Z4YLV8_MOUSE Loading...

Mitogen-activated protein kinase 7

AlphaFold DB , UniProt , Accession Z4YLV8, Species MOUSE (Mus musculus, Mouse), Gene Mapk7, Length 203 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1A76.4Confident93.5Very high116 Ų116115.4 Ų115.496%0.95958%0.581SS**  0-68.7000000111.6I3 E4 D5A1-I3 PolarHBondContact O-N 3.16Å; A1-E4 PolarHBondContact O-N 2.87Å; A1-D5 PolarHBondContact O-N 2.98Å; A1-D5 VanDerWaalsContact O-N 3.13Å
2E89.1Confident93.7Very high168 Ų168109.3 Ų109.379%0.78557%0.57SS**Hα-helixtrans-64.2-38.6-171.6-66.6176-164.600115.5E4 F6E2-E4 VanDerWaalsContact C-N 3.33Å; E2-E4 PolarHBondContact O-N 3.24Å; E2-F6 PolarHBondContact O-N 2.99Å; E2-F6 VanDerWaalsContact O-N 3.08Å
3I93Very high93.8Very high131 Ų131108.7 Ų108.767%0.67257%0.566SS**Hα-helixtrans-67.2-38.7179-61.5172.4000110.6A1 F6 H7A1-I3 PolarHBondContact O-N 3.16Å; I3-F6 WeakPolarHBondContact O-CB 3.46Å; I3-F6 PolarHBondContact O-N 2.8Å; I3-H7 PolarHBondContact O-N 3.29Å; I3-H7 PolarHBondContact O-ND1 2.92Å
4E95.3Very high93.8Very high149 Ų149108 Ų10870%0.69655%0.552SS**Hα-helixtrans-68.9-41.6-178.7-167.2167.2-166.200111.1A1 E2 F6 H7 A8A1-E4 PolarHBondContact O-N 2.87Å; E2-E4 VanDerWaalsContact C-N 3.33Å; E2-E4 PolarHBondContact O-N 3.24Å; E4-F6 VanDerWaalsContact C-N 3.33Å; E4-F6 PolarHBondContact O-N 2.83Å; E4-H7 PolarHBondContact O-N 3.1Å; E4-H7 VanDerWaalsContact O-N 3.11Å; E4-A8 PolarHBondContact O-N 3.25Å
5D96.1Very high93.8Very high71 Ų71107.5 Ų107.538%0.3855%0.547SS..Hα-helixtrans-61.6-38173.5-178.731000112.3A1 H7 A8 R9A1-D5 PolarHBondContact O-N 2.98Å; A1-D5 VanDerWaalsContact O-N 3.13Å; D5-H7 PolarHBondContact O-N 3.45Å; D5-A8 PolarHBondContact O-N 3.27Å; D5-R9 VanDerWaalsContact CG-CZ 3.41Å; D5-R9 VanDerWaalsContact CG-NH2 3.29Å; D5-R9 WeakPolarHBondContact O-CB 3.36Å; D5-R9 PolarHBondContact O-N 3.02Å; D5-R9 IonicContact OD1-CZ 3.47Å; D5-R9 IonicContact OD1-NH1 3.36Å; D5-R9 PolarHBondContact OD1-NH1 2.62Å; D5-R9 VanDerWaalsContact OD1-NH1 3.16Å; D5-R9 IonicContact OD1-NH2 3.78Å; D5-R9 IonicContact OD2-CZ 2.72Å; D5-R9 IonicContact OD2-NH1 3.16Å; D5-R9 PolarHBondContact OD2-NH1 3.36Å; D5-R9 IonicContact OD2-NH2 2.66Å; D5-R9 PolarHBondContact OD2-NH2 2.86Å
6F96.6Very high93.8Very high116 Ų116111.4 Ų111.451%0.50956%0.562SS.*Hα-helixtrans-61.2-42.5171.6179.3-94.9000112.7E2 I3 E4 R10E2-F6 PolarHBondContact O-N 2.99Å; E2-F6 VanDerWaalsContact O-N 3.08Å; I3-F6 WeakPolarHBondContact O-CB 3.46Å; I3-F6 PolarHBondContact O-N 2.8Å; E4-F6 VanDerWaalsContact C-N 3.33Å; E4-F6 PolarHBondContact O-N 2.83Å; F6-R10 VanDerWaalsContact O-CB 3.25Å; F6-R10 WeakPolarHBondContact O-CB 3.28Å; F6-R10 PolarHBondContact O-N 3.17Å
7H97.3Very high93.7Very high98 Ų98111.3 Ų111.345%0.45456%0.562SS.*Hα-helixtrans-68.9-39.4177.9-7279.6000111.6I3 E4 D5 R10 E11I3-H7 PolarHBondContact O-N 3.29Å; I3-H7 PolarHBondContact O-ND1 2.92Å; E4-H7 PolarHBondContact O-N 3.1Å; E4-H7 VanDerWaalsContact O-N 3.11Å; D5-H7 PolarHBondContact O-N 3.45Å; H7-R10 PolarHBondContact O-N 2.82Å; H7-E11 WeakPolarHBondContact O-CB 3.32Å; H7-E11 PolarHBondContact O-N 3Å
8A95.9Very high93.5Very high63 Ų63114.6 Ų114.652%0.52157%0.566SS.*Hα-helixtrans-62.1-49.6176.100000111.6E4 D5 R10 E11 G12E4-A8 PolarHBondContact O-N 3.25Å; D5-A8 PolarHBondContact O-N 3.27Å; A8-R10 VanDerWaalsContact C-N 3.32Å; A8-R10 PolarHBondContact O-N 3.43Å; A8-E11 PolarHBondContact O-N 3.16Å; A8-G12 PolarHBondContact O-N 3.31Å
9R95.9Very high93.2Very high143 Ų143118.3 Ų118.354%0.5458%0.58SS.*Hα-helixtrans-58.7-43.4174.6-79-168.1-75-99.7-7.3112.2D5 G12 I13D5-R9 VanDerWaalsContact CG-CZ 3.41Å; D5-R9 VanDerWaalsContact CG-NH2 3.29Å; D5-R9 WeakPolarHBondContact O-CB 3.36Å; D5-R9 PolarHBondContact O-N 3.02Å; D5-R9 IonicContact OD1-CZ 3.47Å; D5-R9 IonicContact OD1-NH1 3.36Å; D5-R9 PolarHBondContact OD1-NH1 2.62Å; D5-R9 VanDerWaalsContact OD1-NH1 3.16Å; D5-R9 IonicContact OD1-NH2 3.78Å; D5-R9 IonicContact OD2-CZ 2.72Å; D5-R9 IonicContact OD2-NH1 3.16Å; D5-R9 PolarHBondContact OD2-NH1 3.36Å; D5-R9 IonicContact OD2-NH2 2.66Å; D5-R9 PolarHBondContact OD2-NH2 2.86Å; R9-G12 PolarHBondContact O-N 3.2Å; R9-I13 WeakPolarHBondContact O-CG1 3.16Å; R9-I13 PolarHBondContact O-N 3.29Å
10R96.8Very high92.6Very high135 Ų135121.3 Ų121.351%0.50959%0.592SS.*Hα-helixtrans-66.3-38.8179.8-172.3-179.3174.7-162.9-0.7112.4F6 H7 A8 I13 R14F6-R10 VanDerWaalsContact O-CB 3.25Å; F6-R10 WeakPolarHBondContact O-CB 3.28Å; F6-R10 PolarHBondContact O-N 3.17Å; H7-R10 PolarHBondContact O-N 2.82Å; A8-R10 VanDerWaalsContact C-N 3.32Å; A8-R10 PolarHBondContact O-N 3.43Å; R10-I13 PolarHBondContact O-N 2.99Å; R10-R14 PolarHBondContact O-N 3.48Å; R10-R14 VanDerWaalsContact O-N 3.14Å
11E95.9Very high91.9Very high79 Ų79120.9 Ų120.937%0.36960%0.599SS.*Hα-helixtrans-66.3-39.7173.7-172.866.6-92.300111.3H7 A8 I13 R14 Q15H7-E11 WeakPolarHBondContact O-CB 3.32Å; H7-E11 PolarHBondContact O-N 3Å; A8-E11 PolarHBondContact O-N 3.16Å; E11-I13 VanDerWaalsContact C-N 3.3Å; E11-I13 PolarHBondContact O-N 3.37Å; E11-R14 VanDerWaalsContact CD-NE 3.31Å; E11-R14 WeakPolarHBondContact O-CB 3.36Å; E11-R14 PolarHBondContact O-N 3.07Å; E11-R14 VanDerWaalsContact O-N 3.09Å; E11-R14 WeakPolarHBondContact OE1-CB 3.31Å; E11-R14 IonicContact OE1-CZ 3.52Å; E11-R14 IonicContact OE1-NE 3Å; E11-R14 PolarHBondContact OE1-NE 3.04Å; E11-R14 IonicContact OE1-NH2 2.81Å; E11-R14 IonicContact OE2-CZ 2.61Å; E11-R14 IonicContact OE2-NE 3.55Å; E11-R14 PolarHBondContact OE2-NE 2.98Å; E11-R14 IonicContact OE2-NH2 3.36Å; E11-R14 PolarHBondContact OE2-NH2 3.24Å; E11-Q15 HydrophobicContact CG-CG 4.43Å; E11-Q15 WeakPolarHBondContact O-CG 3.31Å; E11-Q15 PolarHBondContact O-N 3.04Å
12G95.9Very high91.2Very high43 Ų43120.7 Ų120.744%0.44359%0.591SS.*Hα-helixtrans-54.2-46.517400000112.4A8 R9 R14 Q15 Q16A8-G12 PolarHBondContact O-N 3.31Å; R9-G12 PolarHBondContact O-N 3.2Å; G12-R14 PolarHBondContact O-N 3.46Å; G12-Q15 PolarHBondContact O-N 3.33Å; G12-Q16 PolarHBondContact O-N 3.4Å
13I95.1Very high89.9Confident101 Ų101120 Ų12052%0.51859%0.591SS.*Hα-helixtrans-63.1-42.6176.8-62.8167.3000111.2R9 R10 E11 Q15 Q16 I17R9-I13 WeakPolarHBondContact O-CG1 3.16Å; R9-I13 PolarHBondContact O-N 3.29Å; R10-I13 PolarHBondContact O-N 2.99Å; E11-I13 VanDerWaalsContact C-N 3.3Å; E11-I13 PolarHBondContact O-N 3.37Å; I13-Q15 VanDerWaalsContact C-N 3.28Å; I13-Q15 PolarHBondContact O-N 2.86Å; I13-Q16 PolarHBondContact O-N 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.46Å; I13-I17 PolarHBondContact O-N 2.96Å; I13-I17 VanDerWaalsContact O-N 3.07Å
14R94.8Very high88.3Confident99 Ų99121.8 Ų121.837%0.37460%0.597SS.*Hα-helixtrans-58-42.4177.6-76.8-167.1-68.4-100.16.4111.8R10 E11 G12 R18R10-R14 PolarHBondContact O-N 3.48Å; R10-R14 VanDerWaalsContact O-N 3.14Å; E11-R14 VanDerWaalsContact CD-NE 3.31Å; E11-R14 WeakPolarHBondContact O-CB 3.36Å; E11-R14 PolarHBondContact O-N 3.07Å; E11-R14 VanDerWaalsContact O-N 3.09Å; E11-R14 WeakPolarHBondContact OE1-CB 3.31Å; E11-R14 IonicContact OE1-CZ 3.52Å; E11-R14 IonicContact OE1-NE 3Å; E11-R14 PolarHBondContact OE1-NE 3.04Å; E11-R14 IonicContact OE1-NH2 2.81Å; E11-R14 IonicContact OE2-CZ 2.61Å; E11-R14 IonicContact OE2-NE 3.55Å; E11-R14 PolarHBondContact OE2-NE 2.98Å; E11-R14 IonicContact OE2-NH2 3.36Å; E11-R14 PolarHBondContact OE2-NH2 3.24Å; G12-R14 PolarHBondContact O-N 3.46Å; R14-R18 WeakPolarHBondContact O-CB 3.48Å; R14-R18 PolarHBondContact O-N 3.13Å; R14-R18 VanDerWaalsContact O-N 3.13Å
15Q93.3Very high86.3Confident101 Ų101120.5 Ų120.547%0.47260%0.601SS.*Hα-helixtrans-72-36.9179.6-59.9-71.936.500111.7E11 G12 I13 I17 R18E11-Q15 HydrophobicContact CG-CG 4.43Å; E11-Q15 WeakPolarHBondContact O-CG 3.31Å; E11-Q15 PolarHBondContact O-N 3.04Å; G12-Q15 PolarHBondContact O-N 3.33Å; I13-Q15 VanDerWaalsContact C-N 3.28Å; I13-Q15 PolarHBondContact O-N 2.86Å; Q15-I17 VanDerWaalsContact C-N 3.35Å; Q15-I17 PolarHBondContact O-N 3.26Å; Q15-R18 VanDerWaalsContact O-CB 3.31Å; Q15-R18 WeakPolarHBondContact O-CB 3.37Å; Q15-R18 PolarHBondContact O-N 3.11Å
