-helixtrans-69.5-33.4177.2-176.253.6-150.300112.2E288 E289 H295 R296E288-E292 VanDerWaalsContact O-CB 3.27Å; E288-E292 WeakPolarHBondContact O-CB 3.34Å; E288-E292 PolarHBondContact O-N 2.97Å; E289-E292 PolarHBondContact O-N 2.87Å; E292-H295 IonicContact OE2-ND1 3.6Å; E292-R296 WeakPolarHBondContact O-CB 3.4Å; E292-R296 VanDerWaalsContact O-CG 3.25Å; E292-R296 WeakPolarHBondContact O-CG 3.47Å; E292-R296 PolarHBondContact O-N 3.4Å; E292-R296 PolarHBondContact O-NE 3.49Å; E292-R296 VanDerWaalsContact O-NE 3.11Å; E292-R296 WeakPolarHBondContact OE1-CD 3.25Å; E292-R296 WeakPolarHBondContact OE1-CG 3.3Å; E292-R296 IonicContact OE1-NE 3.94Å
293A87.8Confident78.7Confident44 Ų44102.9 Ų102.936%0.36454%0.537SS..Hα-helixtrans-67-43.5171.500000112E289 L290 R296 A297E289-A293 VanDerWaalsContact O-CB 3.25Å; E289-A293 WeakPolarHBondContact O-CB 3.47Å; E289-A293 PolarHBondContact O-N 2.91Å; L290-A293 PolarHBondContact O-N 3.47Å; A293-R296 PolarHBondContact O-N 3.27Å; A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.4Å; A293-A297 PolarHBondContact O-N 3.01Å
294I88.4Confident79.2Confident83 Ų83100.1 Ų100.143%0.42652%0.517SS..Hα-helixtrans-63.2-43.5175.7-71165.7000110.7L290 Q291 A297 Q298L290-I294 HydrophobicContact CD1-CD1 3.94Å; L290-I294 HydrophobicContact CD1-CG1 4.3Å; L290-I294 HydrophobicContact CG-CD1 3.93Å; L290-I294 WeakPolarHBondContact O-CB 3.29Å; L290-I294 WeakPolarHBondContact O-CD1 3.45Å; L290-I294 WeakPolarHBondContact O-CG1 3.36Å; L290-I294 PolarHBondContact O-N 3.12Å; Q291-I294 PolarHBondContact O-N 3.35Å; I294-A297 PolarHBondContact O-N 3.47Å; I294-Q298 VanDerWaalsContact O-CG 3.31Å; I294-Q298 WeakPolarHBondContact O-CG 3.48Å; I294-Q298 PolarHBondContact O-N 3.42Å; I294-Q298 VanDerWaalsContact O-N 3.07Å
295H88.1Confident79.1Confident98 Ų98102.7 Ų102.745%0.45453%0.529SS..Hα-helixtrans-62.2-48177.3-178-127.4000111.6Q291 E292 A297 Q298 L299Q291-H295 WeakPolarHBondContact O-CB 3.42Å; Q291-H295 PolarHBondContact O-N 3.01Å; E292-H295 IonicContact OE2-ND1 3.6Å; H295-A297 PolarHBondContact O-N 3.03Å; H295-Q298 PolarHBondContact O-N 3.07Å; H295-L299 WeakPolarHBondContact O-CG 3.14Å; H295-L299 PolarHBondContact O-N 2.85Å; H295-L299 VanDerWaalsContact O-N 3.09Å
296R86.6Confident78.6Confident120 Ų120102.7 Ų102.745%0.45353%0.526SS..Hα-helixtrans-62.7-41176.1-72.8179.1-68-175-2.3112.9E292 A293 Q298 L299 L300E292-R296 WeakPolarHBondContact O-CB 3.4Å; E292-R296 VanDerWaalsContact O-CG 3.25Å; E292-R296 WeakPolarHBondContact O-CG 3.47Å; E292-R296 PolarHBondContact O-N 3.4Å; E292-R296 PolarHBondContact O-NE 3.49Å; E292-R296 VanDerWaalsContact O-NE 3.11Å; E292-R296 WeakPolarHBondContact OE1-CD 3.25Å; E292-R296 WeakPolarHBondContact OE1-CG 3.3Å; E292-R296 IonicContact OE1-NE 3.94Å; A293-R296 PolarHBondContact O-N 3.27Å; R296-Q298 VanDerWaalsContact C-N 3.31Å; R296-Q298 PolarHBondContact O-N 2.97Å; R296-L299 PolarHBondContact O-N 3.48Å; R296-L300 PolarHBondContact O-N 3.19Å
