A0A5K4FAP4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FAP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 209 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
1M24.1Very low29.1Very low228 Ų228126.4 Ų126.4100%1.12364%0.639SS**  0105.90-82.6-68.9-177.100109.4
2Q25.7Very low29.5Very low158 Ų158136 Ų13674%0.73866%0.662SS**  trans23.7120.2149.4-62.4168.4600117.5R41Q2-R41 VanDerWaalsContact C-NH2 3.32Å; Q2-R41 PolarHBondContact O-NH2 2.99Å
3G27.5Very low29.7Very low62 Ų62132.8 Ų132.864%0.63966%0.662SS**  trans-75.5140-17700000115.1C5 R41G3-C5 PolarHBondContact O-N 3.46Å; G3-R41 PolarHBondContact O-NE 3.42Å; G3-R41 PolarHBondContact O-NH1 3.39Å; G3-R41 PolarHBondContact O-NH2 2.88Å
4L31.3Very low29.9Very low117 Ų117130.2 Ų130.261%0.61365%0.651SS**  trans-51.1123171.2-11077.1000112.2R41 C43L4-R41 CarbonylContact C-O 3.34Å; L4-R41 VanDerWaalsContact CA-NE 3.26Å; L4-R41 HydrophobicContact CB-CB 3.48Å; L4-R41 VanDerWaalsContact CB-CB 3.48Å; L4-R41 HydrophobicContact CB-CG 4.1Å; L4-R41 HydrophobicContact CD1-CB 4.5Å; L4-R41 HydrophobicContact CD1-CG 4.4Å; L4-R41 HydrophobicContact CD2-CB 4.06Å; L4-R41 HydrophobicContact CG-CB 3.35Å; L4-R41 HydrophobicContact CG-CG 3.72Å; L4-C43 PolarHBondContact O-SG 3.09Å
5C26.8Very low30.1Very low80 Ų80132.5 Ų132.554%0.54167%0.665SS.*  trans-132.6106.3165.1-160.80000118.5G3 R41G3-C5 PolarHBondContact O-N 3.46Å; C5-R41 CarbonylContact C-O 2.95Å; C5-R41 VanDerWaalsContact CA-CB 3.44Å; C5-R41 WeakPolarHBondContact CA-O 3.4Å; C5-R41 VanDerWaalsContact N-CG 3.32Å; C5-R41 PolarHBondContact N-O 2.92Å; C5-R41 VanDerWaalsContact N-O 3.1Å; C5-R41 WeakPolarHBondContact O-CB 3.41Å
6I33.6Very low30.3Very low38 Ų38135.1 Ų135.120%0.19567%0.674CS.*BIsolated β-bridgetrans-104.1134.8-174.7-105.6121.700099.8V8 I39 R41 L42I6-V8 HydrophobicContact CG2-CG2 3.81Å; I6-I39 VanDerWaalsContact CA-CG2 3.41Å; I6-I39 HydrophobicContact CB-CB 4.03Å; I6-I39 HydrophobicContact CB-CG2 3.3Å; I6-I39 HydrophobicContact CD1-CB 4.25Å; I6-I39 WeakPolarHBondContact CD1-O 3.34Å; I6-I39 VanDerWaalsContact CG1-C 3.44Å; I6-I39 HydrophobicContact CG1-CB 3.32Å; I6-I39 HydrophobicContact CG1-CG2 3.19Å; I6-I39 WeakPolarHBondContact CG1-O 3.41Å; I6-I39 HydrophobicContact CG2-CB 4.23Å; I6-I39 HydrophobicContact CG2-CD1 4.28Å; I6-I39 HydrophobicContact CG2-CG2 3.57Å; I6-R41 WeakPolarHBondContact CA-O 3.46Å; I6-R41 WeakPolarHBondContact CB-O 3.25Å; I6-R41 VanDerWaalsContact CG1-CA 3.42Å; I6-R41 PolarHBondContact N-O 2.95Å; I6-L42 HydrophobicContact CB-CB 3.58Å; I6-L42 HydrophobicContact CB-CG 4.24Å; I6-L42 HydrophobicContact CD1-CB 3.37Å; I6-L42 HydrophobicContact CG1-CB 3.61Å; I6-L42 VanDerWaalsContact CG2-CA 3.42Å; I6-L42 HydrophobicContact CG2-CB 3.31Å; I6-L42 HydrophobicContact CG2-CD1 3.37Å; I6-L42 HydrophobicContact CG2-CG 3.39Å
7R28.9Very low30.4Very low117 Ų117136.9 Ų136.944%0.44268%0.68SS.*  trans-112.8116.5164.8-83.2176.3165.8171.5-7.1108.7Y9 I39 I143R7-Y9 HydrophobicContact CB-CE2 4.23Å; R7-I39 WeakPolarHBondContact O-CG2 3.4Å; R7-I143 PolarHBondContact NH2-O 3.42Å
8V34.9Very low30.5Very low72 Ų72134.3 Ų134.344%0.43668%0.676SS.*  trans-86.9116.7168.9-172.60000106.5I6 F10 I39 L42I6-V8 HydrophobicContact CG2-CG2 3.81Å; V8-F10 HydrophobicContact CB-CE2 4.25Å; V8-F10 HydrophobicContact CG1-CD2 3.91Å; V8-F10 HydrophobicContact CG1-CE2 3.41Å; V8-F10 VanDerWaalsContact CG1-CE2 3.41Å; V8-F10 HydrophobicContact CG1-CZ 4.18Å; V8-I39 HydrophobicContact CB-CD1 4.19Å; V8-I39 HydrophobicContact CG1-CD1 4.44Å; V8-I39 HydrophobicContact CG2-CD1 3.68Å; V8-L42 HydrophobicContact CG2-CD1 3.65Å
9Y31.4Very low30.7Very low192 Ų192132.6 Ų132.675%0.75368%0.678SS**  trans-84.8119.4179.3-66.1-88.4000109.9R7R7-Y9 HydrophobicContact CB-CE2 4.23Å
10F27.5Very low31Very low180 Ų180132.2 Ų132.279%0.78968%0.682SS**  trans-113.5118.7166.9-77.6-86.7000107.9V8 R12V8-F10 HydrophobicContact CB-CE2 4.25Å; V8-F10 HydrophobicContact CG1-CD2 3.91Å; V8-F10 HydrophobicContact CG1-CE2 3.41Å; V8-F10 VanDerWaalsContact CG1-CE2 3.41Å; V8-F10 HydrophobicContact CG1-CZ 4.18Å; F10-R12 PolarHBondContact O-N 2.96Å
11L28.8Very low31.2Very low146 Ų146133.8 Ų133.876%0.76469%0.691SS**  trans-76.4112.4174.4-136.983.6000107.8L14L11-L14 HydrophobicContact CD2-CB 3.64Å; L11-L14 HydrophobicContact CD2-CD1 3.89Å; L11-L14 HydrophobicContact CD2-CG 4.43Å; L11-L14 HydrophobicContact CG-CB 4.44Å
12R33.9Very low31.6Very low242 Ų242131.4 Ų131.491%0.91368%0.682SS**  trans-117.28.5174.6-123.1-171.3-177.7-170.9-0.2115.6F10F10-R12 PolarHBondContact O-N 2.96Å
13S31.4Very low32Very low94 Ų94128.7 Ų128.766%0.65768%0.681SS**SBendtrans-138.62.6-175.1-8.90000117.1L15 E16S13-L15 PolarHBondContact O-N 3.37Å; S13-L15 VanDerWaalsContact O-N 3.09Å; S13-E16 PolarHBondContact O-N 2.87Å
14L32.6Very low32.6Very low97 Ų97131.2 Ų131.251%0.50869%0.686SS.*THydrogen-bonded Turntrans-80.117.1173.3-125.2161.3000113L11 C18L11-L14 HydrophobicContact CD2-CB 3.64Å; L11-L14 HydrophobicContact CD2-CD1 3.89Å; L11-L14 HydrophobicContact CD2-CG 4.43Å; L11-L14 HydrophobicContact CG-CB 4.44Å; L14-C18 WeakPolarHBondContact CD2-SG 3.33Å; L14-C18 PolarHBondContact O-SG 3.38Å; L14-C18 VanDerWaalsContact O-SG 3.36Å
15L33.7Very low32.8Very low165 Ų165133.4 Ų133.486%0.86469%0.692SS**THydrogen-bonded Turntrans-88.6-14.1166.5-113.3162.5000112.2S13S13-L15 PolarHBondContact O-N 3.37Å; S13-L15 VanDerWaalsContact O-N 3.09Å
16E32.1Very low33.6Very low174 Ų174135.1 Ų135.181%0.81370%0.702SS**THydrogen-bonded Turntrans-100.9-24.5-177.6-144.6159.1-167.400113.9S13S13-E16 PolarHBondContact O-N 2.87Å
17E33.5Very low34.1Very low166 Ų166139.3 Ų139.378%0.77674%0.735SS**SBendtrans-100.8-4176.5-81.7-175.6161.700115.3S19E17-S19 PolarHBondContact O-N 2.87Å; E17-S19 VanDerWaalsContact O-N 3.13Å
18C30.6Very low34.5Very low90 Ų90143.1 Ų143.161%0.60875%0.75SS**G310 helixtrans-72.42173.3-86.60000114.2L14 T20L14-C18 WeakPolarHBondContact CD2-SG 3.33Å; L14-C18 PolarHBondContact O-SG 3.38Å; L14-C18 VanDerWaalsContact O-SG 3.36Å; C18-T20 VanDerWaalsContact C-N 3.33Å; C18-T20 PolarHBondContact O-N 3.19Å
19S34.8Very low34.6Very low102 Ų102144 Ų14471%0.71376%0.759SS**G310 helixtrans-79.50.8-174.5-68.50000115.7E17E17-S19 PolarHBondContact O-N 2.87Å; E17-S19 VanDerWaalsContact O-N 3.13Å
20T36.5Very low35Very low123 Ų123140.9 Ų140.976%0.75576%0.762SS**G310 helixtrans-130.39.6-172.837.80000118.4C18C18-T20 VanDerWaalsContact C-N 3.33Å; C18-T20 PolarHBondContact O-N 3.19Å
21L35.8Very low35.4Very low166 Ų166140.4 Ų140.487%0.86976%0.756SS**  trans-12091.3171.5-73.9168.8000112S23L21-S23 PolarHBondContact O-N 3.45Å
22L32.4Very low36Very low179 Ų179136.8 Ų136.894%0.93774%0.743SS**  trans-48.294.3163.9-77.4151.9000110.4
23S35Very low35.8Very low101 Ų101130.1 Ų130.171%0.70673%0.733SS**  trans-83120.7165.6178.40000109L21 H25L21-S23 PolarHBondContact O-N 3.45Å; S23-H25 PolarHBondContact O-N 2.88Å; S23-H25 VanDerWaalsContact O-N 3.09Å