16Q93.8Very high83.7Confident169 Ų169123.1 Ų123.179%0.7962%0.62SS**Hα-helixtrans-62.6-40.1177.2-176.5178.7-17.400112.5G12 I13 R18G12-Q16 PolarHBondContact O-N 3.4Å; I13-Q16 PolarHBondContact O-N 3.3Å; Q16-R18 VanDerWaalsContact C-N 3.31Å
17I91.5Very high81.6Confident110 Ų110121.5 Ų121.556%0.56463%0.628SS**THydrogen-bonded Turntrans-91.14.2178.573.8-175.7000112.8I13 Q15 F19I13-I17 WeakPolarHBondContact O-CG1 3.46Å; I13-I17 PolarHBondContact O-N 2.96Å; I13-I17 VanDerWaalsContact O-N 3.07Å; Q15-I17 VanDerWaalsContact C-N 3.35Å; Q15-I17 PolarHBondContact O-N 3.26Å; I17-F19 VanDerWaalsContact O-CD2 3.31Å; I17-F19 WeakPolarHBondContact O-CD2 3.47Å; I17-F19 PolarHBondContact O-N 3.32Å
18R91.1Very high79.6Confident170 Ų170121.9 Ų121.964%0.64264%0.641SS**  trans-72.5104.8-179.4-172.7174.3-178.2177.4-0.8108.7R14 Q15 Q16 Q20R14-R18 WeakPolarHBondContact O-CB 3.48Å; R14-R18 PolarHBondContact O-N 3.13Å; R14-R18 VanDerWaalsContact O-N 3.13Å; Q15-R18 VanDerWaalsContact O-CB 3.31Å; Q15-R18 WeakPolarHBondContact O-CB 3.37Å; Q15-R18 PolarHBondContact O-N 3.11Å; Q16-R18 VanDerWaalsContact C-N 3.31Å; R18-Q20 PolarHBondContact O-N 3.18Å
19F88.1Confident77.5Confident186 Ų186127 Ų12782%0.81665%0.654SS**  trans-64.8125.6168.2-68.3-83.6000109.1I17 P21I17-F19 VanDerWaalsContact O-CD2 3.31Å; I17-F19 WeakPolarHBondContact O-CD2 3.47Å; I17-F19 PolarHBondContact O-N 3.32Å; F19-P21 WeakPolarHBondContact O-CD 3.5Å
20Q81.3Confident75.5Confident177 Ų177125.7 Ų125.783%0.82766%0.664SS**  trans-69.6126.4166.8-67.3-151.4-5.600107.8R18 S22R18-Q20 PolarHBondContact O-N 3.18Å; Q20-S22 VanDerWaalsContact C-N 3.29Å; Q20-S22 PolarHBondContact O-N 3.47Å
21P76.4Confident73.2Confident114 Ų114124.7 Ų124.774%0.7467%0.673SS**  trans-68.395.3170.528.1-31.1000107.5F19 L23F19-P21 WeakPolarHBondContact O-CD 3.5Å; P21-L23 PolarHBondContact O-N 3.3Å
22S63.1Low71.2Confident112 Ų112126.6 Ų126.678%0.78369%0.694SS**  trans-79.352.4168.168.40000109.6Q20Q20-S22 VanDerWaalsContact C-N 3.29Å; Q20-S22 PolarHBondContact O-N 3.47Å
23L60.6Low69.4Low153 Ų153129.5 Ų129.580%0.80171%0.705SS**  trans-113.495.7167.6-64.9-179.6000106.2P21P21-L23 PolarHBondContact O-N 3.3Å
24Q60.7Low67.7Low168 Ų168132.4 Ų132.479%0.78572%0.722SS**  trans-50.3127.7156-66.4-75.2-16.500106.4V26Q24-V26 VanDerWaalsContact C-N 3.25Å; Q24-V26 PolarHBondContact O-N 2.61Å
25P53.1Low66.3Low122 Ų122133.5 Ų133.579%0.79274%0.739SS**  trans-65.395.1170.126.6-30.8000107.2A27P25-A27 VanDerWaalsContact C-N 3.34Å; P25-A27 PolarHBondContact O-N 3.36Å
26V40.6Very low65Low127 Ų127136.3 Ų136.377%0.7775%0.752SS**  trans-64.8103.2165.4159.60000105.8Q24Q24-V26 VanDerWaalsContact C-N 3.25Å; Q24-V26 PolarHBondContact O-N 2.61Å
27A52.4Low64Low81 Ų81136.4 Ų136.467%0.66975%0.754SS**  trans-59.7139.9160.800000108.5P25P25-A27 VanDerWaalsContact C-N 3.34Å; P25-A27 PolarHBondContact O-N 3.36Å
28S55.8Low63Low106 Ų106136.3 Ų136.374%0.74176%0.761SS**  trans77.9117.4165.1-0.70000117.1
29E51.5Low61.7Low171 Ų171132.3 Ų132.380%0.79976%0.759SS**  trans-33.5143.8156.7-74.2-95.9140.100113.4
30P53.5Low60.4Low115 Ų115129.1 Ų129.175%0.74776%0.757SS**  -137.4136.193.433.2-18.7000114C32P30-C32 PolarHBondContact O-N 3.09Å
31V48.1Very low59.3Low115 Ų115132 Ų13270%0.69776%0.76SS**  trans15.6103.6146-178.10000114.7P33V31-P33 WeakPolarHBondContact O-CD 3.41Å
32C55Low58.3Low119 Ų119129.9 Ų129.980%0.80475%0.753SS**  trans-65.2123.8165.9-64.60000108.6P30 D34P30-C32 PolarHBondContact O-N 3.09Å; C32-D34 PolarHBondContact O-N 3.14Å
33P57.3Low58.2Low103 Ų103130.8 Ų130.867%0.66976%0.756SS**  trans-63136.116627.6-31.8000108.1V31 V35V31-P33 WeakPolarHBondContact O-CD 3.41Å; P33-V35 VanDerWaalsContact C-N 3.28Å; P33-V35 PolarHBondContact O-N 2.81Å
34D60.1Low57.8Low163 Ų163128.5 Ų128.587%0.87275%0.753SS**  trans-58.890.8171.3-174.231000108.8C32 E36C32-D34 PolarHBondContact O-N 3.14Å; D34-E36 PolarHBondContact O-N 2.72Å
35V65.1Low57.3Low121 Ų121123.2 Ų123.273%0.73374%0.743SS**  trans-79.2102.9171-1730000105.4P33 M37P33-V35 VanDerWaalsContact C-N 3.28Å; P33-V35 PolarHBondContact O-N 2.81Å; V35-M37 PolarHBondContact O-N 2.66Å
36E65.7Low57.3Low160 Ų160125.4 Ų125.475%0.74875%0.748SS**  trans-46.4113.8174.2-171.5-160.6141.300109.3D34 P38D34-E36 PolarHBondContact O-N 2.72Å; E36-P38 WeakPolarHBondContact O-CD 3.42Å
37M73.4Confident57.8Low171 Ų171124.7 Ų124.784%0.84275%0.748SS**  trans-77112.4177.9-157.9148.148.900106.4V35 S39V35-M37 PolarHBondContact O-N 2.66Å; M37-S39 PolarHBondContact O-N 3.16Å; M37-S39 VanDerWaalsContact O-N 3.1Å
38P70.6Confident58.1Low109 Ų109125.4 Ų125.471%0.70875%0.754SS**  trans-57.2124.5-172.120-30.6000109.4E36E36-P38 WeakPolarHBondContact O-CD 3.42Å
39S62.8Low58.4Low86 Ų86128.7 Ų128.760%0.60176%0.76SS**  trans-57.4131-175-126.80000110.1M37 W41 A42M37-S39 PolarHBondContact O-N 3.16Å; M37-S39 VanDerWaalsContact O-N 3.1Å; S39-W41 PolarHBondContact O-N 3.08Å; S39-A42 PolarHBondContact O-N 3.36Å
40P62.5Low59Low119 Ų119129.1 Ų129.177%0.77376%0.762SS**THydrogen-bonded Turntrans-67.11.7-174.625.5-33.2000114.1
41W56.4Low59.4Low236 Ų236128.7 Ų128.789%0.89476%0.761SS**THydrogen-bonded Turntrans-109.58.9-175.2-66.921000112.6S39 P43S39-W41 PolarHBondContact O-N 3.08Å; W41-P43 WeakPolarHBondContact O-CD 3.32Å
42A55.9Low60.5Low70 Ų70128.8 Ų128.858%0.57976%0.764SS**  trans-61.7123.1166.600000108.8S39 S44S39-A42 PolarHBondContact O-N 3.36Å; A42-S44 PolarHBondContact O-N 3.43Å
43P60.8Low60.9Low132 Ų132128.9 Ų128.986%0.85776%0.763SS**  trans-70.189.4170.4-3.419.7000106.9W41 G45W41-P43 WeakPolarHBondContact O-CD 3.32Å; P43-G45 PolarHBondContact O-N 3.37Å
44S52.5Low61Low105 Ų105129.9 Ų129.973%0.73477%0.77SS**  trans-70.4113.7166.9430000106.8A42A42-S44 PolarHBondContact O-N 3.43Å
45G50.8Low60.2Low56 Ų56126.4 Ų126.458%0.57776%0.764SS**  trans-56.8148.1175.400000111.6P43 C47P43-G45 PolarHBondContact O-N 3.37Å; G45-C47 PolarHBondContact O-N 3.46Å
46D53Low59.4Low169 Ų169128.2 Ų128.290%0.90477%0.769SS**  trans4.377.6161.7-64.8-59.2000116.2A48D46-A48 VanDerWaalsContact C-N 3.3Å; D46-A48 PolarHBondContact O-N 2.9Å
47C51.6Low59Low111 Ų111125.6 Ų125.675%0.7577%0.766SS**  trans-87.979.8157.8-65.30000107.5G45 M49G45-C47 PolarHBondContact O-N 3.46Å; C47-M49 PolarHBondContact O-N 3.13Å
48A58.6Low57.8Low97 Ų97123.6 Ų123.680%0.80277%0.765SS**  trans-66.581.5162.800000108.5D46 E50D46-A48 VanDerWaalsContact C-N 3.3Å; D46-A48 PolarHBondContact O-N 2.9Å; A48-E50 PolarHBondContact O-N 3.26Å; A48-E50 VanDerWaalsContact O-N 3.16Å
49M60.9Low56.3Low175 Ų175124 Ų12486%0.86277%0.769SS**  trans-80.195.5164-79.1-61.3-70.500108C47C47-M49 PolarHBondContact O-N 3.13Å
50E65.5Low55.3Low180 Ų180125.3 Ų125.384%0.84178%0.778SS**  trans-20.4126.4165.2-161.6167.211000114.8A48A48-E50 PolarHBondContact O-N 3.26Å; A48-E50 VanDerWaalsContact O-N 3.16Å
51S60.9Low54.3Low106 Ų106127.4 Ų127.474%0.74178%0.783SS**PPolyproline II helixtrans-67.5134.7170-780000110.3
52P70.6Confident54Low117 Ų117122 Ų12276%0.7678%0.778SS**PPolyproline II helixtrans-66.5140.3173.323.2-25.8000110.3
53P64.8Low53.4Low120 Ų120122.5 Ų122.578%0.77978%0.783SS**PPolyproline II helixtrans-68.3144.4-178.128.2-34.5000111.2
54P58.5Low53Low124 Ų124122.1 Ų122.181%0.80578%0.78SS**PPolyproline II helixtrans-84.5157.117033.9-31.1000111.7
55A44.3Very low52.6Low91 Ų91124.4 Ų124.475%0.75278%0.784SS**  trans102.8133.3166.300000114.3
56L48.4Very low52.3Low159 Ų159128.4 Ų128.483%0.83280%0.797SS**  cis-158166.929.1-83.4176.1000112.3
57P55.4Low52.1Low105 Ų105126.1 Ų126.168%0.68279%0.789SS**  trans-83.7160.9-176.235.9-35.3000113.5
58P48.7Very low51.7Low128 Ų128126.8 Ų126.883%0.83179%0.786SS**  trans-124.2125.2132.432.5-25.5000112.3