297A80.1Confident77.7Confident71 Ų7199.9 Ų99.959%0.58751%0.512SS*.Hα-helixtrans-64.8-32.8176.900000113A293 I294 H295A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.4Å; A293-A297 PolarHBondContact O-N 3.01Å; I294-A297 PolarHBondContact O-N 3.47Å; H295-A297 PolarHBondContact O-N 3.03Å
298Q79.8Confident76.6Confident142 Ų14299.5 Ų99.566%0.66451%0.512SS*.Hα-helixtrans-76.1-28.6175.3-70.9175.226.700113.1I294 H295 R296I294-Q298 VanDerWaalsContact O-CG 3.31Å; I294-Q298 WeakPolarHBondContact O-CG 3.48Å; I294-Q298 PolarHBondContact O-N 3.42Å; I294-Q298 VanDerWaalsContact O-N 3.07Å; H295-Q298 PolarHBondContact O-N 3.07Å; R296-Q298 VanDerWaalsContact C-N 3.31Å; R296-Q298 PolarHBondContact O-N 2.97Å
299L73.3Confident75.4Confident114 Ų114100.1 Ų100.160%0.59752%0.518SS*.Hα-helixtrans-81-15.8178.4-72.6172.9000114.2H295 R296 P301H295-L299 WeakPolarHBondContact O-CG 3.14Å; H295-L299 PolarHBondContact O-N 2.85Å; H295-L299 VanDerWaalsContact O-N 3.09Å; R296-L299 PolarHBondContact O-N 3.48Å; L299-P301 VanDerWaalsContact C-CD 3.44Å; L299-P301 WeakPolarHBondContact O-CD 3.47Å
300L63Low73.9Confident90 Ų90101.6 Ų101.647%0.47153%0.525SS..  trans-121.568179.3-75.5147.4000112.8R296 N302 R303R296-L300 PolarHBondContact O-N 3.19Å; L300-N302 PolarHBondContact O-N 3.13Å; L300-R303 HydrophobicContact CB-CB 4.09Å; L300-R303 HydrophobicContact CD2-CB 4.41Å; L300-R303 PolarHBondContact O-N 3.01Å
301P63.6Low72.3Confident108 Ų108104 Ų10470%0.70154%0.538SS*.THydrogen-bonded Turntrans-60.8-13.1178.6-23.734.5000115.9L299L299-P301 VanDerWaalsContact C-CD 3.44Å; L299-P301 WeakPolarHBondContact O-CD 3.47Å
302N55.5Low70.3Confident158 Ų158106.9 Ų106.985%0.84555%0.551SS**THydrogen-bonded Turntrans-123.712.3-169.8-61.7-23.6000113.8L300L300-N302 PolarHBondContact O-N 3.13Å
303R61.5Low68.4Low100 Ų100108.5 Ų108.538%0.37757%0.566SS.*  trans-77124.2176.1-176.9172.3166.8-164.30.1109L300 D307 I308 D311L300-R303 HydrophobicContact CB-CB 4.09Å; L300-R303 HydrophobicContact CD2-CB 4.41Å; L300-R303 PolarHBondContact O-N 3.01Å; R303-D307 HydrophobicContact CG-CB 3.65Å; R303-D307 VanDerWaalsContact CZ-O 3.32Å; R303-D307 PolarHBondContact NE-O 3.49Å; R303-D307 PolarHBondContact NH2-O 2.7Å; R303-I308 HydrophobicContact CG-CG1 4.38Å; R303-D311 IonicContact NH2-OD2 3.64Å
304N63Low66.2Low83 Ų83114.2 Ų114.244%0.44459%0.585SS.*  trans-72.8160.3-176.8-17213.4000110.2D306 D307N304-D306 PolarHBondContact ND2-OD2 3.07Å; N304-D306 PolarHBondContact O-N 3.47Å; N304-D307 WeakPolarHBondContact CB-OD2 3.31Å; N304-D307 PolarHBondContact N-OD2 3.16Å; N304-D307 PolarHBondContact O-N 3.1Å
305I61.8Low64.6Low123 Ų123115.7 Ų115.763%0.63160%0.601SS**SBendtrans-62.4-33.5177.6-62.2167.8000110.4I308 L309I305-I308 PolarHBondContact O-N 3.35Å; I305-L309 HydrophobicContact CG2-CD1 4.23Å; I305-L309 PolarHBondContact O-N 3.45Å