24P38.1Very low35.9Very low115 Ų115134.8 Ų134.875%0.74774%0.737SS**  trans-87.237.8-171.336.3-35.3000112.9P26P24-P26 WeakPolarHBondContact O-CD 3.32Å
25H35.6Very low35.8Very low163 Ų163136 Ų13676%0.75575%0.749SS**  trans-112.796.1176-93.718.1000112.1S23S23-H25 PolarHBondContact O-N 2.88Å; S23-H25 VanDerWaalsContact O-N 3.09Å
26P44.3Very low35.9Very low115 Ų115135.2 Ų135.275%0.74774%0.744SS**THydrogen-bonded Turntrans-73.4130.5177.230.9-30.2000108.6P24P24-P26 WeakPolarHBondContact O-CD 3.32Å
27S45Very low35.9Very low127 Ų127130.4 Ų130.489%0.88873%0.734SS**THydrogen-bonded Turntrans99.81.8166.181.60000121
28R35.7Very low35.8Very low197 Ų197129.1 Ų129.174%0.74374%0.738SS**  trans-126.5105.2163.1-99.6-178175.5172.11111.4
29S36.9Very low36.1Very low90 Ų90127.3 Ų127.363%0.62972%0.722SS**  trans-47.6123.9162.251.40000108.4Y31S29-Y31 PolarHBondContact O-N 2.68Å
30P40.6Very low36.1Very low126 Ų126127.2 Ų127.282%0.81872%0.719SS**  trans-58.7113.1179.823.6-31.7000107.2S32P30-S32 PolarHBondContact O-N 3.18Å
31Y37Very low35.8Very low171 Ų171124.8 Ų124.867%0.67170%0.696SS**  trans-57110.9175.3-70.8-81.8000106.8S29 C33S29-Y31 PolarHBondContact O-N 2.68Å; Y31-C33 PolarHBondContact O-N 3.26Å
32S39.9Very low35.8Very low70 Ų70121.2 Ų121.249%0.4968%0.677SS.*  trans-58.799.6172.654.40000107.5P30 Y34P30-S32 PolarHBondContact O-N 3.18Å; S32-Y34 WeakPolarHBondContact O-CD2 3.45Å; S32-Y34 VanDerWaalsContact O-CE2 3.24Å; S32-Y34 WeakPolarHBondContact O-CE2 3.5Å; S32-Y34 PolarHBondContact O-N 3.48Å; S32-Y34 WeakPolarHBondContact OG-CE2 3.37Å; S32-Y34 VanDerWaalsContact OG-CZ 3.31Å; S32-Y34 PolarHBondContact OG-OH 3.4Å
33C30.1Very low35.8Very low102 Ų102116.5 Ų116.569%0.68966%0.658SS**  trans-65.6115.3173.3-73.20000108.3Y31Y31-C33 PolarHBondContact O-N 3.26Å
34Y34.5Very low35.9Very low191 Ų191117.8 Ų117.875%0.74965%0.653SS**  trans-91.7113.8176.2-64.2-86.1000109.6S32S32-Y34 WeakPolarHBondContact O-CD2 3.45Å; S32-Y34 VanDerWaalsContact O-CE2 3.24Å; S32-Y34 WeakPolarHBondContact O-CE2 3.5Å; S32-Y34 PolarHBondContact O-N 3.48Å; S32-Y34 WeakPolarHBondContact OG-CE2 3.37Å; S32-Y34 VanDerWaalsContact OG-CZ 3.31Å; S32-Y34 PolarHBondContact OG-OH 3.4Å
35T30.5Very low36.1Very low123 Ų123118.5 Ų118.576%0.75566%0.655SS**  trans-83131.7174.7-55.70000110.7
36L34.8Very low36.5Very low148 Ų148117.4 Ų117.478%0.77565%0.648SS**  trans-86.8103.1167.7-69.2171.5000108.4
37A31.8Very low36.1Very low73 Ų73118.8 Ų118.860%0.60364%0.644SS**  trans-95.3126.4172.600000109.9I39A37-I39 WeakPolarHBondContact O-CG1 3.33Å; A37-I39 PolarHBondContact O-N 2.88Å
38T32.6Very low35.7Very low140 Ų140120.2 Ų120.286%0.85964%0.641SS**  trans-68.7103.2164.6-56.60000107P40T38-P40 WeakPolarHBondContact O-CD 3.41Å
39I35.7Very low35.6Very low52 Ų52116.6 Ų116.627%0.26764%0.641SS.*  trans-81.8125.5178.9-41.7170.8000106I6 R7 V8 A37 R41I6-I39 VanDerWaalsContact CA-CG2 3.41Å; I6-I39 HydrophobicContact CB-CB 4.03Å; I6-I39 HydrophobicContact CB-CG2 3.3Å; I6-I39 HydrophobicContact CD1-CB 4.25Å; I6-I39 WeakPolarHBondContact CD1-O 3.34Å; I6-I39 VanDerWaalsContact CG1-C 3.44Å; I6-I39 HydrophobicContact CG1-CB 3.32Å; I6-I39 HydrophobicContact CG1-CG2 3.19Å; I6-I39 WeakPolarHBondContact CG1-O 3.41Å; I6-I39 HydrophobicContact CG2-CB 4.23Å; I6-I39 HydrophobicContact CG2-CD1 4.28Å; I6-I39 HydrophobicContact CG2-CG2 3.57Å; R7-I39 WeakPolarHBondContact O-CG2 3.4Å; V8-I39 HydrophobicContact CB-CD1 4.19Å; V8-I39 HydrophobicContact CG1-CD1 4.44Å; V8-I39 HydrophobicContact CG2-CD1 3.68Å; A37-I39 WeakPolarHBondContact O-CG1 3.33Å; A37-I39 PolarHBondContact O-N 2.88Å; I39-R41 PolarHBondContact O-N 3.46Å
40P35.4Very low35.4Very low99 Ų99120.3 Ų120.364%0.64364%0.642SS**SBendtrans-72.5-20.8-165.222.4-31.3000115.1T38T38-P40 WeakPolarHBondContact O-CD 3.41Å
41R30.4Very low35.3Very low73 Ų73119.5 Ų119.528%0.27564%0.635SS.*  trans-161.777.6-168.9-41.7171.5104.5-171.4-0.9125.5Q2 G3 L4 C5 I6 I39 C43Q2-R41 VanDerWaalsContact C-NH2 3.32Å; Q2-R41 PolarHBondContact O-NH2 2.99Å; G3-R41 PolarHBondContact O-NE 3.42Å; G3-R41 PolarHBondContact O-NH1 3.39Å; G3-R41 PolarHBondContact O-NH2 2.88Å; L4-R41 CarbonylContact C-O 3.34Å; L4-R41 VanDerWaalsContact CA-NE 3.26Å; L4-R41 HydrophobicContact CB-CB 3.48Å; L4-R41 VanDerWaalsContact CB-CB 3.48Å; L4-R41 HydrophobicContact CB-CG 4.1Å; L4-R41 HydrophobicContact CD1-CB 4.5Å; L4-R41 HydrophobicContact CD1-CG 4.4Å; L4-R41 HydrophobicContact CD2-CB 4.06Å; L4-R41 HydrophobicContact CG-CB 3.35Å; L4-R41 HydrophobicContact CG-CG 3.72Å; C5-R41 CarbonylContact C-O 2.95Å; C5-R41 VanDerWaalsContact CA-CB 3.44Å; C5-R41 WeakPolarHBondContact CA-O 3.4Å; C5-R41 VanDerWaalsContact N-CG 3.32Å; C5-R41 PolarHBondContact N-O 2.92Å; C5-R41 VanDerWaalsContact N-O 3.1Å; C5-R41 WeakPolarHBondContact O-CB 3.41Å; I6-R41 WeakPolarHBondContact CA-O 3.46Å; I6-R41 WeakPolarHBondContact CB-O 3.25Å; I6-R41 VanDerWaalsContact CG1-CA 3.42Å; I6-R41 PolarHBondContact N-O 2.95Å; I39-R41 PolarHBondContact O-N 3.46Å; R41-C43 PolarHBondContact O-N 2.79Å
42L35.5Very low35.1Very low91 Ų91113.2 Ų113.248%0.47662%0.623SS.*BIsolated β-bridgetrans-75101.8-155.4-163.8138.7000115.7I6 V8 H44I6-L42 HydrophobicContact CB-CB 3.58Å; I6-L42 HydrophobicContact CB-CG 4.24Å; I6-L42 HydrophobicContact CD1-CB 3.37Å; I6-L42 HydrophobicContact CG1-CB 3.61Å; I6-L42 VanDerWaalsContact CG2-CA 3.42Å; I6-L42 HydrophobicContact CG2-CB 3.31Å; I6-L42 HydrophobicContact CG2-CD1 3.37Å; I6-L42 HydrophobicContact CG2-CG 3.39Å; V8-L42 HydrophobicContact CG2-CD1 3.65Å; L42-H44 HydrophobicContact CD2-CB 4.25Å
43C33.2Very low35Very low79 Ų79116.4 Ų116.453%0.53463%0.625SS.*  trans-106.592.4171.5-72.20000109.2L4 R41L4-C43 PolarHBondContact O-SG 3.09Å; R41-C43 PolarHBondContact O-N 2.79Å
44H36.3Very low35.5Very low129 Ų129115.6 Ų115.660%0.59761%0.613SS**  trans-93.7110.6168.4-154.3-85.8000107.7L42 K46L42-H44 HydrophobicContact CD2-CB 4.25Å; H44-K46 VanDerWaalsContact C-N 3.27Å; H44-K46 PolarHBondContact O-N 3.33Å
45T42.9Very low35.7Very low130 Ų130115.3 Ų115.380%0.79861%0.61SS**SBendtrans-73-10.5-166.4430000115
46K43.5Very low36.4Very low140 Ų140119.2 Ų119.261%0.60961%0.611SS**SBendtrans-138.2-7.2-170.7-70.6-169.3177.3-178.50119.2H44H44-K46 VanDerWaalsContact C-N 3.27Å; H44-K46 PolarHBondContact O-N 3.33Å
47H36.5Very low36.8Very low143 Ų143120 Ų12066%0.66260%0.604SS**  trans-144.5121.4-172.7-69.1-72.9000113.6T49H47-T49 VanDerWaalsContact C-N 3.28Å; H47-T49 PolarHBondContact O-N 3.32Å
48L35.6Very low37.3Very low157 Ų157121.3 Ų121.382%0.82260%0.6SS**  trans-81.111.8-173.7-95160.1000114.9L75L48-L75 HydrophobicContact CD1-CD1 4.06Å
49T34Very low37.8Very low121 Ų121117.4 Ų117.474%0.74259%0.587SS**  trans-132.576.9-164.2-20.10000111.5H47H47-T49 VanDerWaalsContact C-N 3.28Å; H47-T49 PolarHBondContact O-N 3.32Å