59C40Very low51.6Low117 Ų117129.9 Ų129.979%0.79179%0.788SS**  trans-52.2139.9163.7-55.70000111.2
60S42.1Very low51.3Low114 Ų114126.2 Ų126.280%0.79778%0.775SS**  trans-170.891.2138.3-76.90000108.6
61D41Very low50.4Low164 Ų164125.5 Ų125.588%0.87778%0.776SS**  trans-62.2140.3151.4-69.9-51.9000108.6
62P49Very low49.7Very low122 Ų122128.8 Ų128.879%0.79278%0.78SS**  -122.8114.5128.831.8-26.8000111.3
63A44.3Very low48.3Very low81 Ų81128.9 Ų128.967%0.66978%0.78SS**  trans30.8131.2151.300000120.5D65A63-D65 PolarHBondContact O-N 3.38Å
64P52.8Low47.2Very low123 Ų123126.7 Ų126.780%0.79977%0.772SS**  trans-68.8124.4162.129.6-31.2000109.6T66P64-T66 PolarHBondContact O-N 2.88Å
65D44.4Very low46.7Very low153 Ų153126.3 Ų126.382%0.81877%0.77SS**  trans-54.8129.3165.7-78.1-46.3000109.7A63 V67A63-D65 PolarHBondContact O-N 3.38Å; D65-V67 PolarHBondContact O-N 2.88Å
66T42.8Very low46.9Very low140 Ų140127.4 Ų127.486%0.85977%0.77SS**  trans-63.997.6178.15.90000108P64 D68P64-T66 PolarHBondContact O-N 2.88Å; T66-D68 PolarHBondContact O-N 3.11Å
67V50.6Low47Very low121 Ų121124.8 Ų124.873%0.73377%0.771SS**  trans-72.8106.2160.8-66.80000107.6D65 L69D65-V67 PolarHBondContact O-N 2.88Å; V67-L69 HydrophobicContact CG2-CD1 4.35Å; V67-L69 PolarHBondContact O-N 3.36Å
68D41.5Very low46.7Very low126 Ų126124.7 Ų124.767%0.67477%0.773SS**  trans-58.5100.7172.3-175.210.1000110.1T66 T70T66-D68 PolarHBondContact O-N 3.11Å; D68-T70 PolarHBondContact O-N 3.18Å; D68-T70 VanDerWaalsContact O-N 3.11Å; D68-T70 VanDerWaalsContact OD1-CB 3.28Å; D68-T70 WeakPolarHBondContact OD1-CB 3.46Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.25Å; D68-T70 PolarHBondContact OD1-N 3.01Å; D68-T70 PolarHBondContact OD1-OG1 3.5Å; D68-T70 PolarHBondContact OD2-OG1 2.73Å
69L58.1Low46.6Very low161 Ų161127 Ų12784%0.84377%0.772SS**  trans-79.943.2172.4-90.3118.2000111.6V67V67-L69 HydrophobicContact CG2-CD1 4.35Å; V67-L69 PolarHBondContact O-N 3.36Å
70T53.8Low47.1Very low98 Ų98130.3 Ų130.360%0.60178%0.781SS**  trans-114.455.2177.469.20000113.2D68D68-T70 PolarHBondContact O-N 3.18Å; D68-T70 VanDerWaalsContact O-N 3.11Å; D68-T70 VanDerWaalsContact OD1-CB 3.28Å; D68-T70 WeakPolarHBondContact OD1-CB 3.46Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.25Å; D68-T70 PolarHBondContact OD1-N 3.01Å; D68-T70 PolarHBondContact OD1-OG1 3.5Å; D68-T70 PolarHBondContact OD2-OG1 2.73Å
71L46.7Very low47.3Very low166 Ų166127.8 Ų127.887%0.86977%0.767SS**  trans-132.580.6150.5-73.1174.2000109.1P73L71-P73 VanDerWaalsContact O-CD 3.32Å; L71-P73 WeakPolarHBondContact O-CD 3.47Å
72Q46.9Very low47.7Very low175 Ų175125.5 Ų125.582%0.81876%0.761SS**PPolyproline II helixtrans-58.3125.1150.2-91.7-165.7-12.500108.7
73P41.3Very low47.8Very low118 Ų118124 Ų12477%0.76675%0.751SS**PPolyproline II helixtrans-85.6117.814221.4-5.4000107.3L71L71-P73 VanDerWaalsContact O-CD 3.32Å; L71-P73 WeakPolarHBondContact O-CD 3.47Å
74A40.2Very low48.2Very low74 Ų74130 Ų13061%0.61276%0.762SS**PPolyproline II helixtrans-48.7139.8172.600000111.4P76A74-P76 WeakPolarHBondContact O-CD 3.34Å
75P47.9Very low48.6Very low116 Ų116133.2 Ų133.275%0.75376%0.759SS**PPolyproline II helixtrans-71.3123.2171.228.9-31.3000108.9A77P75-A77 PolarHBondContact O-N 3.23Å
76P48.2Very low49.6Very low115 Ų115133.8 Ų133.875%0.74776%0.756SS**PPolyproline II helixtrans-68.5120.6158.527.8-28.7000107.2A74 S78A74-P76 WeakPolarHBondContact O-CD 3.34Å; P76-S78 PolarHBondContact O-N 2.78Å
77A50.3Low50.6Low103 Ų103130.6 Ų130.685%0.85175%0.751SS**  trans-52.3105.5166.200000109.3P75P75-A77 PolarHBondContact O-N 3.23Å
78S50.1Low51.7Low104 Ų104128.4 Ų128.473%0.72775%0.746SS**  trans-121.681.2167.8-650000107.5P76P76-S78 PolarHBondContact O-N 2.78Å
79E45.6Very low53.4Low176 Ų176126.7 Ų126.782%0.82274%0.736SS**  trans43.9104.4130.6-154.6171.9143.600116.9A81E79-A81 VanDerWaalsContact C-N 3.3Å; E79-A81 PolarHBondContact O-N 2.84Å
80L51.8Low55Low187 Ų187122.2 Ų122.298%0.97972%0.718SS**  trans-58.288.5160.6-78.4158.6000110.3
81A45.4Very low56.7Low61 Ų61123.7 Ų123.750%0.50472%0.722SS.*  trans-128.7119.2162.600000108.7E79 P83E79-A81 VanDerWaalsContact C-N 3.3Å; E79-A81 PolarHBondContact O-N 2.84Å; A81-P83 WeakPolarHBondContact O-CD 3.08Å; A81-P83 VanDerWaalsContact O-N 3.09Å
82P50.3Low58.8Low116 Ų116121.9 Ų121.975%0.75371%0.713SS**  trans-62.7115.9172.825.7-30.9000107.2K84P82-K84 PolarHBondContact O-N 3.16Å
83P51Low60.9Low89 Ų89116.5 Ų116.558%0.57869%0.693SS**  trans-72.9108.517834.3-35.3000105.8A81 R85A81-P83 WeakPolarHBondContact O-CD 3.08Å; A81-P83 VanDerWaalsContact O-N 3.09Å; P83-R85 HydrophobicContact CB-CG 3.72Å; P83-R85 HydrophobicContact CG-CG 4.27Å; P83-R85 PolarHBondContact O-N 3.37Å
84K53.5Low63.4Low207 Ų207114.1 Ų114.190%0.967%0.67SS**  trans-62.676.5165-68.8178.7179.8173.90107.7P82 E86P82-K84 PolarHBondContact O-N 3.16Å; K84-E86 VanDerWaalsContact C-N 3.31Å; K84-E86 PolarHBondContact O-N 2.78Å
85R60.9Low66Low192 Ų192113.1 Ų113.173%0.72566%0.662SS**  trans-97.461.5173.2-49.5-160.8-178.2173.43.1108.7P83 G87 A88P83-R85 HydrophobicContact CB-CG 3.72Å; P83-R85 HydrophobicContact CG-CG 4.27Å; P83-R85 PolarHBondContact O-N 3.37Å; R85-G87 PolarHBondContact O-N 2.98Å; R85-G87 VanDerWaalsContact O-N 3.16Å; R85-A88 HydrophobicContact CB-CB 4.2Å
86E63.7Low68.2Low165 Ų165110.2 Ų110.277%0.77165%0.648SS**THydrogen-bonded Turntrans-77.394.2164.3-158.787.3-131.100106K84 K94K84-E86 VanDerWaalsContact C-N 3.31Å; K84-E86 PolarHBondContact O-N 2.78Å; E86-K94 IonicContact OE1-NZ 2.67Å; E86-K94 PolarHBondContact OE1-NZ 2.84Å
87G64.1Low70.5Confident73 Ų73109.2 Ų109.275%0.75364%0.636SS**THydrogen-bonded Turntrans143.3-6.617800000116.4R85R85-G87 PolarHBondContact O-N 2.98Å; R85-G87 VanDerWaalsContact O-N 3.16Å
88A74.4Confident72.6Confident75 Ų75110.2 Ų110.262%0.6262%0.621SS**SBendtrans-83-16.9-177.800000114.4R85R85-A88 HydrophobicContact CB-CB 4.2Å
89I78.1Confident74.7Confident90 Ų90107.9 Ų107.946%0.46261%0.608SS.*SBendtrans-135.6141.6179.563.1174.9000109.9T93 K94 L97I89-T93 HydrophobicContact CB-CG2 4.39Å; I89-K94 HydrophobicContact CD1-CB 4.14Å; I89-K94 HydrophobicContact CD1-CG 4.45Å; I89-K94 HydrophobicContact CG1-CB 4.49Å; I89-L97 HydrophobicContact CD1-CD1 4.19Å
90S90.1Very high77.1Confident67 Ų67102.2 Ų102.247%0.46959%0.591SS.*  trans-63.3153.8177.6770000111.7N92 T93 K94S90-N92 PolarHBondContact O-N 3.16Å; S90-T93 WeakPolarHBondContact O-CB 3.42Å; S90-T93 PolarHBondContact O-N 3.21Å; S90-T93 PolarHBondContact OG-N 2.82Å; S90-T93 PolarHBondContact OG-OG1 2.86Å; S90-K94 PolarHBondContact O-N 2.73Å
91D91.3Very high79.1Confident129 Ų12999.1 Ų99.169%0.6958%0.575SS**Hα-helixtrans-58.2-32.9177.6-74.4-42.8000112.9K94 A95D91-K94 PolarHBondContact O-N 3.4Å; D91-A95 VanDerWaalsContact O-CB 3.31Å; D91-A95 WeakPolarHBondContact O-CB 3.32Å; D91-A95 PolarHBondContact O-N 3.19Å
92N90.1Very high81.4Confident127 Ų127100.6 Ų100.668%0.67957%0.574SS**Hα-helixtrans-65.1-43.5174.9-17313.7000111.5S90 A95 A96S90-N92 PolarHBondContact O-N 3.16Å; N92-A95 PolarHBondContact O-N 2.98Å; N92-A96 WeakPolarHBondContact O-CB 3.44Å; N92-A96 PolarHBondContact O-N 3.44Å
93T91.4Very high83.4Confident63 Ų63102.7 Ų102.739%0.38757%0.571SS.*Hα-helixtrans-64.5-42.1174.9-490000110.9I89 S90 A95 A96 L97I89-T93 HydrophobicContact CB-CG2 4.39Å; S90-T93 WeakPolarHBondContact O-CB 3.42Å; S90-T93 PolarHBondContact O-N 3.21Å; S90-T93 PolarHBondContact OG-N 2.82Å; S90-T93 PolarHBondContact OG-OG1 2.86Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 3.23Å; T93-A96 PolarHBondContact O-N 3.35Å; T93-L97 HydrophobicContact CG2-CD1 4.15Å; T93-L97 HydrophobicContact CG2-CG 4.45Å; T93-L97 WeakPolarHBondContact O-CB 3.47Å; T93-L97 VanDerWaalsContact O-CG 3.24Å; T93-L97 WeakPolarHBondContact O-CG 3.35Å; T93-L97 PolarHBondContact O-N 2.96Å