306D66.6Low62.5Low85 Ų85117 Ų11746%0.45561%0.611SS.*Hα-helixtrans-60.5-48175.7-53.7-48.2000111N304 I308 L309 E310N304-D306 PolarHBondContact ND2-OD2 3.07Å; N304-D306 PolarHBondContact O-N 3.47Å; D306-I308 PolarHBondContact O-N 2.85Å; D306-L309 PolarHBondContact O-N 3.23Å; D306-E310 PolarHBondContact O-N 3Å
307D64.3Low60.3Low89 Ų89117.3 Ų117.348%0.47662%0.622SS.*Hα-helixtrans-62.4-0.2176-55.5-52.5000115R303 N304R303-D307 HydrophobicContact CG-CB 3.65Å; R303-D307 VanDerWaalsContact CZ-O 3.32Å; R303-D307 PolarHBondContact NE-O 3.49Å; R303-D307 PolarHBondContact NH2-O 2.7Å; N304-D307 WeakPolarHBondContact CB-OD2 3.31Å; N304-D307 PolarHBondContact N-OD2 3.16Å; N304-D307 PolarHBondContact O-N 3.1Å
308I65.4Low59.1Low103 Ų103121.7 Ų121.753%0.52863%0.634SS.*Hα-helixtrans-106.9-24.8173.9-57.5171.9000110.7R303 I305 D306R303-I308 HydrophobicContact CG-CG1 4.38Å; I305-I308 PolarHBondContact O-N 3.35Å; D306-I308 PolarHBondContact O-N 2.85Å
309L63.5Low57.6Low109 Ų109122.5 Ų122.557%0.57164%0.642SS**Hα-helixtrans-86.3-35.9177.3-79.2157.5000112.4I305 D306 D311 H312I305-L309 HydrophobicContact CG2-CD1 4.23Å; I305-L309 PolarHBondContact O-N 3.45Å; D306-L309 PolarHBondContact O-N 3.23Å; L309-D311 PolarHBondContact O-N 2.95Å; L309-H312 PolarHBondContact O-N 3.25Å
310E60.9Low56.5Low137 Ų137122 Ų12264%0.6465%0.646SS**G310 helixtrans-58.4-32.8177.2-10868.3-138.200113.3D306 H312 V313D306-E310 PolarHBondContact O-N 3Å; E310-H312 PolarHBondContact O-N 3.17Å; E310-H312 VanDerWaalsContact O-N 3.17Å; E310-V313 PolarHBondContact O-N 2.92Å
311D59.5Low55.9Low142 Ų142123.8 Ų123.876%0.75966%0.663SS**G310 helixtrans-71.6-4.8-178.7-127.812.9000113.4R303 L309R303-D311 IonicContact NH2-OD2 3.64Å; L309-D311 PolarHBondContact O-N 2.95Å
312H53.3Low54.9Low169 Ų169126.2 Ų126.278%0.78267%0.668SS**G310 helixtrans-108.212.8179.3-163.6-72.9000112.7L309 E310L309-H312 PolarHBondContact O-N 3.25Å; E310-H312 PolarHBondContact O-N 3.17Å; E310-H312 VanDerWaalsContact O-N 3.17Å
313V50.7Low54.2Low111 Ų111124.2 Ų124.267%0.67367%0.667SS**  trans-119.868.7179.3-169.20000111.4E310 P315E310-V313 PolarHBondContact O-N 2.92Å; V313-P315 WeakPolarHBondContact O-CD 3.43Å
314E42.3Very low53.4Low163 Ų163126.2 Ų126.276%0.76268%0.684SS**  trans-102.9100.7151.8-175.9177.4-115.600108.4D316E314-D316 HydrophobicContact CG-CB 4.18Å; E314-D316 PolarHBondContact O-N 3.4Å
315P54.4Low52.4Low115 Ų115129 Ų12975%0.74770%0.699SS**  trans-91.372.3176.335.7-32.2000110.2V313V313-P315 WeakPolarHBondContact O-CD 3.43Å
316D42.7Very low51.6Low125 Ų125131.2 Ų131.267%0.66870%0.704SS**  trans-88.4130.6-176.9-119.4-11.4000114.6E314E314-D316 HydrophobicContact CG-CB 4.18Å; E314-D316 PolarHBondContact O-N 3.4Å
317D40.8Very low50.8Low127 Ų127133 Ų13368%0.67972%0.721SS**  trans46.199.8165.2-95.1-20.9000122.8L319D317-L319 PolarHBondContact O-N 2.78Å
318L54.7Low49.6Very low163 Ų163131.8 Ų131.885%0.85373%0.729SS**  15.395.4124.7-60.3176.3000118.1