50Y33Very low38.1Very low168 Ų168126 Ų12666%0.65962%0.617SS**  trans-172.154.9149.3-124.8-122.9000115.7G52 Y53Y50-G52 PolarHBondContact O-N 2.91Å; Y50-Y53 HydrophobicContact CD1-CD2 4.5Å; Y50-Y53 HydrophobicContact CD1-CG 4.34Å; Y50-Y53 AromaticContact CE1-CD2 3.81Å; Y50-Y53 HydrophobicContact CE1-CD2 3.81Å; Y50-Y53 HydrophobicContact CE1-CG 4.1Å
51T38.7Very low38.2Very low109 Ų109124.5 Ų124.567%0.66962%0.619SS**SBendtrans-73.8-13.7163.852.80000112.6Y53 I54 R55T51-Y53 VanDerWaalsContact C-N 3.32Å; T51-Y53 PolarHBondContact O-N 3.5Å; T51-I54 PolarHBondContact O-N 3.12Å; T51-R55 PolarHBondContact O-N 3.44Å
52G33.1Very low38.5Very low39 Ų39122.7 Ų122.740%0.40262%0.623SS.*Hα-helixtrans-63.5-31.8-178.900000114.2Y50Y50-G52 PolarHBondContact O-N 2.91Å
53Y37.1Very low38.5Very low138 Ų138129 Ų12954%0.54164%0.641SS.*Hα-helixtrans-74.1-31.1-179.5-153.7-100.2000112.7Y50 T51Y50-Y53 HydrophobicContact CD1-CD2 4.5Å; Y50-Y53 HydrophobicContact CD1-CG 4.34Å; Y50-Y53 AromaticContact CE1-CD2 3.81Å; Y50-Y53 HydrophobicContact CE1-CD2 3.81Å; Y50-Y53 HydrophobicContact CE1-CG 4.1Å; T51-Y53 VanDerWaalsContact C-N 3.32Å; T51-Y53 PolarHBondContact O-N 3.5Å
54I41.1Very low38.8Very low84 Ų84128.7 Ų128.743%0.43163%0.633SS.*Hα-helixtrans-72.7-41-179.9-56.9177.9000110.4T51 R56 R57 L58 I64T51-I54 PolarHBondContact O-N 3.12Å; I54-R56 VanDerWaalsContact C-N 3.26Å; I54-R56 PolarHBondContact O-N 2.96Å; I54-R57 PolarHBondContact O-N 2.95Å; I54-L58 HydrophobicContact CG2-CD1 3.95Å; I54-I64 HydrophobicContact CG2-CD1 4.41Å
55R38.3Very low38.6Very low185 Ų185127.1 Ų127.170%0.69863%0.632SS**Hα-helixtrans-59.5-34.4177.5-79.9-172.4172.6-175.6-1113.1T51 R57 I64T51-R55 PolarHBondContact O-N 3.44Å; R55-R57 VanDerWaalsContact C-N 3.3Å; R55-R57 PolarHBondContact O-N 2.8Å; R55-I64 HydrophobicContact CG-CD1 3.47Å; R55-I64 VanDerWaalsContact CG-CD1 3.47Å
56R44.2Very low38.5Very low205 Ų205125.6 Ų125.677%0.77463%0.626SS**Hα-helixtrans-71.7-21.1-178.2-73.2-176.1-174158.13.1113.9I54I54-R56 VanDerWaalsContact C-N 3.26Å; I54-R56 PolarHBondContact O-N 2.96Å
57R44.9Very low38.1Very low166 Ų166125.4 Ų125.463%0.62663%0.632SS**Hα-helixtrans-100.3-11.3-176.8-76.3-158.7150.6-152.8-5.1115.7I54 R55I54-R57 PolarHBondContact O-N 2.95Å; R55-R57 VanDerWaalsContact C-N 3.3Å; R55-R57 PolarHBondContact O-N 2.8Å
58L41.6Very low38Very low100 Ų100130.2 Ų130.252%0.52464%0.644SS.*SBendtrans-96.67-177-68.2174.6000115.2I54 G62I54-L58 HydrophobicContact CG2-CD1 3.95Å; L58-G62 PolarHBondContact O-N 3.4Å
59G42.3Very low38.2Very low57 Ų57127.2 Ų127.259%0.58864%0.641SS**  trans62.2-17817200000114.6G61 G62G59-G61 PolarHBondContact O-N 2.91Å; G59-G62 PolarHBondContact O-N 3.41Å
60R42.4Very low38.7Very low233 Ų233126.1 Ų126.188%0.87965%0.645SS**THydrogen-bonded Turntrans-75.293.8-179.1-140.6-171.1-166.9-1635108.6
61G38.5Very low39.6Very low67 Ų67119.9 Ų119.969%0.69163%0.628SS**THydrogen-bonded Turntrans134.5-8.3-177.200000114.4G59 R63G59-G61 PolarHBondContact O-N 2.91Å; G61-R63 PolarHBondContact O-N 2.88Å
62G36.4Very low40.2Very low36 Ų36119.2 Ų119.237%0.37163%0.625SS.*  trans-63.480.8164.700000110.4L58 G59 I64L58-G62 PolarHBondContact O-N 3.4Å; G59-G62 PolarHBondContact O-N 3.41Å; G62-I64 VanDerWaalsContact C-N 3.31Å; G62-I64 PolarHBondContact O-N 2.91Å
63R34.2Very low41.8Very low224 Ų224122.7 Ų122.785%0.84564%0.639SS**  trans-67.798.3167.5-67.1-175.9-178-173.41105.6G61 V65G61-R63 PolarHBondContact O-N 2.88Å; R63-V65 HydrophobicContact CB-CG2 4.04Å; R63-V65 PolarHBondContact O-N 3.47Å
64I40Very low42.8Very low71 Ų71121.2 Ų121.236%0.36465%0.646SS.*  trans-68.285.9159.6-53.4179.1000104.3I54 R55 G62 C66I54-I64 HydrophobicContact CG2-CD1 4.41Å; R55-I64 HydrophobicContact CG-CD1 3.47Å; R55-I64 VanDerWaalsContact CG-CD1 3.47Å; G62-I64 VanDerWaalsContact C-N 3.31Å; G62-I64 PolarHBondContact O-N 2.91Å; I64-C66 VanDerWaalsContact CG2-SG 3.51Å; I64-C66 PolarHBondContact O-N 2.88Å
65V32.8Very low43.5Very low96 Ų96120.1 Ų120.158%0.58264%0.641SS**  trans-70.988.7162.2-171.60000103.3R63 D67R63-V65 HydrophobicContact CB-CG2 4.04Å; R63-V65 PolarHBondContact O-N 3.47Å; V65-D67 WeakPolarHBondContact CG1-OD1 3.26Å; V65-D67 PolarHBondContact O-N 3.45Å
66C39.9Very low44.6Very low98 Ų98113 Ų11366%0.66262%0.619SS**  trans-6481159-62.10000104.6I64 R68I64-C66 VanDerWaalsContact CG2-SG 3.51Å; I64-C66 PolarHBondContact O-N 2.88Å; C66-R68 PolarHBondContact O-N 3.18Å
67D35Very low45.7Very low137 Ų137105.5 Ų105.573%0.73360%0.602SS**  trans-56.7117.4167.6-85.7-31.2000105.3V65 A69V65-D67 WeakPolarHBondContact CG1-OD1 3.26Å; V65-D67 PolarHBondContact O-N 3.45Å; D67-A69 PolarHBondContact O-N 3.22Å
68R34Very low46.9Very low244 Ų244104.6 Ų104.692%0.92160%0.599SS**  trans-6679.5-159.3-63.2172.3177.6162.6-2.7109.4C66 A70C66-R68 PolarHBondContact O-N 3.18Å; R68-A70 PolarHBondContact O-N 2.7Å
69A41.7Very low48Very low93 Ų93103.7 Ų103.777%0.76959%0.594SS**PPolyproline II helixtrans-58123.2161.300000106.1D67 A71D67-A69 PolarHBondContact O-N 3.22Å; A69-A71 PolarHBondContact O-N 3.37Å
70A42.9Very low49.6Very low99 Ų99107.4 Ų107.482%0.81860%0.597SS**PPolyproline II helixtrans-52.5127.9175.500000107.9R68R68-A70 PolarHBondContact O-N 2.7Å
71A52.1Low50.9Low37 Ų3798.9 Ų98.931%0.30657%0.573SS.*PPolyproline II helixtrans-54.7145.6172.700000109A69 T73 L75A69-A71 PolarHBondContact O-N 3.37Å; A71-T73 PolarHBondContact O-N 3.42Å; A71-L75 HydrophobicContact CB-CB 4.49Å; A71-L75 HydrophobicContact CB-CD2 3.56Å
72P52.6Low52.4Low94 Ų94101.6 Ų101.661%0.6156%0.563SS**PPolyproline II helixtrans-49.1137.7170.9-26.134.1000110.3P74 L75 S76P72-P74 VanDerWaalsContact C-N 3.28Å; P72-P74 VanDerWaalsContact O-N 3.08Å; P72-L75 WeakPolarHBondContact O-CA 2.99Å; P72-L75 WeakPolarHBondContact O-CB 3.41Å; P72-L75 PolarHBondContact O-N 3.15Å; P72-S76 PolarHBondContact O-N 3.09Å
73T66.3Low53.9Low113 Ų113104 Ų10469%0.69357%0.567SS**Hα-helixtrans-47.1-41.3-172.9-47.10000114.6A71 L75 S76 A77A71-T73 PolarHBondContact O-N 3.42Å; T73-L75 VanDerWaalsContact C-N 3.32Å; T73-L75 PolarHBondContact O-N 3.25Å; T73-S76 VanDerWaalsContact CA-OG 3.32Å; T73-S76 WeakPolarHBondContact CA-OG 3.49Å; T73-S76 PolarHBondContact O-N 2.65Å; T73-S76 PolarHBondContact O-OG 3.19Å; T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 3.22Å
74P57.9Low55.6Low106 Ų10695.9 Ų95.969%0.68855%0.548SS*.Hα-helixtrans-63.5-37.6176.3-22.334.5000113.1P72 Y78P72-P74 VanDerWaalsContact C-N 3.28Å; P72-P74 VanDerWaalsContact O-N 3.08Å; P74-Y78 WeakPolarHBondContact O-CB 3.38Å; P74-Y78 PolarHBondContact O-N 2.89Å