94K93.8Very high85.3Confident67 Ų67101 Ų10129%0.29156%0.561SS.*Hα-helixtrans-60.3-43.6175.6-166.1176.8-171.9179.30111E86 I89 S90 D91 K98E86-K94 IonicContact OE1-NZ 2.67Å; E86-K94 PolarHBondContact OE1-NZ 2.84Å; I89-K94 HydrophobicContact CD1-CB 4.14Å; I89-K94 HydrophobicContact CD1-CG 4.45Å; I89-K94 HydrophobicContact CG1-CB 4.49Å; S90-K94 PolarHBondContact O-N 2.73Å; D91-K94 PolarHBondContact O-N 3.4Å; K94-K98 WeakPolarHBondContact O-CB 3.23Å; K94-K98 VanDerWaalsContact O-CG 3.23Å; K94-K98 WeakPolarHBondContact O-CG 3.37Å; K94-K98 PolarHBondContact O-N 3.32Å
95A94.4Very high87.1Confident54 Ų5495.9 Ų95.945%0.44654%0.543SS..Hα-helixtrans-66.5-43.9176.500000112.3D91 N92 T93 L97 K98 A99D91-A95 VanDerWaalsContact O-CB 3.31Å; D91-A95 WeakPolarHBondContact O-CB 3.32Å; D91-A95 PolarHBondContact O-N 3.19Å; N92-A95 PolarHBondContact O-N 2.98Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 3.23Å; A95-L97 PolarHBondContact O-N 3.18Å; A95-K98 PolarHBondContact O-N 2.88Å; A95-A99 WeakPolarHBondContact O-CB 3.46Å; A95-A99 PolarHBondContact O-N 2.9Å
96A94.6Very high88.5Confident55 Ų5594.6 Ų94.646%0.45554%0.539SS..Hα-helixtrans-62-43.4177.900000111.9N92 T93 A99 A100N92-A96 WeakPolarHBondContact O-CB 3.44Å; N92-A96 PolarHBondContact O-N 3.44Å; T93-A96 PolarHBondContact O-N 3.35Å; A96-A99 PolarHBondContact O-N 3.17Å; A96-A100 WeakPolarHBondContact O-CB 3.4Å; A96-A100 PolarHBondContact O-N 2.95Å
97L95.8Very high89.2Confident94 Ų9489.1 Ų89.149%0.49252%0.519SS..Hα-helixtrans-65.1-44.8175.9-69.2173.5000111.7I89 T93 A95 A99 A100 L101I89-L97 HydrophobicContact CD1-CD1 4.19Å; T93-L97 HydrophobicContact CG2-CD1 4.15Å; T93-L97 HydrophobicContact CG2-CG 4.45Å; T93-L97 WeakPolarHBondContact O-CB 3.47Å; T93-L97 VanDerWaalsContact O-CG 3.24Å; T93-L97 WeakPolarHBondContact O-CG 3.35Å; T93-L97 PolarHBondContact O-N 2.96Å; A95-L97 PolarHBondContact O-N 3.18Å; L97-A99 VanDerWaalsContact C-N 3.32Å; L97-A99 PolarHBondContact O-N 2.84Å; L97-A100 PolarHBondContact O-N 3.13Å; L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 3.43Å
98K95.3Very high89.9Confident123 Ų12393.3 Ų93.354%0.53551%0.512SS..Hα-helixtrans-57.3-46.1173.6-76.7174.1177-176.70111.6K94 A95 L101 L102K94-K98 WeakPolarHBondContact O-CB 3.23Å; K94-K98 VanDerWaalsContact O-CG 3.23Å; K94-K98 WeakPolarHBondContact O-CG 3.37Å; K94-K98 PolarHBondContact O-N 3.32Å; A95-K98 PolarHBondContact O-N 2.88Å; K98-L101 PolarHBondContact O-N 3.42Å; K98-L102 WeakPolarHBondContact O-CB 3.5Å; K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.36Å; K98-L102 PolarHBondContact O-N 2.88Å
99A94.1Very high90Very high56 Ų5697 Ų9746%0.46352%0.52SS..Hα-helixtrans-64.6-41.2178.300000111.9A95 A96 L97 L102 K103A95-A99 WeakPolarHBondContact O-CB 3.46Å; A95-A99 PolarHBondContact O-N 2.9Å; A96-A99 PolarHBondContact O-N 3.17Å; L97-A99 VanDerWaalsContact C-N 3.32Å; L97-A99 PolarHBondContact O-N 2.84Å; A99-L102 PolarHBondContact O-N 3.28Å; A99-K103 WeakPolarHBondContact O-CB 3.29Å; A99-K103 PolarHBondContact O-N 3.29Å
100A94.8Very high89.6Confident57 Ų57103.1 Ų103.147%0.47154%0.538SS..Hα-helixtrans-61.9-44.3176.800000111.8A96 L97 K103 S104A96-A100 WeakPolarHBondContact O-CB 3.4Å; A96-A100 PolarHBondContact O-N 2.95Å; L97-A100 PolarHBondContact O-N 3.13Å; A100-K103 PolarHBondContact O-N 3.46Å; A100-S104 WeakPolarHBondContact O-CB 3.45Å; A100-S104 PolarHBondContact O-N 3.06Å
101L94.6Very high88.4Confident122 Ų122106.1 Ų106.164%0.63955%0.548SS*.Hα-helixtrans-63.9-46.9175.7-70.5171.9000112L97 K98 K103 S104 L105L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 3.43Å; K98-L101 PolarHBondContact O-N 3.42Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.46Å; L101-S104 PolarHBondContact O-N 2.75Å; L101-L105 PolarHBondContact O-N 3.15Å
102L93.9Very high86.7Confident91 Ų91102.2 Ų102.248%0.47654%0.539SS..Hα-helixtrans-62.8-36.8176.2-72173.8000112.2K98 A99 R106K98-L102 WeakPolarHBondContact O-CB 3.5Å; K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.36Å; K98-L102 PolarHBondContact O-N 2.88Å; A99-L102 PolarHBondContact O-N 3.28Å; L102-R106 VanDerWaalsContact O-CG 3.3Å; L102-R106 WeakPolarHBondContact O-CG 3.29Å; L102-R106 PolarHBondContact O-N 2.77Å
103K91.4Very high85.5Confident160 Ų160101.8 Ų101.870%0.69654%0.542SS*.Hα-helixtrans-69.3-39.9176.6-172.2172178.3179.50111.5A99 A100 L101 R106 S107A99-K103 WeakPolarHBondContact O-CB 3.29Å; A99-K103 PolarHBondContact O-N 3.29Å; A100-K103 PolarHBondContact O-N 3.46Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.46Å; K103-R106 PolarHBondContact O-N 3.22Å; K103-S107 PolarHBondContact O-N 2.83Å; K103-S107 PolarHBondContact O-OG 3.42Å
104S91.7Very high83.3Confident53 Ų53103.9 Ų103.937%0.37156%0.56SS.*Hα-helixtrans-63.2-42.2173.5-178.40000111.8A100 L101 R106 S107 R108A100-S104 WeakPolarHBondContact O-CB 3.45Å; A100-S104 PolarHBondContact O-N 3.06Å; L101-S104 PolarHBondContact O-N 2.75Å; S104-R106 VanDerWaalsContact C-N 3.35Å; S104-R106 PolarHBondContact O-N 3.05Å; S104-S107 PolarHBondContact O-N 3.2Å; S104-S107 PolarHBondContact O-OG 3.11Å; S104-R108 WeakPolarHBondContact O-CB 3.27Å; S104-R108 VanDerWaalsContact O-CG 3.29Å; S104-R108 WeakPolarHBondContact O-CG 3.29Å; S104-R108 PolarHBondContact O-N 3.09Å
105L91.1Very high80.6Confident100 Ų100104.7 Ų104.752%0.52458%0.579SS.*Hα-helixtrans-61.9-43.4174.6-120.280.9000111.9L101 R108 L109L101-L105 PolarHBondContact O-N 3.15Å; L105-R108 CarbonylContact O-C 3.6Å; L105-R108 PolarHBondContact O-N 3.4Å; L105-L109 PolarHBondContact O-N 3.35Å
106R89.2Confident78.7Confident166 Ų166107.6 Ų107.663%0.62659%0.593SS**Hα-helixtrans-68.4-38178.9-73.2174.4-177136.3-1112.6L102 K103 S104 L109 R110L102-R106 VanDerWaalsContact O-CG 3.3Å; L102-R106 WeakPolarHBondContact O-CG 3.29Å; L102-R106 PolarHBondContact O-N 2.77Å; K103-R106 PolarHBondContact O-N 3.22Å; S104-R106 VanDerWaalsContact C-N 3.35Å; S104-R106 PolarHBondContact O-N 3.05Å; R106-L109 PolarHBondContact O-N 3.4Å; R106-R110 VanDerWaalsContact O-CB 3.3Å; R106-R110 WeakPolarHBondContact O-CB 3.03Å; R106-R110 WeakPolarHBondContact O-CG 3.48Å; R106-R110 PolarHBondContact O-N 2.77Å
107S78.4Confident76.5Confident50 Ų50113.6 Ų113.635%0.3562%0.617SS.*Hα-helixtrans-66-40.8172.667.70000110.3K103 S104 L109 R110 D111K103-S107 PolarHBondContact O-N 2.83Å; K103-S107 PolarHBondContact O-OG 3.42Å; S104-S107 PolarHBondContact O-N 3.2Å; S104-S107 PolarHBondContact O-OG 3.11Å; S107-L109 VanDerWaalsContact C-N 3.26Å; S107-L109 PolarHBondContact O-N 3.41Å; S107-R110 PolarHBondContact O-N 3.38Å; S107-R110 VanDerWaalsContact O-N 3.15Å; S107-D111 WeakPolarHBondContact O-CA 3.25Å; S107-D111 VanDerWaalsContact O-CB 3.23Å; S107-D111 WeakPolarHBondContact O-CB 3.48Å; S107-D111 PolarHBondContact O-N 3.01Å
108R79.5Confident74.5Confident160 Ų160115.5 Ų115.560%0.60462%0.623SS**Hα-helixtrans-66.2-21.8173.4-68.1-142.5-55.9-1325.5114.7S104 L105 G112S104-R108 WeakPolarHBondContact O-CB 3.27Å; S104-R108 VanDerWaalsContact O-CG 3.29Å; S104-R108 WeakPolarHBondContact O-CG 3.29Å; S104-R108 PolarHBondContact O-N 3.09Å; L105-R108 CarbonylContact O-C 3.6Å; L105-R108 PolarHBondContact O-N 3.4Å; R108-G112 WeakPolarHBondContact O-CA 3.39Å
109L76.5Confident72.3Confident152 Ų152113.2 Ų113.280%0.79663%0.627SS**Hα-helixtrans-86.7-29.2171.6-114.269.4000112.6L105 R106 S107L105-L109 PolarHBondContact O-N 3.35Å; R106-L109 PolarHBondContact O-N 3.4Å; S107-L109 VanDerWaalsContact C-N 3.26Å; S107-L109 PolarHBondContact O-N 3.41Å
110R68.9Low70.5Confident220 Ų220116.4 Ų116.483%0.8364%0.643SS**Hα-helixtrans-78.9-34.6177.1-73.5-84.9171.5-150.9-2.7112.1R106 S107R106-R110 VanDerWaalsContact O-CB 3.3Å; R106-R110 WeakPolarHBondContact O-CB 3.03Å; R106-R110 WeakPolarHBondContact O-CG 3.48Å; R106-R110 PolarHBondContact O-N 2.77Å; S107-R110 PolarHBondContact O-N 3.38Å; S107-R110 VanDerWaalsContact O-N 3.15Å