319L48Very low48.4Very low159 Ų159132.6 Ų132.683%0.83274%0.744SS**  trans-120.4141.3156.8-68.1176.9000110.8D317D317-L319 PolarHBondContact O-N 2.78Å
320P51.8Low47.3Very low104 Ų104136.8 Ų136.868%0.67576%0.758SS**PPolyproline II helixtrans-69.4153.7-176.729.2-35.4000111.9I322P320-I322 PolarHBondContact O-N 2.78Å
321P49.2Very low46.5Very low127 Ų127136.9 Ų136.983%0.82576%0.763SS**PPolyproline II helixtrans-63121.5-179.225.8-34000111S323P321-S323 PolarHBondContact O-N 2.71Å
322I42.9Very low45.8Very low159 Ų159135.2 Ų135.282%0.81576%0.758SS**PPolyproline II helixtrans-63.4127.6175.7-62.9168000108.9P320 L324P320-I322 PolarHBondContact O-N 2.78Å; I322-L324 PolarHBondContact O-N 3.38Å
323S41.3Very low45.2Very low115 Ų115135.1 Ų135.180%0.80476%0.762SS**  trans-57.5111176.1-57.20000111P321 D325P321-S323 PolarHBondContact O-N 2.71Å; S323-D325 VanDerWaalsContact C-N 3.31Å; S323-D325 PolarHBondContact O-N 3.21Å
324L43.4Very low44.8Very low143 Ų143135 Ų13575%0.74977%0.766SS**  trans-80.778.1179.7-150.575000109.7I322 F326I322-L324 PolarHBondContact O-N 3.38Å; L324-F326 HydrophobicContact CD2-CD2 3.92Å; L324-F326 HydrophobicContact CD2-CE2 3.66Å; L324-F326 HydrophobicContact CG-CD2 3.86Å; L324-F326 HydrophobicContact CG-CE2 3.76Å; L324-F326 PolarHBondContact O-N 2.92Å
325D42.4Very low44.7Very low142 Ų142133.2 Ų133.276%0.75977%0.769SS**  trans-69.290.2177.3-175.129.7000110.9S323 P327S323-D325 VanDerWaalsContact C-N 3.31Å; S323-D325 PolarHBondContact O-N 3.21Å; D325-P327 WeakPolarHBondContact O-CD 3.45Å
326F46.1Very low43.5Very low168 Ų168132.6 Ų132.674%0.73777%0.767SS**  trans-98.1106.3165.4-87.2-76000109.3L324 G328L324-F326 HydrophobicContact CD2-CD2 3.92Å; L324-F326 HydrophobicContact CD2-CE2 3.66Å; L324-F326 HydrophobicContact CG-CD2 3.86Å; L324-F326 HydrophobicContact CG-CE2 3.76Å; L324-F326 PolarHBondContact O-N 2.92Å; F326-G328 VanDerWaalsContact C-N 3.28Å; F326-G328 PolarHBondContact O-N 3.46Å
327P49.6Very low43.9Very low124 Ų124132.9 Ų132.981%0.80578%0.776SS**  trans-7484.4172.130.2-34000109.4D325D325-P327 WeakPolarHBondContact O-CD 3.45Å
328G38.2Very low43.8Very low63 Ų63133.2 Ų133.265%0.64978%0.777SS**  trans-149.550.4-170.900000113F326 F330F326-G328 VanDerWaalsContact C-N 3.28Å; F326-G328 PolarHBondContact O-N 3.46Å; G328-F330 PolarHBondContact O-N 3.41Å
329S41.8Very low43.3Very low119 Ų119130.7 Ų130.783%0.83277%0.774SS**  trans-60.4119.6177.3179.80000112.3
330F40.2Very low43.2Very low198 Ų198132.8 Ų132.887%0.86878%0.779SS**  -149.5147114.462.6-85.7000110.3G328G328-F330 PolarHBondContact O-N 3.41Å
331D43.9Very low42.8Very low139 Ų139130.4 Ų130.474%0.74377%0.774SS**  trans-122.5169-166.8-177.117.4000109.1
332V44.3Very low42.5Very low107 Ų107133.8 Ų133.865%0.64878%0.776SS**  trans68.3106.3165.9-159.20000113.6
333L39.6Very low42.3Very low166 Ų166131.1 Ų131.187%0.86977%0.771SS**  -153.3150.563.8-79.4166.7000114