75L56.2Low57Low61 Ų6197.3 Ų97.332%0.31956%0.557SS.*Hα-helixtrans-75.8-39.1180-169139.3000111.1L48 A71 P72 T73 A77 Y78 L79L48-L75 HydrophobicContact CD1-CD1 4.06Å; A71-L75 HydrophobicContact CB-CB 4.49Å; A71-L75 HydrophobicContact CB-CD2 3.56Å; P72-L75 WeakPolarHBondContact O-CA 2.99Å; P72-L75 WeakPolarHBondContact O-CB 3.41Å; P72-L75 PolarHBondContact O-N 3.15Å; T73-L75 VanDerWaalsContact C-N 3.32Å; T73-L75 PolarHBondContact O-N 3.25Å; L75-A77 VanDerWaalsContact C-N 3.34Å; L75-Y78 PolarHBondContact O-N 3.36Å; L75-L79 HydrophobicContact CD2-CD1 3.55Å; L75-L79 HydrophobicContact CD2-CG 4.14Å; L75-L79 WeakPolarHBondContact O-CB 3.26Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.19Å
76S60.7Low58.4Low35 Ų3596.2 Ų96.225%0.24555%0.547CS..Hα-helixtrans-63.4-41172.959.50000111.9P72 T73 L79 Q80P72-S76 PolarHBondContact O-N 3.09Å; T73-S76 VanDerWaalsContact CA-OG 3.32Å; T73-S76 WeakPolarHBondContact CA-OG 3.49Å; T73-S76 PolarHBondContact O-N 2.65Å; T73-S76 PolarHBondContact O-OG 3.19Å; S76-L79 PolarHBondContact O-N 2.51Å; S76-Q80 WeakPolarHBondContact O-CB 3.11Å; S76-Q80 VanDerWaalsContact O-CG 3.25Å; S76-Q80 WeakPolarHBondContact O-CG 3.36Å; S76-Q80 PolarHBondContact O-N 3.2Å
77A68.3Low59.3Low49 Ų49100 Ų10041%0.40555%0.553SS.*Hα-helixtrans-64.7-43.5176.500000111.5T73 L75 Q80 S81T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 3.22Å; L75-A77 VanDerWaalsContact C-N 3.34Å; A77-Q80 PolarHBondContact O-N 3.47Å; A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 3.23Å; A77-S81 PolarHBondContact O-OG 2.99Å
78Y68.8Low60.5Low147 Ų14798 Ų9858%0.57655%0.549SS*.Hα-helixtrans-58.5-49.7173.8175.4-95000111.6P74 L75 Q80 S81 Y82P74-Y78 WeakPolarHBondContact O-CB 3.38Å; P74-Y78 PolarHBondContact O-N 2.89Å; L75-Y78 PolarHBondContact O-N 3.36Å; Y78-Q80 PolarHBondContact O-N 2.67Å; Y78-S81 PolarHBondContact O-N 3.49Å; Y78-S81 PolarHBondContact O-OG 3.48Å; Y78-Y82 WeakPolarHBondContact O-CB 3.17Å; Y78-Y82 PolarHBondContact O-N 2.86Å
79L66.1Low61.6Low80 Ų8089.1 Ų89.142%0.41953%0.525SS..Hα-helixtrans-62-42.5178.8-69.8176.8000112L75 S76 S81 Y82 D83L75-L79 HydrophobicContact CD2-CD1 3.55Å; L75-L79 HydrophobicContact CD2-CG 4.14Å; L75-L79 WeakPolarHBondContact O-CB 3.26Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.19Å; S76-L79 PolarHBondContact O-N 2.51Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 2.69Å; L79-Y82 WeakPolarHBondContact O-CB 3.17Å; L79-Y82 PolarHBondContact O-N 3.32Å; L79-D83 WeakPolarHBondContact O-CB 3.44Å; L79-D83 PolarHBondContact O-N 3.36Å
80Q73.9Confident62.2Low135 Ų13588.9 Ų88.963%0.63153%0.531SS*.Hα-helixtrans-62.1-41175.2-76.3174.41.500112S76 A77 Y78 D83 A84S76-Q80 WeakPolarHBondContact O-CB 3.11Å; S76-Q80 VanDerWaalsContact O-CG 3.25Å; S76-Q80 WeakPolarHBondContact O-CG 3.36Å; S76-Q80 PolarHBondContact O-N 3.2Å; A77-Q80 PolarHBondContact O-N 3.47Å; Y78-Q80 PolarHBondContact O-N 2.67Å; Q80-D83 PolarHBondContact O-N 3.29Å; Q80-A84 VanDerWaalsContact O-CB 3.27Å; Q80-A84 WeakPolarHBondContact O-CB 3.21Å; Q80-A84 PolarHBondContact O-N 3.1Å
81S71.1Confident62.3Low54 Ų5488.4 Ų88.438%0.37852%0.521SS..Hα-helixtrans-65.2-39.6176.175.90000111.9A77 Y78 L79 A84 N85A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 3.23Å; A77-S81 PolarHBondContact O-OG 2.99Å; Y78-S81 PolarHBondContact O-N 3.49Å; Y78-S81 PolarHBondContact O-OG 3.48Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 2.69Å; S81-A84 PolarHBondContact O-N 2.98Å; S81-N85 WeakPolarHBondContact O-CB 3.11Å; S81-N85 PolarHBondContact O-N 3.35Å; S81-N85 PolarHBondContact O-ND2 3.07Å
82Y69.2Low61.9Low125 Ų12590.5 Ų90.549%0.4954%0.539SS..Hα-helixtrans-64.3-46176.8-179.1-94.4000111.4Y78 L79 A84 N85 L86Y78-Y82 WeakPolarHBondContact O-CB 3.17Å; Y78-Y82 PolarHBondContact O-N 2.86Å; L79-Y82 WeakPolarHBondContact O-CB 3.17Å; L79-Y82 PolarHBondContact O-N 3.32Å; Y82-A84 VanDerWaalsContact C-N 3.35Å; Y82-A84 PolarHBondContact O-N 2.91Å; Y82-N85 PolarHBondContact O-N 3.36Å; Y82-L86 HydrophobicContact CD1-CD1 3.74Å; Y82-L86 HydrophobicContact CE1-CD1 3.26Å; Y82-L86 HydrophobicContact CE1-CG 4.32Å; Y82-L86 PolarHBondContact O-N 2.96Å
83D67.8Low61.5Low85 Ų8589.1 Ų89.146%0.45553%0.531SS..Hα-helixtrans-67.3-35.2177.3-71.2-16.6000112.2L79 Q80 K87L79-D83 WeakPolarHBondContact O-CB 3.44Å; L79-D83 PolarHBondContact O-N 3.36Å; Q80-D83 PolarHBondContact O-N 3.29Å; D83-K87 WeakPolarHBondContact O-CG 3.26Å; D83-K87 PolarHBondContact O-N 2.93Å
84A71.1Confident60.6Low55 Ų5588.5 Ų88.546%0.45553%0.529SS..Hα-helixtrans-66.4-44.1173.700000111.3Q80 S81 Y82 L86 K87 S88Q80-A84 VanDerWaalsContact O-CB 3.27Å; Q80-A84 WeakPolarHBondContact O-CB 3.21Å; Q80-A84 PolarHBondContact O-N 3.1Å; S81-A84 PolarHBondContact O-N 2.98Å; Y82-A84 VanDerWaalsContact C-N 3.35Å; Y82-A84 PolarHBondContact O-N 2.91Å; A84-L86 VanDerWaalsContact C-N 3.32Å; A84-L86 PolarHBondContact O-N 3.08Å; A84-K87 PolarHBondContact O-N 2.8Å; A84-K87 VanDerWaalsContact O-N 3.12Å; A84-S88 PolarHBondContact O-N 3.21Å; A84-S88 PolarHBondContact O-OG 3.19Å
85N68.9Low60.1Low100 Ų10088.1 Ų88.154%0.53553%0.529SS..Hα-helixtrans-63.3-38.4176.4-75.1-27.3000111.9S81 Y82 K87 S88 S89S81-N85 WeakPolarHBondContact O-CB 3.11Å; S81-N85 PolarHBondContact O-N 3.35Å; S81-N85 PolarHBondContact O-ND2 3.07Å; Y82-N85 PolarHBondContact O-N 3.36Å; N85-K87 VanDerWaalsContact C-N 3.26Å; N85-K87 PolarHBondContact O-N 2.88Å; N85-S88 WeakPolarHBondContact CA-OG 3.11Å; N85-S88 PolarHBondContact O-N 3.26Å; N85-S88 PolarHBondContact O-OG 3.45Å; N85-S88 VanDerWaalsContact O-OG 3.09Å; N85-S89 WeakPolarHBondContact O-CB 3.24Å; N85-S89 PolarHBondContact O-N 3.41Å; N85-S89 PolarHBondContact O-OG 3.34Å
86L62.1Low59.6Low74 Ų7493 Ų9339%0.38756%0.555SS.*Hα-helixtrans-61.5-34173.5-97.4161.8000112.8Y82 A84 S89Y82-L86 HydrophobicContact CD1-CD1 3.74Å; Y82-L86 HydrophobicContact CE1-CD1 3.26Å; Y82-L86 HydrophobicContact CE1-CG 4.32Å; Y82-L86 PolarHBondContact O-N 2.96Å; A84-L86 VanDerWaalsContact C-N 3.32Å; A84-L86 PolarHBondContact O-N 3.08Å; L86-S89 PolarHBondContact O-OG 2.94Å
87K59.7Low58.9Low178 Ų17897.1 Ų97.177%0.77457%0.573SS**Hα-helixtrans-79.8-34.7177.2-70.2174.2-177.8177.70112.3D83 A84 N85D83-K87 WeakPolarHBondContact O-CG 3.26Å; D83-K87 PolarHBondContact O-N 2.93Å; A84-K87 PolarHBondContact O-N 2.8Å; A84-K87 VanDerWaalsContact O-N 3.12Å; N85-K87 VanDerWaalsContact C-N 3.26Å; N85-K87 PolarHBondContact O-N 2.88Å
88S60.1Low57.8Low93 Ų9399.1 Ų99.165%0.6558%0.581SS**Hα-helixtrans-77.9-34.1177.967.40000112.2A84 N85 G90A84-S88 PolarHBondContact O-N 3.21Å; A84-S88 PolarHBondContact O-OG 3.19Å; N85-S88 WeakPolarHBondContact CA-OG 3.11Å; N85-S88 PolarHBondContact O-N 3.26Å; N85-S88 PolarHBondContact O-OG 3.45Å; N85-S88 VanDerWaalsContact O-OG 3.09Å; S88-G90 PolarHBondContact O-N 2.82Å
89S56.1Low56.9Low59 Ų5997.3 Ų97.341%0.41359%0.591SS.*SBendtrans-72.588.116369.30000106.7N85 L86 S91N85-S89 WeakPolarHBondContact O-CB 3.24Å; N85-S89 PolarHBondContact O-N 3.41Å; N85-S89 PolarHBondContact O-OG 3.34Å; L86-S89 PolarHBondContact O-OG 2.94Å; S89-S91 PolarHBondContact O-N 3.41Å