111D65.3Low68.9Low130 Ų130119 Ų11970%0.69565%0.645SS**SBendtrans-113.228.4-173.9-50.3-41.2000111.3S107S107-D111 WeakPolarHBondContact O-CA 3.25Å; S107-D111 VanDerWaalsContact O-CB 3.23Å; S107-D111 WeakPolarHBondContact O-CB 3.48Å; S107-D111 PolarHBondContact O-N 3.01Å
112G55.5Low67.4Low47 Ų47118.2 Ų118.249%0.48565%0.648SS.*  trans-65.3157.9-153.600000119R108R108-G112 WeakPolarHBondContact O-CA 3.39Å
113P66.3Low65.6Low117 Ų117125.4 Ų125.476%0.7667%0.669SS**SBendtrans-88.1115.7168.132.5-27.8000111.5
114S43.8Very low64.4Low108 Ų108125.1 Ų125.176%0.75567%0.667SS**  trans81101.9158.9-170.70000119.5
115A38.2Very low63.4Low83 Ų83127.7 Ų127.769%0.68668%0.683SS**  trans-98.9136.2132.900000108.7
116P53.2Low62.1Low116 Ų116126.8 Ų126.875%0.75368%0.681SS**SBendtrans-71.6134.3164.4-7.324.1000109.7
117L49.7Very low61.8Low181 Ų181122.2 Ų122.295%0.94867%0.672SS**  trans61.367.7176.1-60.2170000115.3
118E52.3Low61.9Low134 Ų134123.5 Ų123.563%0.62669%0.685SS**  trans-106.1109.9147.7-155.6-88.1148.200106
119A49.9Very low62.3Low75 Ų75123.3 Ų123.362%0.6269%0.691SS**  trans-46.6141.9174.900000108.6E121A119-E121 PolarHBondContact O-N 2.88Å
120P56.9Low62.8Low122 Ų122121.1 Ų121.179%0.79268%0.677SS**  trans-50.6105.8-171.421.1-32.6000109.7P122P120-P122 WeakPolarHBondContact O-CD 3.19Å
121E60.6Low63.8Low112 Ų112116.6 Ų116.652%0.52366%0.66SS.*  trans-56.9109.4174.1-169.6176.9-177.500104.7A119 R123 K124A119-E121 PolarHBondContact O-N 2.88Å; E121-R123 PolarHBondContact O-N 3.49Å; E121-K124 WeakPolarHBondContact OE1-CE 3.49Å; E121-K124 IonicContact OE1-NZ 2.73Å; E121-K124 PolarHBondContact OE1-NZ 2.92Å
122P63.1Low65Low106 Ų106116.5 Ų116.569%0.68866%0.655SS**  trans-62.8111.4-173.523.8-30.3000104.8P120 K124P120-P122 WeakPolarHBondContact O-CD 3.19Å; P122-K124 PolarHBondContact O-N 2.96Å
123R56.8Low66.8Low242 Ų242123.3 Ų123.391%0.91367%0.666SS**  trans-43106.7-179-68.4179.1177.8177.6-0.7106.9E121 P125E121-R123 PolarHBondContact O-N 3.49Å; R123-P125 VanDerWaalsContact O-CD 3.32Å; R123-P125 WeakPolarHBondContact O-CD 3.44Å
124K65.5Low68Low153 Ų153123.2 Ų123.267%0.66566%0.656SS**  trans-56.8116.9-174.9-69.8168.8-171146.80105.1E121 P122 V126E121-K124 WeakPolarHBondContact OE1-CE 3.49Å; E121-K124 IonicContact OE1-NZ 2.73Å; E121-K124 PolarHBondContact OE1-NZ 2.92Å; P122-K124 PolarHBondContact O-N 2.96Å; K124-V126 PolarHBondContact O-N 3.43Å; K124-V126 VanDerWaalsContact O-N 3.16Å
125P70.6Confident70.5Confident108 Ų108126.3 Ų126.370%0.70165%0.651SS**  trans-56.1128.5-176.720.2-30.8000107.3R123 T127R123-P125 VanDerWaalsContact O-CD 3.32Å; R123-P125 WeakPolarHBondContact O-CD 3.44Å; P125-T127 WeakPolarHBondContact O-CG2 3.24Å; P125-T127 PolarHBondContact O-N 3.42Å
126V64.4Low73.1Confident80 Ų80129 Ų12949%0.48565%0.649SS.*  trans-51.3107.6-177.3174.60000108.2K124 E130 R131K124-V126 PolarHBondContact O-N 3.43Å; K124-V126 VanDerWaalsContact O-N 3.16Å; V126-E130 HydrophobicContact CG1-CB 4.29Å; V126-E130 HydrophobicContact CG1-CG 4.45Å; V126-R131 HydrophobicContact CG1-CG 4.36Å; V126-R131 PolarHBondContact O-NH2 3.26Å
127T81.5Confident75.1Confident70 Ų70129.1 Ų129.143%0.42964%0.64SS.*  trans-71.4150.9-173.659.90000108.8P125 Q129 E130 R131P125-T127 WeakPolarHBondContact O-CG2 3.24Å; P125-T127 PolarHBondContact O-N 3.42Å; T127-Q129 PolarHBondContact O-N 3.42Å; T127-Q129 VanDerWaalsContact O-N 3.13Å; T127-E130 WeakPolarHBondContact O-CB 3.33Å; T127-E130 PolarHBondContact O-N 3.27Å; T127-E130 WeakPolarHBondContact OG1-CB 3.35Å; T127-E130 PolarHBondContact OG1-N 3.4Å; T127-R131 PolarHBondContact O-N 3.32Å; T127-R131 VanDerWaalsContact O-N 3.17Å
128A81.6Confident77.3Confident77 Ų77126.2 Ų126.264%0.63662%0.62SS**Hα-helixtrans-54.4-32.5173.200000111.7R131 Q132A128-R131 PolarHBondContact O-N 2.94Å; A128-Q132 PolarHBondContact O-N 2.86Å
129Q88.3Confident79.5Confident157 Ų157128.3 Ų128.373%0.73462%0.622SS**Hα-helixtrans-64.1-39.5174-172.3179.811.900113T127 Q132 R133T127-Q129 PolarHBondContact O-N 3.42Å; T127-Q129 VanDerWaalsContact O-N 3.13Å; Q129-Q132 WeakPolarHBondContact O-CB 3.43Å; Q129-Q132 PolarHBondContact O-N 3.36Å; Q129-R133 WeakPolarHBondContact O-CB 3.37Å; Q129-R133 PolarHBondContact O-N 2.95Å
130E86.6Confident81.7Confident105 Ų105133.6 Ų133.649%0.49163%0.626SS.*Hα-helixtrans-67.2-42.1176.6-171.3171.9-165.500111.5V126 T127 Q132 R133 E134V126-E130 HydrophobicContact CG1-CB 4.29Å; V126-E130 HydrophobicContact CG1-CG 4.45Å; T127-E130 WeakPolarHBondContact O-CB 3.33Å; T127-E130 PolarHBondContact O-N 3.27Å; T127-E130 WeakPolarHBondContact OG1-CB 3.35Å; T127-E130 PolarHBondContact OG1-N 3.4Å; E130-Q132 PolarHBondContact O-N 2.86Å; E130-R133 PolarHBondContact O-N 2.94Å; E130-E134 WeakPolarHBondContact O-CB 3.13Å; E130-E134 PolarHBondContact O-N 3.36Å
131R89.1Confident83.6Confident126 Ų126134.6 Ų134.648%0.47561%0.614SS.*Hα-helixtrans-59.3-35.4169.8-102.5-174.2-72.5-103.8-4.1112.6V126 T127 A128 R135V126-R131 HydrophobicContact CG1-CG 4.36Å; V126-R131 PolarHBondContact O-NH2 3.26Å; T127-R131 PolarHBondContact O-N 3.32Å; T127-R131 VanDerWaalsContact O-N 3.17Å; A128-R131 PolarHBondContact O-N 2.94Å; R131-R135 WeakPolarHBondContact O-CG 3.15Å; R131-R135 PolarHBondContact O-N 3.05Å
132Q90.9Very high85.3Confident128 Ų128137.2 Ų137.260%0.59862%0.619SS**Hα-helixtrans-70.5-44.2176.7-165.2129.4-41.400111.5A128 Q129 E130 E134 R135 E136A128-Q132 PolarHBondContact O-N 2.86Å; Q129-Q132 WeakPolarHBondContact O-CB 3.43Å; Q129-Q132 PolarHBondContact O-N 3.36Å; E130-Q132 PolarHBondContact O-N 2.86Å; Q132-E134 VanDerWaalsContact C-N 3.27Å; Q132-E134 PolarHBondContact O-N 2.82Å; Q132-R135 WeakPolarHBondContact O-CB 3.3Å; Q132-R135 PolarHBondContact O-N 2.97Å; Q132-R135 VanDerWaalsContact O-N 3.16Å; Q132-E136 PolarHBondContact O-N 3.22Å
133R93.9Very high86.9Confident189 Ų189136.8 Ų136.871%0.71361%0.607SS**Hα-helixtrans-61.1-36.7174.7-165.8-179-174.7-156.92111.6Q129 E130 E136 E137Q129-R133 WeakPolarHBondContact O-CB 3.37Å; Q129-R133 PolarHBondContact O-N 2.95Å; E130-R133 PolarHBondContact O-N 2.94Å; R133-E136 PolarHBondContact O-N 3.06Å; R133-E137 VanDerWaalsContact O-CB 3.25Å; R133-E137 WeakPolarHBondContact O-CB 3.4Å; R133-E137 PolarHBondContact O-N 3.42Å
134E91.9Very high88.7Confident116 Ų116131.1 Ų131.154%0.54259%0.592SS.*Hα-helixtrans-63.6-42.1174.3-167.9-154.8134.100111.9E130 Q132 E136 E137 K138E130-E134 WeakPolarHBondContact O-CB 3.13Å; E130-E134 PolarHBondContact O-N 3.36Å; Q132-E134 VanDerWaalsContact C-N 3.27Å; Q132-E134 PolarHBondContact O-N 2.82Å; E134-E136 VanDerWaalsContact C-N 3.34Å; E134-E137 PolarHBondContact O-N 2.86Å; E134-K138 WeakPolarHBondContact O-CB 3.25Å; E134-K138 PolarHBondContact O-N 3.33Å
135R95Very high90.1Very high172 Ų172129.7 Ų129.765%0.64958%0.582SS**Hα-helixtrans-64.9-41.3176.8-69.8170.6-175.4176.90.2111.4R131 Q132 K138 R139R131-R135 WeakPolarHBondContact O-CG 3.15Å; R131-R135 PolarHBondContact O-N 3.05Å; Q132-R135 WeakPolarHBondContact O-CB 3.3Å; Q132-R135 PolarHBondContact O-N 2.97Å; Q132-R135 VanDerWaalsContact O-N 3.16Å; R135-K138 PolarHBondContact O-N 2.77Å; R135-R139 PolarHBondContact O-N 2.9Å; R135-R139 VanDerWaalsContact O-N 3.11Å
136E93.9Very high91.2Very high139 Ų139127.3 Ų127.365%0.6557%0.571SS**Hα-helixtrans-67.2-41.9175.5-168.4176.4-17700111.4Q132 R133 E134 K138 R139 R140Q132-E136 PolarHBondContact O-N 3.22Å; R133-E136 PolarHBondContact O-N 3.06Å; E134-E136 VanDerWaalsContact C-N 3.34Å; E136-K138 VanDerWaalsContact C-N 3.3Å; E136-K138 PolarHBondContact O-N 3.23Å; E136-R139 WeakPolarHBondContact O-CB 3.3Å; E136-R139 PolarHBondContact O-N 3.32Å; E136-R139 VanDerWaalsContact O-N 3.09Å; E136-R140 WeakPolarHBondContact O-CB 3.3Å; E136-R140 PolarHBondContact O-N 2.82Å