334S42.6Very low42.3Very low109 Ų109130.7 Ų130.776%0.76277%0.768SS**PPolyproline II helixtrans-67.6160.5175.5-520000114.7
335P41.1Very low42.1Very low126 Ų126129.6 Ų129.682%0.81877%0.767SS**PPolyproline II helixtrans-78.8133.9177.831.8-34.5000112.8
336S29.4Very low41.8Very low101 Ų101131.9 Ų131.971%0.70677%0.77SS**PPolyproline II helixtrans-97.2138.9159.2-79.30000110.1
337P51.5Low41.4Very low132 Ų132128.6 Ų128.686%0.85777%0.768SS**  trans-103.192.6-178.536.6-29.6000112
338D37Very low40.8Very low133 Ų133128.1 Ų128.171%0.71177%0.768SS**  trans-148.4148174.855.5-53.4000113.7
339S45.3Very low40.6Very low111 Ų111131 Ų13178%0.77678%0.778SS**  trans77.570.6177.1-51.40000117.8
340E45.2Very low40.7Very low202 Ų202132.2 Ų132.294%0.94478%0.775SS**  trans-9.2123.7130.8-54.6174.8174.500115.8
341G44.1Very low40.8Very low55 Ų55128.9 Ų128.957%0.56777%0.773SS**  trans179.395.7173.700000115.6
342F42Very low40.4Very low198 Ų198126.9 Ų126.987%0.86877%0.77SS**  trans62.389.5160-42.6-71.9000115.7
343S39Very low40Very low103 Ų103127.6 Ų127.672%0.7278%0.777SS**  59.2123.990.876.20000115.5
344S40.9Very low39.6Very low106 Ų106126 Ų12674%0.74177%0.774SS**  trans30.4126.1136.4-1460000117.7
345V40.3Very low39.3Very low119 Ų119126.5 Ų126.572%0.72178%0.777SS**  cis-162.2154.447.7-139.70000110.8
346F36.6Very low38.7Very low190 Ų190125.8 Ų125.883%0.83378%0.775SS**  trans22.9116.3142.3-96.4-103.1000119.7
347S37.2Very low39Very low99 Ų99128.9 Ų128.969%0.69278%0.783SS**  163.8132.698.1-73.20000114.3S349S347-S349 PolarHBondContact O-N 3.5Å
348S35.7Very low38.4Very low115 Ų115127.9 Ų127.980%0.80478%0.779SS**  trans-59.6126.5162.7-45.10000111.4
349S35.3Very low39Very low123 Ų123127 Ų12786%0.8678%0.781SS**  trans-97.387.8168.7-710000111.1S347S347-S349 PolarHBondContact O-N 3.5Å
350L44.4Very low38.2Very low144 Ų144126.8 Ų126.875%0.75478%0.779SS**  trans-76.6131.9162.2-73164000109.6S352L350-S352 PolarHBondContact O-N 2.76Å; L350-S352 VanDerWaalsContact O-N 3.08Å
351P42.1Very low38.3Very low128 Ų128122 Ų12283%0.83177%0.766SS**  trans-7693.8167.730.6-32.2000110.2
352S34.7Very low37.9Very low97 Ų97131.3 Ų131.368%0.67878%0.784SS**  trans-77.6137.6169.5-70.10000111.2L350 T354L350-S352 PolarHBondContact O-N 2.76Å; L350-S352 VanDerWaalsContact O-N 3.08Å; S352-T354 PolarHBondContact O-N 3.46Å
353P36.1Very low37.7Very low123 Ų123126.3 Ų126.380%0.79978%0.78SS**  trans-79.7110.6-17830.7-33.9000111.9S355P353-S355 PolarHBondContact O-N 3.5Å; P353-S355 VanDerWaalsContact O-N 3.11Å
354T30.3Very low37.9Very low131 Ų131129.2 Ų129.280%0.80479%0.786SS**  trans-72.1105.6176.9-38.80000111.4S352S352-T354 PolarHBondContact O-N 3.46Å
355S36.3Very low38.2Very low120 Ų120130.6 Ų130.684%0.83979%0.79SS**  trans-92.5118156.1-670000109.1P353P353-S355 PolarHBondContact O-N 3.5Å; P353-S355 VanDerWaalsContact O-N 3.11Å