90G53.6Low56Low87 Ų87100.2 Ų100.290%0.89761%0.606SS**  trans-62.735.2173.200000114.1S88S88-G90 PolarHBondContact O-N 2.82Å
91S44.9Very low54.5Low89 Ų89100.1 Ų100.162%0.62260%0.604SS**  trans-140.754.4-173.7179.90000107.7S89 S93S89-S91 PolarHBondContact O-N 3.41Å; S91-S93 PolarHBondContact O-N 3.09Å
92A45.6Very low53.4Low81 Ų81101.3 Ų101.367%0.66961%0.611SS**  trans-71.559.7149.900000107.7P94A92-P94 VanDerWaalsContact O-CD 3.26Å; A92-P94 WeakPolarHBondContact O-CD 3.07Å
93S42.3Very low52.1Low65 Ų65104.5 Ų104.546%0.45562%0.623SS.*  trans-66.4116.3169.3-178.20000106.2S91 S95S91-S93 PolarHBondContact O-N 3.09Å; S93-S95 PolarHBondContact O-N 3.36Å; S93-S95 PolarHBondContact OG-OG 3.27Å
94P48.1Very low51.1Low101 Ų101110.4 Ų110.466%0.65664%0.639SS**G310 helixtrans-71.515.7-177.427.6-28.9000112.9A92 L96 I97A92-P94 VanDerWaalsContact O-CD 3.26Å; A92-P94 WeakPolarHBondContact O-CD 3.07Å; P94-L96 PolarHBondContact O-N 3.22Å; P94-I97 HydrophobicContact CB-CD1 4.49Å; P94-I97 PolarHBondContact O-N 2.87Å
95S47Very low50.2Low97 Ų97114.1 Ų114.168%0.67865%0.647SS**G310 helixtrans-71.9-5.9-177.459.70000115S93S93-S95 PolarHBondContact O-N 3.36Å; S93-S95 PolarHBondContact OG-OG 3.27Å
96L46.8Very low49.4Very low164 Ų164111.8 Ų111.886%0.85964%0.638SS**G310 helixtrans-95.12.6172.9-75.8167.9000114.2P94 P98P94-L96 PolarHBondContact O-N 3.22Å; L96-P98 WeakPolarHBondContact O-CD 3.35Å
97I44.8Very low48.9Very low121 Ų121115.1 Ų115.162%0.62165%0.652SS**SBendtrans-80.9110.5164.7-56.2174.7000106P94 S99P94-I97 HydrophobicContact CB-CD1 4.49Å; P94-I97 PolarHBondContact O-N 2.87Å; I97-S99 PolarHBondContact O-N 3.4Å
98P44.9Very low48.7Very low91 Ų91111.4 Ų111.459%0.59164%0.644SS**  trans-57.9110.9173.621.6-29.8000108L96 N100 F101L96-P98 WeakPolarHBondContact O-CD 3.35Å; P98-N100 PolarHBondContact O-N 2.74Å; P98-F101 PolarHBondContact O-N 3.29Å; P98-F101 VanDerWaalsContact O-N 3.16Å
99S51Low48.7Very low110 Ų110113.8 Ų113.877%0.76964%0.643SS**THydrogen-bonded Turntrans-58.1-7.7-17555.40000114I97I97-S99 PolarHBondContact O-N 3.4Å
100N47.5Very low49Very low140 Ų140115.4 Ų115.475%0.74965%0.647SS**THydrogen-bonded Turntrans-95.93.6-175-51.6-12.1000112.2P98 C102P98-N100 PolarHBondContact O-N 2.74Å; N100-C102 PolarHBondContact O-N 3.01Å
101F42.9Very low49.8Very low133 Ų133115 Ų11558%0.58363%0.627SS**  trans-7574.8170.9-146.1-92.6000109.8P98 W103P98-F101 PolarHBondContact O-N 3.29Å; P98-F101 VanDerWaalsContact O-N 3.16Å; F101-W103 VanDerWaalsContact C-N 3.33Å; F101-W103 HydrophobicContact CD1-CD2 4.21Å; F101-W103 AromaticContact CD1-CE2 3.71Å; F101-W103 HydrophobicContact CD1-CG 4.49Å; F101-W103 AromaticContact CD1-CZ2 4Å; F101-W103 HydrophobicContact CD1-CZ2 4Å; F101-W103 AromaticContact CD1-NE1 3.7Å; F101-W103 HydrophobicContact CE1-CD2 4.33Å; F101-W103 AromaticContact CE1-CE2 3.92Å; F101-W103 HydrophobicContact CE1-CH2 4.14Å; F101-W103 AromaticContact CE1-CZ2 3.83Å; F101-W103 HydrophobicContact CE1-CZ2 3.83Å; F101-W103 PolarHBondContact O-N 3.17Å
102C47.2Very low51.1Low79 Ų79113.7 Ų113.753%0.53462%0.621SS.*  trans-7086.6-180-173.50000109.8N100 R104 Q105N100-C102 PolarHBondContact O-N 3.01Å; C102-R104 PolarHBondContact O-N 3.13Å; C102-R104 VanDerWaalsContact SG-CB 3.52Å; C102-Q105 PolarHBondContact O-N 3.29Å
103W41.3Very low52.2Low193 Ų193114.2 Ų114.273%0.73161%0.612SS**G310 helixtrans-54.3-13.5169-71.5100.3000113.6F101 Q105 S106F101-W103 VanDerWaalsContact C-N 3.33Å; F101-W103 HydrophobicContact CD1-CD2 4.21Å; F101-W103 AromaticContact CD1-CE2 3.71Å; F101-W103 HydrophobicContact CD1-CG 4.49Å; F101-W103 AromaticContact CD1-CZ2 4Å; F101-W103 HydrophobicContact CD1-CZ2 4Å; F101-W103 AromaticContact CD1-NE1 3.7Å; F101-W103 HydrophobicContact CE1-CD2 4.33Å; F101-W103 AromaticContact CE1-CE2 3.92Å; F101-W103 HydrophobicContact CE1-CH2 4.14Å; F101-W103 AromaticContact CE1-CZ2 3.83Å; F101-W103 HydrophobicContact CE1-CZ2 3.83Å; F101-W103 PolarHBondContact O-N 3.17Å; W103-Q105 VanDerWaalsContact C-N 3.32Å; W103-Q105 PolarHBondContact O-N 3.36Å; W103-S106 PolarHBondContact O-OG 2.85Å
104R48.3Very low53.4Low209 Ų209114.3 Ų114.379%0.78961%0.607SS**G310 helixtrans-67.8-27.8-176.2-138.7-176.4-76.9-103.46.5113.1C102C102-R104 PolarHBondContact O-N 3.13Å; C102-R104 VanDerWaalsContact SG-CB 3.52Å
105Q50.5Low54.5Low132 Ų132113.6 Ų113.662%0.61760%0.598SS**G310 helixtrans-82.4-18.5-178.5-78.3-171.2-700115.1C102 W103 Q107 T108C102-Q105 PolarHBondContact O-N 3.29Å; W103-Q105 VanDerWaalsContact C-N 3.32Å; W103-Q105 PolarHBondContact O-N 3.36Å; Q105-Q107 VanDerWaalsContact C-N 3.31Å; Q105-T108 PolarHBondContact O-OG1 3.16Å
106S53.8Low55.5Low51 Ų51117.7 Ų117.736%0.35760%0.599SS.*Hα-helixtrans-74.1-26.3-179.863.60000112.3W103 T108 K109 D110W103-S106 PolarHBondContact O-OG 2.85Å; S106-T108 PolarHBondContact O-N 2.9Å; S106-K109 PolarHBondContact O-N 3.35Å; S106-D110 WeakPolarHBondContact O-CB 3.43Å; S106-D110 VanDerWaalsContact O-CG 3.3Å; S106-D110 PolarHBondContact O-N 3.24Å
107Q49.6Very low56.2Low144 Ų144113.5 Ų113.567%0.67358%0.577SS**Hα-helixtrans-66.2-39.5-174.2-147.417421.800112.4Q105 V111Q105-Q107 VanDerWaalsContact C-N 3.31Å; Q107-V111 VanDerWaalsContact O-CG2 3.28Å; Q107-V111 WeakPolarHBondContact O-CG2 3.28Å; Q107-V111 PolarHBondContact O-N 3.31Å
108T56.3Low57Low100 Ų100112.5 Ų112.561%0.61357%0.568SS**Hα-helixtrans-69-40.8177.147.20000112Q105 S106 V111 A112Q105-T108 PolarHBondContact O-OG1 3.16Å; S106-T108 PolarHBondContact O-N 2.9Å; T108-V111 PolarHBondContact O-N 3.22Å; T108-A112 PolarHBondContact O-N 3.4Å
109K61Low57.7Low143 Ų143113 Ų11362%0.62257%0.569SS**Hα-helixtrans-65-40.5176.9-69.1179.8179.8174.80112.1S106 V111 A112 L113S106-K109 PolarHBondContact O-N 3.35Å; K109-V111 VanDerWaalsContact C-N 3.35Å; K109-A112 PolarHBondContact O-N 3.04Å; K109-L113 WeakPolarHBondContact O-CB 3.35Å; K109-L113 PolarHBondContact O-N 3.42Å
110D62.5Low57.9Low94 Ų94110.6 Ų110.650%0.50355%0.553SS.*Hα-helixtrans-65.5-37.9177.8-75.7-14.1000112S106 L114S106-D110 WeakPolarHBondContact O-CB 3.43Å; S106-D110 VanDerWaalsContact O-CG 3.3Å; S106-D110 PolarHBondContact O-N 3.24Å; D110-L114 VanDerWaalsContact O-CB 3.26Å; D110-L114 WeakPolarHBondContact O-CB 3.26Å; D110-L114 PolarHBondContact O-N 2.92Å
111V69.8Low58.2Low79 Ų79110 Ų11048%0.47955%0.548SS..Hα-helixtrans-68.3-44.1176.6173.60000111.3Q107 T108 K109 L114 N115Q107-V111 VanDerWaalsContact O-CG2 3.28Å; Q107-V111 WeakPolarHBondContact O-CG2 3.28Å; Q107-V111 PolarHBondContact O-N 3.31Å; T108-V111 PolarHBondContact O-N 3.22Å; K109-V111 VanDerWaalsContact C-N 3.35Å; V111-L114 PolarHBondContact O-N 3.18Å; V111-N115 PolarHBondContact O-N 2.88Å