137E94.1Very high92.7Very high120 Ų120129.9 Ų129.956%0.56158%0.576SS**Hα-helixtrans-62.2-38.9174.9-170.1-176.4171.100111.1R133 E134 R139 R140 R141R133-E137 VanDerWaalsContact O-CB 3.25Å; R133-E137 WeakPolarHBondContact O-CB 3.4Å; R133-E137 PolarHBondContact O-N 3.42Å; E134-E137 PolarHBondContact O-N 2.86Å; E137-R139 VanDerWaalsContact C-N 3.32Å; E137-R139 PolarHBondContact O-N 3.26Å; E137-R140 PolarHBondContact O-N 3.08Å; E137-R141 VanDerWaalsContact O-CB 3.27Å; E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 PolarHBondContact O-N 3.18Å
138K97Very high93.3Very high120 Ų120132.3 Ų132.352%0.52258%0.583SS.*Hα-helixtrans-61.8-39.5173.7-168.7174.2-174.6172.70111.8E134 R135 E136 R142E134-K138 WeakPolarHBondContact O-CB 3.25Å; E134-K138 PolarHBondContact O-N 3.33Å; R135-K138 PolarHBondContact O-N 2.77Å; E136-K138 VanDerWaalsContact C-N 3.3Å; E136-K138 PolarHBondContact O-N 3.23Å; K138-R142 VanDerWaalsContact O-CG 3.29Å; K138-R142 WeakPolarHBondContact O-CG 3.49Å; K138-R142 PolarHBondContact O-N 2.73Å
139R97.1Very high93.9Very high178 Ų178138 Ų13867%0.67259%0.587SS**Hα-helixtrans-66.3-44.7173.5-169179.4-175.6-179.30.6111R135 E136 E137 R142 Q143R135-R139 PolarHBondContact O-N 2.9Å; R135-R139 VanDerWaalsContact O-N 3.11Å; E136-R139 WeakPolarHBondContact O-CB 3.3Å; E136-R139 PolarHBondContact O-N 3.32Å; E136-R139 VanDerWaalsContact O-N 3.09Å; E137-R139 VanDerWaalsContact C-N 3.32Å; E137-R139 PolarHBondContact O-N 3.26Å; R139-R142 PolarHBondContact O-N 3.42Å; R139-Q143 PolarHBondContact O-N 3.21Å; R139-Q143 VanDerWaalsContact O-N 3.08Å
140R96.9Very high94.1Very high185 Ų185136.7 Ų136.770%0.69858%0.582SS**Hα-helixtrans-61.5-46177.9-168.9-176.8-177.3-152.61.2111.8E136 E137 R142 Q143 E144E136-R140 WeakPolarHBondContact O-CB 3.3Å; E136-R140 PolarHBondContact O-N 2.82Å; E137-R140 PolarHBondContact O-N 3.08Å; R140-R142 VanDerWaalsContact C-N 3.32Å; R140-R142 PolarHBondContact O-N 3.16Å; R140-Q143 WeakPolarHBondContact O-CB 3.43Å; R140-Q143 PolarHBondContact O-N 2.92Å; R140-E144 WeakPolarHBondContact O-CB 3.42Å; R140-E144 PolarHBondContact O-N 3.45Å
141R96.6Very high94.5Very high143 Ų143138.7 Ų138.754%0.5459%0.588SS.*Hα-helixtrans-64.5-34.5178.9-168.7173.9-174.7-153.82.5112.6E137 R145E137-R141 VanDerWaalsContact O-CB 3.27Å; E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 PolarHBondContact O-N 3.18Å; R141-R145 VanDerWaalsContact NH2-NH2 3.18Å; R141-R145 VanDerWaalsContact O-CG 3.29Å; R141-R145 WeakPolarHBondContact O-CG 3.31Å; R141-R145 PolarHBondContact O-N 2.95Å
142R96.4Very high94.8Very high168 Ų168139.6 Ų139.663%0.63459%0.592SS**Hα-helixtrans-66.4-45.7172.3-73.6172.4179.6-171.2-1.6111.4K138 R139 R140 E144 R145 A146K138-R142 VanDerWaalsContact O-CG 3.29Å; K138-R142 WeakPolarHBondContact O-CG 3.49Å; K138-R142 PolarHBondContact O-N 2.73Å; R139-R142 PolarHBondContact O-N 3.42Å; R140-R142 VanDerWaalsContact C-N 3.32Å; R140-R142 PolarHBondContact O-N 3.16Å; R142-E144 VanDerWaalsContact C-N 3.33Å; R142-R145 PolarHBondContact O-N 3.24Å; R142-A146 PolarHBondContact O-N 3.01Å
143Q95.7Very high94.7Very high96 Ų96141.4 Ų141.445%0.44959%0.593SS.*Hα-helixtrans-62.8-40.4175.5-74.4-174.213.400112.1R139 R140 A146 K147R139-Q143 PolarHBondContact O-N 3.21Å; R139-Q143 VanDerWaalsContact O-N 3.08Å; R140-Q143 WeakPolarHBondContact O-CB 3.43Å; R140-Q143 PolarHBondContact O-N 2.92Å; Q143-A146 PolarHBondContact O-N 2.83Å; Q143-K147 WeakPolarHBondContact O-CB 3.5Å; Q143-K147 WeakPolarHBondContact O-CG 3.23Å; Q143-K147 PolarHBondContact O-N 3.02Å
144E94.9Very high94.6Very high124 Ų124137.2 Ų137.258%0.57958%0.582SS**Hα-helixtrans-63.1-47.5178-172.5-178.6177.500111.4R140 R142 A146 K147 E148R140-E144 WeakPolarHBondContact O-CB 3.42Å; R140-E144 PolarHBondContact O-N 3.45Å; R142-E144 VanDerWaalsContact C-N 3.33Å; E144-A146 VanDerWaalsContact C-N 3.26Å; E144-A146 PolarHBondContact O-N 3.32Å; E144-K147 PolarHBondContact O-N 3.36Å; E144-E148 VanDerWaalsContact O-CB 3.3Å; E144-E148 WeakPolarHBondContact O-CB 3.31Å; E144-E148 PolarHBondContact O-N 3.32Å
145R95.4Very high94.4Very high123 Ų123137.8 Ų137.846%0.46459%0.585SS.*Hα-helixtrans-60.4-35.1174.6-72.9173.4-177.6-175.50112.7R141 R142 R149R141-R145 VanDerWaalsContact NH2-NH2 3.18Å; R141-R145 VanDerWaalsContact O-CG 3.29Å; R141-R145 WeakPolarHBondContact O-CG 3.31Å; R141-R145 PolarHBondContact O-N 2.95Å; R142-R145 PolarHBondContact O-N 3.24Å; R145-R149 VanDerWaalsContact O-CG 3.25Å; R145-R149 WeakPolarHBondContact O-CG 3.36Å; R145-R149 PolarHBondContact O-N 3.17Å
146A94.4Very high94.1Very high58 Ų58136.9 Ų136.948%0.47958%0.581SS.*Hα-helixtrans-67.6-48.4175.800000111.2R142 Q143 E144 E148 R149 E150R142-A146 PolarHBondContact O-N 3.01Å; Q143-A146 PolarHBondContact O-N 2.83Å; E144-A146 VanDerWaalsContact C-N 3.26Å; E144-A146 PolarHBondContact O-N 3.32Å; A146-E148 VanDerWaalsContact C-N 3.3Å; A146-E148 PolarHBondContact O-N 3.33Å; A146-R149 PolarHBondContact O-N 3.09Å; A146-E150 PolarHBondContact O-N 3.49Å
147K95Very high93.7Very high134 Ų134133.8 Ų133.858%0.58357%0.567SS**Hα-helixtrans-64.7-32.8176.5-71.5-179.2178-176.80112.6Q143 E144 K151Q143-K147 WeakPolarHBondContact O-CB 3.5Å; Q143-K147 WeakPolarHBondContact O-CG 3.23Å; Q143-K147 PolarHBondContact O-N 3.02Å; E144-K147 PolarHBondContact O-N 3.36Å; K147-K151 VanDerWaalsContact O-CB 3.27Å; K147-K151 WeakPolarHBondContact O-CB 3.29Å; K147-K151 PolarHBondContact O-N 3.08Å
148E94.2Very high93.2Very high121 Ų121136.8 Ų136.857%0.56557%0.573SS**Hα-helixtrans-65.7-45.9173.1-173.9-159.5163.500111E144 A146 E150 K151 R152E144-E148 VanDerWaalsContact O-CB 3.3Å; E144-E148 WeakPolarHBondContact O-CB 3.31Å; E144-E148 PolarHBondContact O-N 3.32Å; A146-E148 VanDerWaalsContact C-N 3.3Å; A146-E148 PolarHBondContact O-N 3.33Å; E148-E150 VanDerWaalsContact C-N 3.31Å; E148-E150 PolarHBondContact O-N 2.84Å; E148-K151 PolarHBondContact O-N 2.85Å; E148-R152 VanDerWaalsContact O-CB 3.22Å; E148-R152 WeakPolarHBondContact O-CB 3.22Å; E148-R152 PolarHBondContact O-N 2.85Å
149R95.4Very high92.6Very high195 Ų195138.5 Ų138.574%0.73658%0.58SS**Hα-helixtrans-61.2-41.7176.1-75173.2178.5-164.6-1.6111.6R145 A146 R153R145-R149 VanDerWaalsContact O-CG 3.25Å; R145-R149 WeakPolarHBondContact O-CG 3.36Å; R145-R149 PolarHBondContact O-N 3.17Å; A146-R149 PolarHBondContact O-N 3.09Å; R149-R153 WeakPolarHBondContact O-CB 3.45Å; R149-R153 PolarHBondContact O-N 3.34Å
150E92.6Very high91.6Very high131 Ų131137 Ų13761%0.61258%0.581SS**Hα-helixtrans-63.8-51175-176.7-178-166.600111.5A146 E148 R152 R153 Q154A146-E150 PolarHBondContact O-N 3.49Å; E148-E150 VanDerWaalsContact C-N 3.31Å; E148-E150 PolarHBondContact O-N 2.84Å; E150-R152 VanDerWaalsContact C-N 3.31Å; E150-R152 PolarHBondContact O-N 2.84Å; E150-R153 WeakPolarHBondContact O-CB 3.34Å; E150-R153 PolarHBondContact O-N 3.37Å; E150-R153 VanDerWaalsContact O-N 3.08Å; E150-Q154 PolarHBondContact O-N 2.95Å
151K94.8Very high90.3Very high146 Ų146138.7 Ų138.764%0.63559%0.587SS**Hα-helixtrans-59.8-41.8178.7-173.5179.1-179.8-1770111.8K147 E148 R153 Q154 E155K147-K151 VanDerWaalsContact O-CB 3.27Å; K147-K151 WeakPolarHBondContact O-CB 3.29Å; K147-K151 PolarHBondContact O-N 3.08Å; E148-K151 PolarHBondContact O-N 2.85Å; K151-R153 VanDerWaalsContact C-N 3.33Å; K151-R153 PolarHBondContact O-N 3.45Å; K151-Q154 PolarHBondContact O-N 3Å; K151-E155 WeakPolarHBondContact O-CB 3.41Å; K151-E155 PolarHBondContact O-N 3.35Å
152R93.8Very high88.6Confident146 Ų146135.1 Ų135.155%0.55160%0.595SS**Hα-helixtrans-65.4-36.3176.4-173.4179.8-179.3-152.83111.9E148 E150 R156E148-R152 VanDerWaalsContact O-CB 3.22Å; E148-R152 WeakPolarHBondContact O-CB 3.22Å; E148-R152 PolarHBondContact O-N 2.85Å; E150-R152 VanDerWaalsContact C-N 3.31Å; E150-R152 PolarHBondContact O-N 2.84Å; R152-R156 VanDerWaalsContact O-CG 3.29Å; R152-R156 WeakPolarHBondContact O-CG 3.29Å; R152-R156 PolarHBondContact O-N 2.83Å; R152-R156 VanDerWaalsContact O-N 3.09Å