356S29Very low38.6Very low111 Ų111131 Ų13178%0.77679%0.788SS**  trans-148.8145.6163.4590000110.7
357L36.2Very low39.2Very low167 Ų167125.7 Ų125.787%0.87478%0.775SS**  trans-117150.9-164.3-99.8159.7000111.8
358S39.3Very low39.5Very low110 Ų110128 Ų12877%0.76978%0.779SS**  trans72.9171.7150.6-123.70000117.6
359P49.5Very low40.4Very low115 Ų115126.5 Ų126.575%0.74776%0.761SS**  cis-137.5-169.1-1.737.7-17.2000116.8
360S27.7Very low41.4Very low106 Ų106127.9 Ų127.974%0.74175%0.748SS**  trans115.8155.7146.1-142.90000117.5
361P48Very low41.5Very low103 Ų103125.9 Ų125.967%0.66974%0.738SS**  -135.7149.8-65.839.9-26.2000114.9
362R34.3Very low42Very low249 Ų249126.8 Ų126.894%0.9473%0.731SS**SBendtrans176.3152.4145.1-98.8157.4-167.6165.75.4109.7
363A38.4Very low43Very low94 Ų94127 Ų12778%0.77773%0.728SS**  trans67.372.3-17500000115.7
364L43.8Very low43.5Very low164 Ų164127.9 Ų127.986%0.85973%0.725SS**  trans-107.971166-93.5169.6000110.3
365T47.1Very low44.6Very low134 Ų134126 Ų12682%0.82272%0.717SS**  trans-136.13.4170.552.70000113.4
366D49.1Very low44.9Very low128 Ų128123.9 Ų123.968%0.68471%0.714SS**  trans-113.129.9-166.7-158.921000112.8
367S49.3Very low46Very low79 Ų79121.1 Ų121.155%0.55270%0.703SS**SBendtrans-121.99-175.9-56.10000114.3W370S367-W370 VanDerWaalsContact O-CD1 3.31Å; S367-W370 PolarHBondContact O-NE1 2.94Å
368L43Very low46.8Very low147 Ų147118.7 Ų118.777%0.7770%0.698SS**SBendtrans-114.9-21173.4-129.370000113.4W370 L371L368-W370 PolarHBondContact O-N 3.22Å; L368-L371 PolarHBondContact O-N 3.36Å
369D54.5Low47.2Very low83 Ų83119.4 Ų119.444%0.44470%0.7SS.*Hα-helixtrans-77.5-18.9-174.1-164.531.9000114.1L371 E372 T373D369-L371 PolarHBondContact O-N 3.42Å; D369-E372 PolarHBondContact O-N 3.33Å; D369-E372 VanDerWaalsContact O-N 3.17Å; D369-T373 PolarHBondContact O-N 2.89Å; D369-T373 PolarHBondContact O-OG1 3.49Å
370W56.9Low47.2Very low152 Ų152123 Ų12358%0.57671%0.712SS**Hα-helixtrans-67.5-17.3175.170.8-88.1000113.6S367 L368 T373S367-W370 VanDerWaalsContact O-CD1 3.31Å; S367-W370 PolarHBondContact O-NE1 2.94Å; L368-W370 PolarHBondContact O-N 3.22Å; W370-T373 WeakPolarHBondContact CA-OG1 3.37Å; W370-T373 PolarHBondContact O-OG1 2.87Å
371L47Very low48.1Very low103 Ų103120.9 Ų120.954%0.53971%0.707SS.*Hα-helixtrans-89.8-27.1173.2-92.3156.3000112.5L368 D369L368-L371 PolarHBondContact O-N 3.36Å; D369-L371 PolarHBondContact O-N 3.42Å
372E52.2Low48.2Very low147 Ų147122.1 Ų122.169%0.68772%0.718SS**Hα-helixtrans-79.4-38.8177.3-164.7159.2170.100111.1D369 L374 S375D369-E372 PolarHBondContact O-N 3.33Å; D369-E372 VanDerWaalsContact O-N 3.17Å; E372-L374 VanDerWaalsContact C-N 3.26Å; E372-L374 PolarHBondContact O-N 2.79Å; E372-S375 CarbonylContact O-C 3.51Å; E372-S375 PolarHBondContact O-N 2.96Å
373T55.3Low49Very low100 Ų100113.6 Ų113.661%0.61371%0.707SS**THydrogen-bonded Turntrans-65.1-19.9174.4450000115.2D369 W370D369-T373 PolarHBondContact O-N 2.89Å; D369-T373 PolarHBondContact O-OG1 3.49Å; W370-T373 WeakPolarHBondContact CA-OG1 3.37Å; W370-T373 PolarHBondContact O-OG1 2.87Å