112A72.6Confident58.4Low61 Ų61111.2 Ų111.250%0.50455%0.553SS.*Hα-helixtrans-61.8-44.5176.100000111.8T108 K109 L114 N115 R116T108-A112 PolarHBondContact O-N 3.4Å; K109-A112 PolarHBondContact O-N 3.04Å; A112-L114 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 2.96Å; A112-N115 PolarHBondContact O-N 3.21Å; A112-R116 PolarHBondContact O-N 3.07Å; A112-R116 VanDerWaalsContact O-N 3.08Å
113L68.1Low58.4Low91 Ų91109.8 Ų109.848%0.47654%0.544SS..Hα-helixtrans-61-44.5175.6-168.895000111.3K109 N115 R116 L117K109-L113 WeakPolarHBondContact O-CB 3.35Å; K109-L113 PolarHBondContact O-N 3.42Å; L113-N115 PolarHBondContact O-N 2.83Å; L113-R116 PolarHBondContact O-N 3.34Å; L113-L117 HydrophobicContact CD2-CD1 4.04Å; L113-L117 HydrophobicContact CG-CD1 4.13Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.82Å
114L68.1Low58.9Low67 Ų67105.9 Ų105.935%0.35155%0.546SS..Hα-helixtrans-60.7-46.2178.7-178.665000111.5D110 V111 A112 R116 L117 K118D110-L114 VanDerWaalsContact O-CB 3.26Å; D110-L114 WeakPolarHBondContact O-CB 3.26Å; D110-L114 PolarHBondContact O-N 2.92Å; V111-L114 PolarHBondContact O-N 3.18Å; A112-L114 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 2.96Å; L114-R116 VanDerWaalsContact C-N 3.31Å; L114-R116 PolarHBondContact O-N 3.19Å; L114-L117 PolarHBondContact O-N 3.09Å; L114-K118 WeakPolarHBondContact O-CG 3.29Å; L114-K118 PolarHBondContact O-N 3.44Å
115N71.2Confident58.9Low86 Ų86104 Ų10446%0.4655%0.546SS..Hα-helixtrans-62.2-39.4178.4-73.6-19.4000111.9V111 A112 L113 K118V111-N115 PolarHBondContact O-N 2.88Å; A112-N115 PolarHBondContact O-N 3.21Å; L113-N115 PolarHBondContact O-N 2.83Å; N115-K118 PolarHBondContact O-N 2.89Å
116R67.1Low58.7Low183 Ų183107.8 Ų107.869%0.69156%0.555SS**Hα-helixtrans-67.6-33.8175.8-157.9178.2831766.5113.1A112 L113 L114 T119A112-R116 PolarHBondContact O-N 3.07Å; A112-R116 VanDerWaalsContact O-N 3.08Å; L113-R116 PolarHBondContact O-N 3.34Å; L114-R116 VanDerWaalsContact C-N 3.31Å; L114-R116 PolarHBondContact O-N 3.19Å; R116-T119 PolarHBondContact O-OG1 3.06Å
117L60.8Low58.2Low77 Ų77108.6 Ų108.640%0.40357%0.571SS.*Hα-helixtrans-76.6-32.5177.5-71.8172.3000112.2L113 L114 T119 S120 I121L113-L117 HydrophobicContact CD2-CD1 4.04Å; L113-L117 HydrophobicContact CG-CD1 4.13Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.82Å; L114-L117 PolarHBondContact O-N 3.09Å; L117-T119 VanDerWaalsContact C-N 3.34Å; L117-T119 PolarHBondContact O-N 2.93Å; L117-S120 PolarHBondContact O-N 3.38Å; L117-S120 VanDerWaalsContact O-N 3.11Å; L117-I121 HydrophobicContact CB-CD1 4.29Å; L117-I121 WeakPolarHBondContact O-CB 3.38Å; L117-I121 VanDerWaalsContact O-CG1 3.29Å; L117-I121 WeakPolarHBondContact O-CG1 3.49Å; L117-I121 PolarHBondContact O-N 2.95Å
118K62.5Low57.9Low99 Ų99112.7 Ų112.743%0.4358%0.581SS.*Hα-helixtrans-56.3-47.8175.1-76.4-180177.5177.20111.2L114 N115 S120 I121 F122L114-K118 WeakPolarHBondContact O-CG 3.29Å; L114-K118 PolarHBondContact O-N 3.44Å; N115-K118 PolarHBondContact O-N 2.89Å; K118-S120 PolarHBondContact O-N 2.94Å; K118-I121 PolarHBondContact O-N 3.35Å; K118-F122 HydrophobicContact CB-CD2 4.04Å; K118-F122 HydrophobicContact CB-CE2 4.16Å; K118-F122 HydrophobicContact CG-CD2 4.45Å; K118-F122 HydrophobicContact CG-CE2 4.06Å; K118-F122 WeakPolarHBondContact O-CB 3.12Å; K118-F122 WeakPolarHBondContact O-CD2 3.42Å; K118-F122 PolarHBondContact O-N 3.06Å
119T59.1Low57.5Low102 Ų102114.1 Ų114.163%0.62659%0.592SS**Hα-helixtrans-62.6-32.8178.1590000112.4R116 L117 S123R116-T119 PolarHBondContact O-OG1 3.06Å; L117-T119 VanDerWaalsContact C-N 3.34Å; L117-T119 PolarHBondContact O-N 2.93Å; T119-S123 WeakPolarHBondContact O-CB 3.38Å; T119-S123 PolarHBondContact O-N 3.25Å
120S54.6Low56.5Low60 Ų60112.2 Ų112.242%0.4260%0.596SS.*Hα-helixtrans-78.7-29178.3-176.20000114.5L117 K118 S123L117-S120 PolarHBondContact O-N 3.38Å; L117-S120 VanDerWaalsContact O-N 3.11Å; K118-S120 PolarHBondContact O-N 2.94Å; S120-S123 PolarHBondContact O-OG 3.43Å
121I54.7Low55.5Low126 Ų126114.5 Ų114.565%0.64660%0.602SS**Hα-helixtrans-87.5-37.8-177.9-66.5166.8000110.4L117 K118L117-I121 HydrophobicContact CB-CD1 4.29Å; L117-I121 WeakPolarHBondContact O-CB 3.38Å; L117-I121 VanDerWaalsContact O-CG1 3.29Å; L117-I121 WeakPolarHBondContact O-CG1 3.49Å; L117-I121 PolarHBondContact O-N 2.95Å; K118-I121 PolarHBondContact O-N 3.35Å
122F47.7Very low53.9Low159 Ų159116.5 Ų116.570%0.69762%0.619SS**SBendtrans-88.61.9179.9-62.8-64.4000113.8K118 S124K118-F122 HydrophobicContact CB-CD2 4.04Å; K118-F122 HydrophobicContact CB-CE2 4.16Å; K118-F122 HydrophobicContact CG-CD2 4.45Å; K118-F122 HydrophobicContact CG-CE2 4.06Å; K118-F122 WeakPolarHBondContact O-CB 3.12Å; K118-F122 WeakPolarHBondContact O-CD2 3.42Å; K118-F122 PolarHBondContact O-N 3.06Å; F122-S124 PolarHBondContact O-N 3.37Å
123S47.4Very low52.3Low49 Ų49121.5 Ų121.534%0.34363%0.625SS.*  trans-65.4111.4171.769.80000108.9T119 S120 H125T119-S123 WeakPolarHBondContact O-CB 3.38Å; T119-S123 PolarHBondContact O-N 3.25Å; S120-S123 PolarHBondContact O-OG 3.43Å; S123-H125 PolarHBondContact O-N 3.44Å
124S51.3Low50.7Low111 Ų111123 Ų12378%0.77664%0.64SS**THydrogen-bonded Turntrans-59.42.7-171.1-168.20000114.9F122F122-S124 PolarHBondContact O-N 3.37Å
125H48.6Very low49.1Very low169 Ų169125.8 Ų125.878%0.78266%0.66SS**THydrogen-bonded Turntrans-94.83.7-171.2-46.3-54.2000114.2S123 G127S123-H125 PolarHBondContact O-N 3.44Å; H125-G127 PolarHBondContact O-N 3.48Å
126R45.8Very low47.5Very low213 Ų213126.4 Ų126.480%0.80467%0.671SS**  trans-85.374171-62.4-152.8-175-160.12.1110.2R128R126-R128 PolarHBondContact O-N 3.29Å
127G42.4Very low46.2Very low68 Ų68126.1 Ų126.170%0.70168%0.678SS**  trans-46.4134.115600000109.5H125H125-G127 PolarHBondContact O-N 3.48Å
128R43.9Very low44.9Very low230 Ų230127.9 Ų127.987%0.86869%0.691SS**  trans-12.3129.2173.5-124.8172.3178.7-136.61.8114.8R126 S130R126-R128 PolarHBondContact O-N 3.29Å; R128-S130 PolarHBondContact O-N 2.93Å
129P47.5Very low43.9Very low130 Ų130131 Ų13184%0.84471%0.711SS**  trans-59.5107.1177.722.6-30.2000110.2F131P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.96Å; P129-F131 VanDerWaalsContact O-N 3.07Å
130S40.1Very low43.2Very low102 Ų102131.3 Ų131.371%0.71372%0.717SS**  trans-83.766.1-178.660.70000110.3R128R128-S130 PolarHBondContact O-N 2.93Å
131F42.6Very low42.5Very low143 Ų143133.7 Ų133.763%0.62773%0.73SS**  trans-142.997.1170-88.4-84.9000110.9P129 W133P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.96Å; P129-F131 VanDerWaalsContact O-N 3.07Å; F131-W133 HydrophobicContact CB-CG 4.43Å; F131-W133 HydrophobicContact CB-CZ2 4.36Å; F131-W133 VanDerWaalsContact CB-NE1 3.31Å; F131-W133 HydrophobicContact CD1-CD2 4.33Å; F131-W133 AromaticContact CD1-CE2 3.81Å; F131-W133 HydrophobicContact CD1-CH2 4.17Å; F131-W133 AromaticContact CD1-CZ2 3.72Å; F131-W133 HydrophobicContact CD1-CZ2 3.72Å; F131-W133 HydrophobicContact CE1-CH2 4.3Å; F131-W133 HydrophobicContact CE1-CZ2 4.19Å; F131-W133 AromaticContact CG-CE2 3.97Å; F131-W133 HydrophobicContact CG-CZ2 4.02Å; F131-W133 AromaticContact CG-NE1 3.93Å; F131-W133 PolarHBondContact O-N 3.3Å