153R90.2Very high86.6Confident165 Ų165130.6 Ų130.662%0.62359%0.593SS**Hα-helixtrans-67.8-46.3173.7-177.4-178.2167.5-150.1-7.4110.9R149 E150 K151 E155 R156 E157R149-R153 WeakPolarHBondContact O-CB 3.45Å; R149-R153 PolarHBondContact O-N 3.34Å; E150-R153 WeakPolarHBondContact O-CB 3.34Å; E150-R153 PolarHBondContact O-N 3.37Å; E150-R153 VanDerWaalsContact O-N 3.08Å; K151-R153 VanDerWaalsContact C-N 3.33Å; K151-R153 PolarHBondContact O-N 3.45Å; R153-E155 VanDerWaalsContact C-N 3.32Å; R153-E155 PolarHBondContact O-N 2.8Å; R153-R156 WeakPolarHBondContact O-CB 3.14Å; R153-R156 PolarHBondContact O-N 2.84Å; R153-E157 IonicContact CZ-OE1 3.2Å; R153-E157 IonicContact NE-OE1 2.95Å; R153-E157 PolarHBondContact NE-OE1 2.67Å; R153-E157 IonicContact NH2-OE1 2.8Å; R153-E157 PolarHBondContact NH2-OE1 2.92Å; R153-E157 PolarHBondContact O-N 2.84Å
154Q90.7Very high84.1Confident102 Ų102130.8 Ų130.848%0.47760%0.597SS.*Hα-helixtrans-63.4-38.4178.3-168.7-175.950.300112E150 K151 E157 R158E150-Q154 PolarHBondContact O-N 2.95Å; K151-Q154 PolarHBondContact O-N 3Å; Q154-E157 PolarHBondContact O-N 2.91Å; Q154-R158 WeakPolarHBondContact O-CB 3.27Å; Q154-R158 WeakPolarHBondContact O-CG 3.44Å; Q154-R158 PolarHBondContact O-N 3.31Å
155E87.8Confident82.2Confident128 Ų128131.3 Ų131.360%0.59861%0.611SS**Hα-helixtrans-64.6-41.3173.8-173.1-176.3165.700111.5K151 R153 R158 K159K151-E155 WeakPolarHBondContact O-CB 3.41Å; K151-E155 PolarHBondContact O-N 3.35Å; R153-E155 VanDerWaalsContact C-N 3.32Å; R153-E155 PolarHBondContact O-N 2.8Å; E155-R158 PolarHBondContact O-N 3.49Å; E155-K159 VanDerWaalsContact O-CB 3.29Å; E155-K159 WeakPolarHBondContact O-CB 3.39Å; E155-K159 PolarHBondContact O-N 3.18Å
156R89.1Confident80Confident152 Ų152127.9 Ų127.957%0.57462%0.615SS**Hα-helixtrans-60.9-46.6172.3-76.5174173.4-164.2-5.8111.8R152 R153 R158 K159 E160R152-R156 VanDerWaalsContact O-CG 3.29Å; R152-R156 WeakPolarHBondContact O-CG 3.29Å; R152-R156 PolarHBondContact O-N 2.83Å; R152-R156 VanDerWaalsContact O-N 3.09Å; R153-R156 WeakPolarHBondContact O-CB 3.14Å; R153-R156 PolarHBondContact O-N 2.84Å; R156-R158 PolarHBondContact O-N 2.83Å; R156-K159 PolarHBondContact O-N 3.25Å; R156-E160 WeakPolarHBondContact O-CB 3.32Å; R156-E160 PolarHBondContact O-N 3.49Å
157E86.1Confident77.5Confident75 Ų75132 Ų13235%0.3563%0.628SS.*Hα-helixtrans-64.6-38.5177.5-73.1176.3179.700112.2R153 Q154 E160 R161R153-E157 IonicContact CZ-OE1 3.2Å; R153-E157 IonicContact NE-OE1 2.95Å; R153-E157 PolarHBondContact NE-OE1 2.67Å; R153-E157 IonicContact NH2-OE1 2.8Å; R153-E157 PolarHBondContact NH2-OE1 2.92Å; R153-E157 PolarHBondContact O-N 2.84Å; Q154-E157 PolarHBondContact O-N 2.91Å; E157-E160 PolarHBondContact O-N 3.41Å; E157-R161 WeakPolarHBondContact O-CB 3.33Å; E157-R161 WeakPolarHBondContact O-CG 3.35Å; E157-R161 PolarHBondContact O-N 3.39Å
158R83.4Confident75Confident182 Ų182131.2 Ų131.269%0.68763%0.634SS**Hα-helixtrans-66.8-38.7173.6-77.4179173.6-133.60.1112.2Q154 E155 R156 G162Q154-R158 WeakPolarHBondContact O-CB 3.27Å; Q154-R158 WeakPolarHBondContact O-CG 3.44Å; Q154-R158 PolarHBondContact O-N 3.31Å; E155-R158 PolarHBondContact O-N 3.49Å; R156-R158 PolarHBondContact O-N 2.83Å; R158-G162 PolarHBondContact O-N 2.88Å
159K83.5Confident72.6Confident156 Ų156131.5 Ų131.568%0.67865%0.647SS**Hα-helixtrans-68-41.5175.8-174.8114.9179.1-177.60111E155 R156 G162 A163E155-K159 VanDerWaalsContact O-CB 3.29Å; E155-K159 WeakPolarHBondContact O-CB 3.39Å; E155-K159 PolarHBondContact O-N 3.18Å; R156-K159 PolarHBondContact O-N 3.25Å; K159-G162 CarbonylContact O-C 3.55Å; K159-G162 PolarHBondContact O-N 2.85Å; K159-A163 WeakPolarHBondContact O-CB 3.37Å; K159-A163 PolarHBondContact O-N 3.43Å
160E76.7Confident69.7Low147 Ų147129.4 Ų129.469%0.68765%0.646SS**Hα-helixtrans-65.6-44.4177-171.5175178.100111.4R156 E157 G162 A163R156-E160 WeakPolarHBondContact O-CB 3.32Å; R156-E160 PolarHBondContact O-N 3.49Å; E157-E160 PolarHBondContact O-N 3.41Å; E160-G162 PolarHBondContact O-N 2.84Å; E160-A163 PolarHBondContact O-N 2.65Å
161R70.2Confident67.7Low221 Ų221129 Ų12983%0.83465%0.654SS**Hα-helixtrans-66.7-21.2171.4-72-178.7179.5-82.90.3114.1E157E157-R161 WeakPolarHBondContact O-CB 3.33Å; E157-R161 WeakPolarHBondContact O-CG 3.35Å; E157-R161 PolarHBondContact O-N 3.39Å
162G59.3Low65Low68 Ų68126.4 Ų126.470%0.70166%0.655SS**Hα-helixtrans-96.9-7.6177.800000114.8R158 K159 E160R158-G162 PolarHBondContact O-N 2.88Å; K159-G162 CarbonylContact O-C 3.55Å; K159-G162 PolarHBondContact O-N 2.85Å; E160-G162 PolarHBondContact O-N 2.84Å
163A55.1Low62.9Low72 Ų72126.5 Ų126.560%0.59567%0.672SS**SBendtrans-103.29.3-177.500000113.3K159 E160 P165K159-A163 WeakPolarHBondContact O-CB 3.37Å; K159-A163 PolarHBondContact O-N 3.43Å; E160-A163 PolarHBondContact O-N 2.65Å; A163-P165 WeakPolarHBondContact O-CD 3.24Å
164D43.7Very low60.6Low100 Ų100123.3 Ų123.354%0.53567%0.674SS.*  trans-114.790.7178.3-154.9-15.8000110.5G166D164-G166 PolarHBondContact O-N 2.75Å; D164-G166 VanDerWaalsContact O-N 3.08Å
165P53.7Low59Low135 Ų135127.9 Ų127.988%0.87770%0.696SS**THydrogen-bonded Turntrans-80.570.3165.934.5-30.9000108.1A163A163-P165 WeakPolarHBondContact O-CD 3.24Å
166G49.3Very low57.4Low52 Ų52126.4 Ų126.454%0.53670%0.7SS.*THydrogen-bonded Turntrans-158.6-19.3-168.800000119.2D164D164-G166 PolarHBondContact O-N 2.75Å; D164-G166 VanDerWaalsContact O-N 3.08Å
167L43.4Very low56.4Low143 Ų143123.8 Ų123.875%0.74970%0.702SS**  trans-129.2100.8-177.2-66.2172.8000111.2
168T42.3Very low56.1Low118 Ų118124.4 Ų124.472%0.72471%0.708SS**  trans-38.5126.8162.447.10000111.4Q170T168-Q170 VanDerWaalsContact C-N 3.34Å; T168-Q170 PolarHBondContact O-N 3.01Å
169P43.6Very low56.1Low127 Ų127120.8 Ų120.883%0.82571%0.706SS**  trans-74.396.5164.230.1-27.5000107.1
170Q35.5Very low56.1Low152 Ų152118.6 Ų118.671%0.7170%0.701SS**  trans-54.7129.7160.7-85.9-95.3-24.700108.2T168 S172T168-Q170 VanDerWaalsContact C-N 3.34Å; T168-Q170 PolarHBondContact O-N 3.01Å; Q170-S172 PolarHBondContact O-N 2.84Å
171P49.1Very low56.5Low123 Ų123115.7 Ų115.780%0.79969%0.69SS**  trans-75.873.7169.932.5-32.8000108.5T173P171-T173 PolarHBondContact O-N 3.33Å
172S39Very low57.2Low91 Ų91107.8 Ų107.864%0.63667%0.666SS**  trans-84.999.9167.557.20000108.2Q170 S174Q170-S172 PolarHBondContact O-N 2.84Å; S172-S174 PolarHBondContact O-N 2.86Å
173T48.9Very low58.3Low148 Ų148108.1 Ų108.191%0.90866%0.655SS**  trans-55.198.6159.248.60000108.6P171P171-T173 PolarHBondContact O-N 3.33Å
174S42.8Very low59.8Low97 Ų97109.3 Ų109.368%0.67865%0.648SS**  trans-139.2114.9172170.10000106.9S172 S176S172-S174 PolarHBondContact O-N 2.86Å; S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 3.08Å
175E57.1Low61.7Low198 Ų198110.1 Ų110.193%0.92565%0.649SS**  trans-59.781.5-171.8-61.3-179.9112.900112.9
176S54.6Low62.9Low98 Ų98109.5 Ų109.569%0.68564%0.637SS**  trans-116.9108.3161.7-67.80000106.7S174 D178S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 3.08Å; S176-D178 PolarHBondContact O-N 2.97Å
177P66.8Low64.3Low97 Ų97111.6 Ų111.663%0.6364%0.644SS**  trans-63.3128.3-17929.8-35.3000107.5V179 V182P177-V179 PolarHBondContact O-N 3.15Å; P177-V182 HydrophobicContact CB-CG2 3.54Å; P177-V182 HydrophobicContact CG-CG2 3.91Å
178D81.2Confident65.9Low87 Ų87112.5 Ų112.547%0.46564%0.642SS.*  trans-51.1115.8178.1171.311.2000108.3S176 N180 L181 V182S176-D178 PolarHBondContact O-N 2.97Å; D178-N180 PolarHBondContact O-N 2.95Å; D178-N180 VanDerWaalsContact O-N 3.09Å; D178-N180 WeakPolarHBondContact OD1-CB 3.39Å; D178-N180 PolarHBondContact OD1-N 3.34Å; D178-N180 PolarHBondContact OD1-ND2 2.98Å; D178-L181 HydrophobicContact CB-CB 3.81Å; D178-L181 CarbonylContact O-C 3.59Å; D178-L181 WeakPolarHBondContact O-CA 3.06Å; D178-L181 WeakPolarHBondContact O-CB 3.35Å; D178-L181 PolarHBondContact O-N 2.83Å; D178-V182 PolarHBondContact O-N 2.88Å