374L46.8Very low49.8Very low142 Ų142115 Ų11574%0.74371%0.709SS**THydrogen-bonded Turntrans-89.5-12.2170.2-72.9174.1000113.4E372E372-L374 VanDerWaalsContact C-N 3.26Å; E372-L374 PolarHBondContact O-N 2.79Å
375S52.2Low50.5Low91 Ų91113.5 Ų113.564%0.63671%0.709SS**  trans-102.951.3177.4-169.50000111.4E372 G377E372-S375 CarbonylContact O-C 3.51Å; E372-S375 PolarHBondContact O-N 2.96Å; S375-G377 PolarHBondContact O-N 2.91Å
376G42.8Very low50.9Low76 Ų76110.1 Ų110.178%0.78470%0.701SS**  trans-68.158.1173.300000113.9
377G51.7Low51.1Low53 Ų53110.3 Ų110.355%0.54671%0.709SS.*PPolyproline II helixtrans-71.8138.2162.100000109.6S375S375-G377 PolarHBondContact O-N 2.91Å
378P53.5Low51Low117 Ų117110.9 Ų110.976%0.7671%0.713SS**PPolyproline II helixtrans-65.9140.9178.828.1-34000110.1L380P378-L380 PolarHBondContact O-N 3.33Å
379P47.2Very low51.8Low124 Ų124112 Ų11281%0.80572%0.718SS**PPolyproline II helixtrans-60132170.726-33.2000109.1G381P379-G381 PolarHBondContact O-N 3.23Å
380L51Low51.6Low190 Ų190117.4 Ų117.4100%0.99574%0.738SS**  trans-60.8101.8177-80.4161.9000109.8P378P378-L380 PolarHBondContact O-N 3.33Å
381G45.4Very low50.8Low63 Ų63115.3 Ų115.365%0.64975%0.746SS**  trans-151.271.8-172.500000112.5P379P379-G381 PolarHBondContact O-N 3.23Å
382S51.7Low50.6Low129 Ų129114.8 Ų114.890%0.90276%0.757SS**  trans42.597.6157.459.40000118.8
383G50.4Low50.1Low69 Ų69114.2 Ų114.271%0.71176%0.758SS**  trans179141.1161.200000112.3
384P55.6Low49.4Very low125 Ų125115.2 Ų115.281%0.81276%0.764SS**PPolyproline II helixtrans-68.6149.1177.529.5-34.5000111.3G386P384-G386 PolarHBondContact O-N 3.06Å
385P57.2Low49.1Very low132 Ų132112.5 Ų112.586%0.85776%0.757SS**PPolyproline II helixtrans-68.2124.6-174.627.1-34.3000112
386G55.5Low48.4Very low63 Ų63115.2 Ų115.265%0.64976%0.764SS**PPolyproline II helixtrans-70.7152.7168.400000111.9P384P384-G386 PolarHBondContact O-N 3.06Å
387P53.6Low48.4Very low132 Ų132116.6 Ų116.686%0.85776%0.762SS**PPolyproline II helixtrans-65.4136-174.525.5-33.9000112.7
388S48.4Very low48.1Very low90 Ų90120.4 Ų120.463%0.62978%0.775SS**PPolyproline II helixtrans-63.3137.3177.7-179.40000112F390S388-F390 PolarHBondContact O-N 3.09Å; S388-F390 PolarHBondContact OG-N 2.6Å
389I59.4Low47.4Very low171 Ų171120.4 Ų120.488%0.87778%0.778SS**SBendtrans-81.92.5-178.1-10.7177.6000113.3
390F50.6Low47.1Very low197 Ų197121.6 Ų121.686%0.86478%0.783SS**  trans-108.366.6171.1-90.7-85.4000111.1S388S388-F390 PolarHBondContact O-N 3.09Å; S388-F390 PolarHBondContact OG-N 2.6Å
391S39.6Very low46.5Very low107 Ų107115.8 Ų115.875%0.74877%0.769SS**  trans-128.290.1156.6-70.30000107.1D393S391-D393 PolarHBondContact O-N 3.05Å
392A42.5Very low46.2Very low92 Ų92119.7 Ų119.776%0.7677%0.774SS**  trans-67.9115.4170.200000107.9V394A392-V394 PolarHBondContact O-N 3.11Å