132S35.5Very low42Very low121 Ų121132.3 Ų132.385%0.84673%0.73SS**  trans-7492.4156.351.20000107.8
133W38.9Very low41.9Very low166 Ų166131.3 Ų131.363%0.62973%0.73SS**  trans-74.8129.8177.3-70.196.3000110.2F131 V135F131-W133 HydrophobicContact CB-CG 4.43Å; F131-W133 HydrophobicContact CB-CZ2 4.36Å; F131-W133 VanDerWaalsContact CB-NE1 3.31Å; F131-W133 HydrophobicContact CD1-CD2 4.33Å; F131-W133 AromaticContact CD1-CE2 3.81Å; F131-W133 HydrophobicContact CD1-CH2 4.17Å; F131-W133 AromaticContact CD1-CZ2 3.72Å; F131-W133 HydrophobicContact CD1-CZ2 3.72Å; F131-W133 HydrophobicContact CE1-CH2 4.3Å; F131-W133 HydrophobicContact CE1-CZ2 4.19Å; F131-W133 AromaticContact CG-CE2 3.97Å; F131-W133 HydrophobicContact CG-CZ2 4.02Å; F131-W133 AromaticContact CG-NE1 3.93Å; F131-W133 PolarHBondContact O-N 3.3Å; W133-V135 PolarHBondContact O-N 3.5Å
134P35.9Very low41.3Very low122 Ų122134.8 Ų134.879%0.79275%0.752SS**  trans-68.5121.2173.326.1-30.5000109.7S136P134-S136 PolarHBondContact O-N 3.19Å
135V34.1Very low40.8Very low126 Ų126137.9 Ų137.976%0.76475%0.751SS**  trans-75.2113.5174.2-178.70000107.2W133W133-V135 PolarHBondContact O-N 3.5Å
136S36.5Very low40.1Very low99 Ų99138.3 Ų138.369%0.69275%0.754SS**  trans-80.7121.1172.1-174.60000109P134 T138P134-S136 PolarHBondContact O-N 3.19Å; S136-T138 PolarHBondContact OG-OG1 2.95Å; S136-T138 VanDerWaalsContact OG-OG1 3.08Å
137E40.5Very low39.8Very low177 Ų177132.4 Ų132.483%0.82774%0.743SS**  trans-89.6-1.6-177.8-62.6-176.3173.200113.3I139E137-I139 PolarHBondContact O-N 2.89Å
138T33Very low39.8Very low113 Ų113136.7 Ų136.769%0.69375%0.749SS**  trans-79.8114.7-175.69.30000112.3S136S136-T138 PolarHBondContact OG-OG1 2.95Å; S136-T138 VanDerWaalsContact OG-OG1 3.08Å
139I41.7Very low39.5Very low165 Ų165133.9 Ų133.985%0.84675%0.75SS**  trans-88114.4177.5-57.7171.3000109.1E137E137-I139 PolarHBondContact O-N 2.89Å
140C45Very low39.3Very low109 Ų109134.5 Ų134.574%0.73675%0.745SS**PPolyproline II helixtrans-85.3147.1177.3-63.90000112.7
141P39.2Very low39.3Very low109 Ų109137.8 Ų137.871%0.70875%0.749SS**PPolyproline II helixtrans-70.5156.9179.828.1-34000113.3I143P141-I143 PolarHBondContact O-N 3.45Å
142P44.2Very low39.1Very low97 Ų97136.6 Ų136.663%0.6376%0.758SS**PPolyproline II helixtrans-72.9126.7-175.827.9-33.3000112.9
143I45Very low39.4Very low138 Ų138139.5 Ų139.571%0.70876%0.756SS**PPolyproline II helixtrans-74.6131176.1-54.9172.2000110.1R7 P141R7-I143 PolarHBondContact NH2-O 3.42Å; P141-I143 PolarHBondContact O-N 3.45Å
144P36.3Very low39.1Very low123 Ų123135.4 Ų135.480%0.79977%0.765SS**PPolyproline II helixtrans-71.9145.7175.326.7-30.8000112.4
145F40Very low39.1Very low175 Ų175134.4 Ų134.477%0.76876%0.761SS**  trans-115123.6-175.7176.8-93.9000110.1P147F145-P147 HydrophobicContact CE1-CB 4.24Å
146E34.7Very low39.2Very low178 Ų178134.3 Ų134.383%0.83276%0.761SS**  trans-91.1124.1167.9-92.3-160.415300110.8L148E146-L148 PolarHBondContact O-N 2.89Å
147P38.3Very low39.2Very low89 Ų89136.4 Ų136.458%0.57877%0.765SS**  trans-72.2126.3174.926.6-29.5000111F145 L149F145-P147 HydrophobicContact CE1-CB 4.24Å; P147-L149 PolarHBondContact O-N 2.94Å; P147-L149 VanDerWaalsContact O-N 3.09Å
148L42.2Very low39.1Very low159 Ų159136.1 Ų136.183%0.83276%0.763SS**  trans-55.8114.5173.4-63.2170.3000110E146 I150E146-L148 PolarHBondContact O-N 2.89Å; L148-I150 PolarHBondContact O-N 2.84Å
149L38.5Very low39.2Very low171 Ų171142 Ų14290%0.89577%0.772SS**  trans-58.1116.4173.5-75.8164000108.8P147 E151P147-L149 PolarHBondContact O-N 2.94Å; P147-L149 VanDerWaalsContact O-N 3.09Å; L149-E151 PolarHBondContact O-N 3.21Å; L149-E151 VanDerWaalsContact O-N 3.15Å
150I43.1Very low38.9Very low142 Ų142140 Ų14073%0.72877%0.773SS**  trans-77.399.5170.9-59.4166.1000104.9L148 S152L148-I150 PolarHBondContact O-N 2.84Å; I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.08Å
151E39.7Very low38.5Very low171 Ų171139.8 Ų139.880%0.79977%0.772SS**  trans-60.699.8169.4-70.8-170.1169.200108.4L149 K153L149-E151 PolarHBondContact O-N 3.21Å; L149-E151 VanDerWaalsContact O-N 3.15Å; E151-K153 PolarHBondContact O-N 3.43Å
152S39.2Very low38.4Very low118 Ų118139.8 Ų139.883%0.82577%0.773SS**  trans-7177.6167.454.10000108.4I150I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.08Å
153K40.9Very low38.1Very low183 Ų183142 Ų14280%0.79678%0.778SS**  trans-102.7104.1159.3-73.3-141.4177.1-177.10108E151 S155E151-K153 PolarHBondContact O-N 3.43Å; K153-S155 PolarHBondContact O-N 3.39Å
154G32.2Very low37.6Very low80 Ų80144.9 Ų144.983%0.82579%0.785SS**  trans-53.4121.7168.800000109.5
155S37.4Very low37.7Very low101 Ų101149 Ų14971%0.70679%0.786SS**  trans-141.493157.4-168.10000105.9K153 D157K153-S155 PolarHBondContact O-N 3.39Å; S155-D157 VanDerWaalsContact C-N 3.26Å; S155-D157 PolarHBondContact O-N 2.97Å
156T35.5Very low37.5Very low124 Ų124145.4 Ų145.476%0.76178%0.783SS**  trans-67.987.6170-23.30000106.8
157D36.3Very low37.5Very low143 Ų143146.2 Ų146.277%0.76578%0.784SS**  trans-133.4108.6163.2-95.6-36.7000110.7S155 R159S155-D157 VanDerWaalsContact C-N 3.26Å; S155-D157 PolarHBondContact O-N 2.97Å; D157-R159 PolarHBondContact O-N 3.5Å
158H39.7Very low37.5Very low170 Ų170147.8 Ų147.879%0.78779%0.792SS**  trans-68.3113.2173.1-67.8-82.9000109.3
159R34Very low37Very low238 Ų238147.3 Ų147.390%0.89879%0.79SS**  trans14081.4147.3-79.8176.6169.1-161.2-1.4111D157D157-R159 PolarHBondContact O-N 3.5Å
160S36.1Very low36.6Very low122 Ų122144.3 Ų144.385%0.85378%0.783SS**  trans-122.690.7158.3-59.60000107.8
161S35.6Very low36.2Very low104 Ų104143.1 Ų143.173%0.72778%0.784SS**  trans-56151.2169.8-56.30000110.2I163S161-I163 PolarHBondContact O-N 2.88Å
162P38.3Very low35.9Very low110 Ų110141 Ų14171%0.71478%0.783SS**  trans-63.7134.2-171.4-4.916000111.1F164P162-F164 PolarHBondContact O-N 3.29Å
163I37.7Very low35.6Very low143 Ų143141.8 Ų141.873%0.73378%0.783SS**  trans-57.7103.1175.9-60167.5000108.3S161 Y165S161-I163 PolarHBondContact O-N 2.88Å; I163-Y165 PolarHBondContact O-N 3.3Å
164F34Very low35.2Very low198 Ų198137.3 Ų137.387%0.86878%0.775SS**  trans-67.5108.6166-88.5-93.2000107.4P162 S166P162-F164 PolarHBondContact O-N 3.29Å; F164-S166 PolarHBondContact O-N 3.11Å
165Y38.3Very low35.3Very low209 Ų209144.9 Ų144.982%0.8278%0.778SS**  trans-62.9106.8167.3-69.9-89.5000107.8I163 K167I163-Y165 PolarHBondContact O-N 3.3Å; Y165-K167 PolarHBondContact O-N 3.43Å
166S35.8Very low34.9Very low100 Ų100149.1 Ų149.170%0.69978%0.784SS**  trans-57127.3169.850.40000108.5F164 T168F164-S166 PolarHBondContact O-N 3.11Å; S166-T168 VanDerWaalsContact C-N 3.34Å; S166-T168 PolarHBondContact O-N 3.37Å