179V82.9Confident67.3Low106 Ų106111 Ų11164%0.64264%0.636SS**Hα-helixtrans-56-32-176.1-178.50000110.2P177 T183P177-V179 PolarHBondContact O-N 3.15Å; V179-T183 VanDerWaalsContact O-CB 3.24Å; V179-T183 WeakPolarHBondContact O-CB 3.32Å; V179-T183 PolarHBondContact O-N 2.82Å; V179-T183 PolarHBondContact O-OG1 2.95Å
180N82.4Confident68.4Low110 Ų110113 Ų11359%0.58863%0.634SS**Hα-helixtrans-70.1-37.4174.4-65.4-66.6000112.3D178 Q184D178-N180 PolarHBondContact O-N 2.95Å; D178-N180 VanDerWaalsContact O-N 3.09Å; D178-N180 WeakPolarHBondContact OD1-CB 3.39Å; D178-N180 PolarHBondContact OD1-N 3.34Å; D178-N180 PolarHBondContact OD1-ND2 2.98Å; N180-Q184 VanDerWaalsContact O-CB 3.28Å; N180-Q184 WeakPolarHBondContact O-CB 3.28Å; N180-Q184 WeakPolarHBondContact O-CG 3.2Å; N180-Q184 PolarHBondContact O-N 3.09Å; N180-Q184 PolarHBondContact O-NE2 3.21Å; N180-Q184 VanDerWaalsContact O-NE2 3.15Å
181L85.6Confident69.7Low87 Ų87111.4 Ų111.446%0.45563%0.634SS.*Hα-helixtrans-68.4-43175.2-175.461.4000111D178 Q184 Q185D178-L181 HydrophobicContact CB-CB 3.81Å; D178-L181 CarbonylContact O-C 3.59Å; D178-L181 WeakPolarHBondContact O-CA 3.06Å; D178-L181 WeakPolarHBondContact O-CB 3.35Å; D178-L181 PolarHBondContact O-N 2.83Å; L181-Q184 PolarHBondContact O-N 2.99Å; L181-Q185 WeakPolarHBondContact O-CB 3.38Å; L181-Q185 WeakPolarHBondContact O-CG 3.32Å; L181-Q185 PolarHBondContact O-N 2.87Å
182V84.8Confident70.4Confident54 Ų54113.7 Ų113.733%0.32764%0.635SS.*Hα-helixtrans-63.6-45.8175.6178.90000111P177 D178 Q184 Q185 L186P177-V182 HydrophobicContact CB-CG2 3.54Å; P177-V182 HydrophobicContact CG-CG2 3.91Å; D178-V182 PolarHBondContact O-N 2.88Å; V182-Q184 VanDerWaalsContact C-N 3.33Å; V182-Q184 PolarHBondContact O-N 3.17Å; V182-Q185 PolarHBondContact O-N 3.44Å; V182-Q185 VanDerWaalsContact O-N 3.17Å; V182-L186 HydrophobicContact CG1-CD1 4.17Å; V182-L186 HydrophobicContact CG1-CG 4.49Å; V182-L186 WeakPolarHBondContact O-CG 3.41Å; V182-L186 PolarHBondContact O-N 2.86Å
183T82.9Confident71.7Confident75 Ų75115.3 Ų115.346%0.4664%0.636SS.*Hα-helixtrans-61.5-42.6177-56.10000111V179 L186 S187V179-T183 VanDerWaalsContact O-CB 3.24Å; V179-T183 WeakPolarHBondContact O-CB 3.32Å; V179-T183 PolarHBondContact O-N 2.82Å; V179-T183 PolarHBondContact O-OG1 2.95Å; T183-L186 PolarHBondContact O-N 3.37Å; T183-S187 PolarHBondContact O-N 2.81Å; T183-S187 PolarHBondContact O-OG 3.44Å
184Q85.4Confident72.4Confident98 Ų98113.2 Ų113.246%0.45863%0.625SS.*Hα-helixtrans-65.7-38.8174.2-78.1177.887.200112.6N180 L181 V182 S187 K188N180-Q184 VanDerWaalsContact O-CB 3.28Å; N180-Q184 WeakPolarHBondContact O-CB 3.28Å; N180-Q184 WeakPolarHBondContact O-CG 3.2Å; N180-Q184 PolarHBondContact O-N 3.09Å; N180-Q184 PolarHBondContact O-NE2 3.21Å; N180-Q184 VanDerWaalsContact O-NE2 3.15Å; L181-Q184 PolarHBondContact O-N 2.99Å; V182-Q184 VanDerWaalsContact C-N 3.33Å; V182-Q184 PolarHBondContact O-N 3.17Å; Q184-S187 PolarHBondContact O-N 2.91Å; Q184-K188 WeakPolarHBondContact O-CB 3.35Å; Q184-K188 WeakPolarHBondContact O-CG 3.19Å; Q184-K188 PolarHBondContact O-N 3.41Å
185Q84.8Confident73.4Confident117 Ų117115.5 Ų115.555%0.54763%0.629SS.*Hα-helixtrans-64.4-40.7175.9-78.9-174.14400111.4L181 V182 K188 S189L181-Q185 WeakPolarHBondContact O-CB 3.38Å; L181-Q185 WeakPolarHBondContact O-CG 3.32Å; L181-Q185 PolarHBondContact O-N 2.87Å; V182-Q185 PolarHBondContact O-N 3.44Å; V182-Q185 VanDerWaalsContact O-N 3.17Å; Q185-K188 CarbonylContact O-C 3.44Å; Q185-K188 PolarHBondContact O-N 3.37Å; Q185-S189 WeakPolarHBondContact O-CB 3.36Å; Q185-S189 PolarHBondContact O-N 2.75Å
186L77.8Confident73.9Confident121 Ų121110.9 Ų110.963%0.63462%0.616SS**Hα-helixtrans-69.5-38175.2-67.2174000112.6V182 T183 K188 S189V182-L186 HydrophobicContact CG1-CD1 4.17Å; V182-L186 HydrophobicContact CG1-CG 4.49Å; V182-L186 WeakPolarHBondContact O-CG 3.41Å; V182-L186 PolarHBondContact O-N 2.86Å; T183-L186 PolarHBondContact O-N 3.37Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.3Å; L186-S189 CarbonylContact O-C 3.34Å; L186-S189 PolarHBondContact O-N 3.09Å
187S79.1Confident74.5Confident96 Ų96111.1 Ų111.167%0.67162%0.615SS**Hα-helixtrans-65.6-30172.1-74.20000113T183 Q184T183-S187 PolarHBondContact O-N 2.81Å; T183-S187 PolarHBondContact O-OG 3.44Å; Q184-S187 PolarHBondContact O-N 2.91Å
188K77.7Confident74.4Confident163 Ų163113.1 Ų113.171%0.70963%0.625SS**Hα-helixtrans-84.1-29.7175.8-71.2171.5-175179.70112.5Q184 Q185 L186 Q190Q184-K188 WeakPolarHBondContact O-CB 3.35Å; Q184-K188 WeakPolarHBondContact O-CG 3.19Å; Q184-K188 PolarHBondContact O-N 3.41Å; Q185-K188 CarbonylContact O-C 3.44Å; Q185-K188 PolarHBondContact O-N 3.37Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.3Å; K188-Q190 PolarHBondContact O-N 3.41Å; K188-Q190 VanDerWaalsContact O-N 3.09Å
189S71.8Confident73.3Confident85 Ų85118.1 Ų118.159%0.59464%0.643SS**  trans-84.156.5170-1680000108.9Q185 L186 V191Q185-S189 WeakPolarHBondContact O-CB 3.36Å; Q185-S189 PolarHBondContact O-N 2.75Å; L186-S189 CarbonylContact O-C 3.34Å; L186-S189 PolarHBondContact O-N 3.09Å; S189-V191 PolarHBondContact O-N 3.44Å
190Q66.1Low72.5Confident171 Ų171118.8 Ų118.880%0.79965%0.652SS**  trans-72.593.9156.4-164.9167.657.700104.2K188 E192K188-Q190 PolarHBondContact O-N 3.41Å; K188-Q190 VanDerWaalsContact O-N 3.09Å; Q190-E192 PolarHBondContact O-N 3.12Å; Q190-E192 VanDerWaalsContact O-N 3.12Å
191V62.6Low71.1Confident117 Ų117116.9 Ų116.971%0.70966%0.659SS**  trans-55.4121.8167.491.90000104.5S189 D193S189-V191 PolarHBondContact O-N 3.44Å; V191-D193 VanDerWaalsContact C-N 3.28Å; V191-D193 PolarHBondContact O-N 3.03Å
192E63.6Low69.1Low172 Ų172119 Ų11980%0.80468%0.676SS**  trans-51.7102.3170.4-155.483.5-167.600105.1Q190 P194Q190-E192 PolarHBondContact O-N 3.12Å; Q190-E192 VanDerWaalsContact O-N 3.12Å; E192-P194 WeakPolarHBondContact O-CD 3.19Å; E192-P194 VanDerWaalsContact O-N 3.09Å
193D67.8Low67.9Low124 Ų124126 Ų12666%0.66372%0.722SS**  trans-70.2103174.5-175.112.3000104V191 L195V191-D193 VanDerWaalsContact C-N 3.28Å; V191-D193 PolarHBondContact O-N 3.03Å; D193-L195 PolarHBondContact O-N 2.8Å
194P62.8Low67.1Low105 Ų105128.6 Ų128.668%0.68274%0.736SS**  trans-70.695.9-179.230.1-24.9000104.8E192E192-P194 WeakPolarHBondContact O-CD 3.19Å; E192-P194 VanDerWaalsContact O-N 3.09Å
195L64.9Low66.2Low144 Ų144130.2 Ų130.275%0.75475%0.75SS**  trans-44.7128.8170.9-75.8169.2000106.8D193D193-L195 PolarHBondContact O-N 2.8Å
196P66.5Low65.1Low102 Ų102130.9 Ų130.966%0.66276%0.762SS**  trans-54.5138.5-179.523.1-32.7000107.8V198P196-V198 PolarHBondContact O-N 2.99Å
197P66.9Low64.4Low102 Ų102131.5 Ų131.566%0.66277%0.769SS**  trans-51.7122.7-177.721-32.1000108.1F199P197-F199 VanDerWaalsContact C-N 3.31Å; P197-F199 HydrophobicContact CG-CE2 4.36Å; P197-F199 PolarHBondContact O-N 2.97Å
198V64.8Low63.5Low139 Ų139133.8 Ų133.884%0.84278%0.775SS**  trans-62101.3175.1-176.10000105.4P196 S200P196-V198 PolarHBondContact O-N 2.99Å; V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 2.87Å
199F58.8Low62.5Low193 Ų193131.8 Ų131.885%0.84678%0.78SS**  trans-64.795.8171.7-89.4-89.7000106.9P197 G201P197-F199 VanDerWaalsContact C-N 3.31Å; P197-F199 HydrophobicContact CG-CE2 4.36Å; P197-F199 PolarHBondContact O-N 2.97Å; F199-G201 PolarHBondContact O-N 3.36Å
200S65.8Low61.9Low119 Ų119135.1 Ų135.183%0.83279%0.793SS**  trans-6785.8162.854.30000107.5V198V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 2.87Å
201G52.1Low61.5Low70 Ų70132.4 Ų132.472%0.72279%0.792SS**  trans-125.774.8179.200000111F199F199-G201 PolarHBondContact O-N 3.36Å
202T45.4Very low61.4Low132 Ų132133.7 Ų133.781%0.8180%0.799SS**  trans-99.9138.2142.742.60000105.9
203P58.1Low61.2Low202 Ų202130.2 Ų130.2100%1.31280%0.799SS**  cis-117.6049.438.1-30.2000116.2

Retrieved 203 of 203 residues in 30.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).