393D40.9Very low45.8Very low135 Ų135124.2 Ų124.272%0.72277%0.771SS**  trans-62.594.9171.4-174.3-11.4000109.3S391 S395S391-D393 PolarHBondContact O-N 3.05Å; D393-S395 WeakPolarHBondContact OD1-CB 3.36Å; D393-S395 PolarHBondContact OD1-N 2.96Å; D393-S395 VanDerWaalsContact OD1-N 3.09Å; D393-S395 PolarHBondContact OD1-OG 3.34Å
394V41.8Very low45.3Very low121 Ų121128.9 Ų128.973%0.73378%0.775SS**  trans-9578.7162.6-166.80000106.6A392 D396A392-V394 PolarHBondContact O-N 3.11Å; V394-D396 PolarHBondContact O-N 2.92Å
395S40.3Very low44.6Very low85 Ų85130.1 Ų130.159%0.59477%0.774SS**  trans-63.675172.3-83.80000111.5D393 S397D393-S395 WeakPolarHBondContact OD1-CB 3.36Å; D393-S395 PolarHBondContact OD1-N 2.96Å; D393-S395 VanDerWaalsContact OD1-N 3.09Å; D393-S395 PolarHBondContact OD1-OG 3.34Å; S395-S397 VanDerWaalsContact C-N 3.32Å; S395-S397 PolarHBondContact O-N 2.98Å
396D37.7Very low43.8Very low149 Ų149131.2 Ų131.280%0.79777%0.771SS**  trans-81.382.8172.6-139.4-7.1000109.5V394 T398V394-D396 PolarHBondContact O-N 2.92Å; D396-T398 VanDerWaalsContact C-N 3.31Å; D396-T398 PolarHBondContact O-N 3.35Å
397S42.1Very low43.7Very low104 Ų104133.6 Ų133.673%0.72778%0.776SS**  trans-78.467.6-173.5-62.40000112.5S395S395-S397 VanDerWaalsContact C-N 3.32Å; S395-S397 PolarHBondContact O-N 2.98Å
398T45.8Very low43.1Very low133 Ų133135.1 Ų135.182%0.81678%0.777SS**  trans-15478.7162.6-48.80000113.2D396D396-T398 VanDerWaalsContact C-N 3.31Å; D396-T398 PolarHBondContact O-N 3.35Å
399S39.1Very low42.8Very low118 Ų118134.5 Ų134.583%0.82578%0.777SS**  trans-159.888.2152.9-170.20000111.2
400T39.5Very low41.9Very low149 Ų149142.1 Ų142.191%0.91480%0.795SS**  trans-136118.516948.80000109.8
401G38.6Very low41.5Very low68 Ų68139.4 Ų139.470%0.70179%0.792SS**  trans125.6136.3165.100000114.3
402L39.3Very low41.6Very low145 Ų145141.1 Ų141.176%0.75979%0.794SS**  trans72.9114.9175.8-48.7163.7000113.1
403W43.8Very low41.5Very low223 Ų223143.8 Ų143.885%0.84580%0.796SS**  cis-141.9124.413.5-5781.4000107.4
404E39.4Very low41.5Very low168 Ų168144.3 Ų144.379%0.78580%0.8SS**  44.299.478.4-153.7165.7-147.300115.8
405L40.9Very low41.5Very low150 Ų150145.8 Ų145.879%0.78580%0.804SS**  trans27.7119.5142-67155.8000119.5
406L41.4Very low41.6Very low155 Ų155149.8 Ų149.881%0.81282%0.818SS**  -172.4177.8103.1-134.468.6000110.8
407P52.5Low41.9Very low114 Ų114149.9 Ų149.974%0.7482%0.82SS**  -115.1178.3-107.742.1-26.8000113.4
408D40.9Very low41.9Very low163 Ų163153.4 Ų153.487%0.87283%0.827SS**  trans-95.6160.2172-141.3-19.6000112.3
409A43.3Very low41.5Very low78 Ų78155.1 Ų155.165%0.64583%0.828SS**  trans85.5133.3167.800000121.1
410W39.8Very low41.8Very low330 Ų330158.5 Ų158.5100%1.2583%0.828SS**  trans85.40174.6-57.780000116.6

Retrieved 410 of 410 residues in 45.1 ms (Link to these results)

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