167K35.1Very low34.9Very low196 Ų196150.6 Ų150.685%0.85278%0.782SS**  trans-54.191.9177.4-153.2179.3-171-176.80108.6Y165 D169Y165-K167 PolarHBondContact O-N 3.43Å; K167-D169 PolarHBondContact O-N 3.18Å
168T36.8Very low35.1Very low121 Ų121148.6 Ų148.674%0.74278%0.777SS**  trans-67.3114.8170.339.10000107.1S166 C170S166-T168 VanDerWaalsContact C-N 3.34Å; S166-T168 PolarHBondContact O-N 3.37Å; T168-C170 PolarHBondContact O-N 3.43Å
169D31.9Very low34.8Very low149 Ų149147.1 Ų147.180%0.79778%0.775SS**  trans-53.4111.4176-65.2-49.9000109.4K167K167-D169 PolarHBondContact O-N 3.18Å
170C31.3Very low34.7Very low109 Ų109143.3 Ų143.374%0.73677%0.772SS**  trans-60.9128.1170.3-74.10000107.4T168 T172T168-C170 PolarHBondContact O-N 3.43Å; C170-T172 PolarHBondContact O-N 3.02Å
171P33.9Very low34.6Very low117 Ų117143 Ų14376%0.7677%0.765SS**  trans-64.7103.117825.7-31.3000107.9T173P171-T173 PolarHBondContact O-N 2.8Å
172T32.9Very low34.4Very low127 Ų127144.5 Ų144.578%0.77977%0.77SS**  trans-57.8101.9169.4-53.70000106.6C170 S174C170-T172 PolarHBondContact O-N 3.02Å; T172-S174 PolarHBondContact O-N 3Å
173T34Very low34.3Very low133 Ų133145.1 Ų145.182%0.81677%0.771SS**  trans-66.282.9163.852.30000106.7P171 R175P171-T173 PolarHBondContact O-N 2.8Å; T173-R175 PolarHBondContact O-N 2.96Å
174S33.1Very low34.1Very low90 Ų90145 Ų14563%0.62977%0.772SS**  trans-68.783.7170.8-178.50000107.7T172 K176T172-S174 PolarHBondContact O-N 3Å; S174-K176 PolarHBondContact O-N 2.76Å
175R33.3Very low34.1Very low238 Ų238144.5 Ų144.590%0.89877%0.773SS**  trans-83.996.3154.2-111.1-176.4174.5-179.6-1.8105.6T173 H177T173-R175 PolarHBondContact O-N 2.96Å; R175-H177 PolarHBondContact O-N 2.91Å
176K29.1Very low33.8Very low190 Ų190139.8 Ų139.883%0.82677%0.765SS**  trans-53.9106165.4-69.4-172.4176.1-174.10107.6S174S174-K176 PolarHBondContact O-N 2.76Å
177H35.8Very low33.5Very low156 Ų156139.4 Ų139.472%0.72277%0.768SS**  trans-93.6114.7155.6-156.6-45.5000105.1R175 D179R175-H177 PolarHBondContact O-N 2.91Å; H177-D179 PolarHBondContact O-N 3.2Å
178P41Very low33.4Very low100 Ų100138.2 Ų138.265%0.64977%0.77SS**SBendtrans-67.3121.6167.229.4-28.6000105.8
179D33.4Very low33Very low139 Ų139139.3 Ų139.374%0.74377%0.771SS**  trans148.451.2163.7-69.3-18.5000107.4H177 V181H177-D179 PolarHBondContact O-N 3.2Å; D179-V181 PolarHBondContact O-N 2.99Å
180D30.7Very low33Very low159 Ų159138.9 Ų138.985%0.8577%0.774SS**  trans-7980.7171.8-146.67.1000106.3T182D180-T182 PolarHBondContact O-N 3.43Å; D180-T182 VanDerWaalsContact O-N 3.1Å
181V34.6Very low32.8Very low116 Ų116136.7 Ų136.770%0.70377%0.77SS**  trans-71.7100.8168.6177.70000106D179 V183D179-V181 PolarHBondContact O-N 2.99Å; V181-V183 PolarHBondContact O-N 3.15Å
182T32Very low32.6Very low135 Ų135142.9 Ų142.983%0.82878%0.778SS**  trans-47.7100.8168.17.60000109.6D180 D184D180-T182 PolarHBondContact O-N 3.43Å; D180-T182 VanDerWaalsContact O-N 3.1Å; T182-D184 PolarHBondContact O-N 3.18Å
183V36.1Very low32.6Very low123 Ų123145.4 Ų145.475%0.74578%0.778SS**  trans-84.197.2168.8-176.30000106.3V181 E185V181-V183 PolarHBondContact O-N 3.15Å; V183-E185 PolarHBondContact O-N 2.82Å
184D33.1Very low32.4Very low140 Ų140145 Ų14575%0.74978%0.776SS**  trans-63109.2170.3-156.315.7000107.7T182 V186T182-D184 PolarHBondContact O-N 3.18Å; D184-V186 PolarHBondContact O-N 3.01Å
185E34.2Very low32.4Very low188 Ų188149.7 Ų149.788%0.87979%0.785SS**  trans-70.479.3175.9-78.3-147.415800109.2V183 A187V183-E185 PolarHBondContact O-N 2.82Å; E185-A187 PolarHBondContact O-N 3.28Å; E185-A187 VanDerWaalsContact O-N 3.15Å
186V30.5Very low32.3Very low109 Ų109143.7 Ų143.766%0.66178%0.78SS**  trans-71.4108.4167.4-176.50000107.6D184 L188D184-V186 PolarHBondContact O-N 3.01Å; V186-L188 PolarHBondContact O-N 3Å
187A30.6Very low32.3Very low92 Ų92142.7 Ų142.776%0.7678%0.783SS**  trans-53.2103.8176.400000111.5E185 D189E185-A187 PolarHBondContact O-N 3.28Å; E185-A187 VanDerWaalsContact O-N 3.15Å; A187-D189 VanDerWaalsContact C-N 3.34Å; A187-D189 PolarHBondContact O-N 3.1Å
188L32.2Very low32.1Very low171 Ų171139.9 Ų139.990%0.89579%0.786SS**  trans-86.282.5166.5-73.1169.2000108.9V186V186-L188 PolarHBondContact O-N 3Å
189D29.3Very low32.1Very low144 Ų144141 Ų14177%0.7779%0.794SS**  trans-68.7132.6148.7-17322.2000107.8A187A187-D189 VanDerWaalsContact C-N 3.34Å; A187-D189 PolarHBondContact O-N 3.1Å
190V30.8Very low32.1Very low141 Ų141139.6 Ų139.686%0.85580%0.795SS**  trans167.4118.5150.1155.30000109.5
191G28.8Very low32.4Very low63 Ų63140.9 Ų140.965%0.64980%0.796SS**  trans10377.2130.700000117.4K193G191-K193 PolarHBondContact O-N 2.92Å
192R29.1Very low32.3Very low246 Ų246145 Ų14593%0.92881%0.807SS**  trans-40.5117.4149.9-83.8173.5168.3170-4.1110.6
193K31.9Very low32.7Very low181 Ų181144.3 Ų144.379%0.78781%0.808SS**  trans-106.499160.4-119.1172.2-178.4172.90108.3G191 F195G191-K193 PolarHBondContact O-N 2.92Å; K193-F195 HydrophobicContact CB-CE2 4.45Å; K193-F195 PolarHBondContact O-N 3.28Å
194T30.3Very low32.6Very low125 Ų125145.1 Ų145.177%0.76781%0.808SS**  trans-66.5117.1167.839.90000109.1
195F32.9Very low33.1Very low188 Ų188144.2 Ų144.283%0.82581%0.812SS**  trans-97.1100.8160.3-74.5-81.5000107.4K193K193-F195 HydrophobicContact CB-CE2 4.45Å; K193-F195 PolarHBondContact O-N 3.28Å
196S31.5Very low33.3Very low112 Ų112144.1 Ų144.178%0.78381%0.809SS**  trans-70.1132.8170.542.90000110.4
197L29.8Very low33.7Very low169 Ų169147.6 Ų147.689%0.88582%0.818SS**  trans-49.7135165.6-10076.4000111.2
198A30.9Very low34.1Very low97 Ų97151.2 Ų151.280%0.80282%0.823SS**  trans-108.5128.5156.900000108.5
199P42.3Very low34.9Very low124 Ų124152.3 Ų152.381%0.80585%0.845SS**  trans-102.3135172.634.6-25.7000111.7
200S33.2Very low35.1Very low109 Ų109152.7 Ų152.776%0.76285%0.849SS**  trans-157.9135.2160.560.40000104.8
201E35.8Very low35.4Very low186 Ų186153.3 Ų153.387%0.86985%0.848SS**  cis-152.2145.443.6-70.4173.2128.500110.3
202Q32.9Very low35.7Very low201 Ų201158.3 Ų158.394%0.93986%0.859SS**  trans-68.7136.3164.9-68.4168.71.300109.1
203S39.8Very low36.1Very low121 Ų121153.2 Ų153.285%0.84686%0.855SS**  trans-130.4119.1155.5-149.30000109.5
204N35.4Very low36.4Very low140 Ų140151.4 Ų151.475%0.74986%0.86SS**  trans-81.2131-171.8-161.6-10.1000108.5
205S42Very low36.8Very low121 Ų121153.2 Ų153.285%0.84687%0.866SS**  trans-126.993.6166.4-56.10000106.9
206K40.3Very low37.1Very low187 Ų187150.7 Ų150.781%0.81387%0.869SS**  trans-98111175-176.6178.6-173.9-177.90106.8
207E38.4Very low37.5Very low181 Ų181153.7 Ų153.785%0.84688%0.875SS**  trans-163.7120.1156-118.6-179.9160.400107.2
208I38.5Very low38.2Very low169 Ų169152.4 Ų152.487%0.86787%0.874SS**  -178.7114.9127.8-81.6146.2000106.5
209S48.7Very low38.8Very low193 Ų193157.5 Ų157.5100%1.3588%0.881SS**  trans83.90161.9-141.50000120.3

Retrieved 209 of 209 residues in 54.2 ms (Link to these results)