A0A5K4F973_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F973, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 350 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
1M37.6Very low30.2Very low241 Ų241130.1 Ų130.1100%1.18766%0.658SS**  096.10-68.9-66.6172.100108.1G3M1-G3 PolarHBondContact O-N 3.4Å
2Q34.5Very low30.3Very low191 Ų191134.3 Ų134.389%0.89366%0.66SS**  trans-86.1103.7179-72.1178.4-1.300108.3L4Q2-L4 PolarHBondContact O-N 3.2Å
3G29.1Very low30.3Very low74 Ų74130.8 Ų130.876%0.76366%0.658SS**  trans-69.2126177.400000110.8M1 C5M1-G3 PolarHBondContact O-N 3.4Å; G3-C5 PolarHBondContact O-N 3.4Å
4L30.7Very low30.4Very low103 Ų103130.4 Ų130.454%0.53966%0.657SS.*  trans-73116.6173.5-173.676.6000108.9Q2 I6Q2-L4 PolarHBondContact O-N 3.2Å; L4-I6 HydrophobicContact CD2-CD1 3.96Å; L4-I6 HydrophobicContact CD2-CG1 3.96Å; L4-I6 HydrophobicContact CG-CG1 4.17Å
5C27Very low30.5Very low72 Ų72130.4 Ų130.449%0.48666%0.659SS.*  trans-91.3104.6176.2-171.10000109.2G3 T38G3-C5 PolarHBondContact O-N 3.4Å; C5-T38 VanDerWaalsContact SG-CG2 3.51Å
6I32.3Very low30.5Very low60 Ų60133.6 Ų133.631%0.30867%0.671SS.*  trans-93.7121.7173.6-59.3175000107.6L4 V8 L42L4-I6 HydrophobicContact CD2-CD1 3.96Å; L4-I6 HydrophobicContact CD2-CG1 3.96Å; L4-I6 HydrophobicContact CG-CG1 4.17Å; I6-V8 HydrophobicContact CG2-CG2 3.97Å; I6-L42 HydrophobicContact CD1-CD1 4.25Å; I6-L42 HydrophobicContact CD1-CD2 4.09Å
7R27.5Very low30.5Very low168 Ų168136.4 Ų136.463%0.63468%0.681SS**BIsolated β-bridgetrans-88.8110175.6-70.6179.7175.1175.5-2.9108.9
8V31.8Very low30.5Very low60 Ų60136.6 Ų136.636%0.36470%0.696SS.*  trans-108130.5173.8-176.20000108.3I6 F10 I39I6-V8 HydrophobicContact CG2-CG2 3.97Å; V8-F10 HydrophobicContact CB-CE2 3.99Å; V8-F10 HydrophobicContact CG1-CD2 4.19Å; V8-F10 HydrophobicContact CG1-CE2 3.62Å; V8-F10 HydrophobicContact CG1-CZ 3.87Å; V8-I39 HydrophobicContact CB-CD1 4.32Å; V8-I39 HydrophobicContact CG2-CD1 3.87Å
9Y28.1Very low30.4Very low176 Ų176134.8 Ų134.869%0.6970%0.697SS**  trans-90.4115.7-179.1-59-91.2000109.1
10F28.9Very low30.5Very low142 Ų142134.7 Ų134.762%0.62370%0.703SS**  trans-107131.8169.8-69.6-84000109.4V8 R12V8-F10 HydrophobicContact CB-CE2 3.99Å; V8-F10 HydrophobicContact CG1-CD2 4.19Å; V8-F10 HydrophobicContact CG1-CE2 3.62Å; V8-F10 HydrophobicContact CG1-CZ 3.87Å; F10-R12 PolarHBondContact O-N 2.89Å; F10-R12 VanDerWaalsContact O-N 3.14Å
11L25.2Very low30.7Very low144 Ų144136.2 Ų136.275%0.75471%0.711SS**  trans-69.9102.3159.8-9389.4000107.1S13L11-S13 PolarHBondContact O-N 2.94Å
12R31.3Very low30.5Very low180 Ų180133.5 Ų133.568%0.67970%0.7SS**  trans-70.8112.1158.4-88.1-171.8168.9-166.6-4.7106.8F10 L14F10-R12 PolarHBondContact O-N 2.89Å; F10-R12 VanDerWaalsContact O-N 3.14Å; R12-L14 PolarHBondContact O-N 3.28Å
13S29.9Very low30.4Very low90 Ų90128.8 Ų128.863%0.62969%0.688SS**  trans-64.5113161.1-83.10000106.9L11 L15L11-S13 PolarHBondContact O-N 2.94Å; S13-L15 PolarHBondContact O-N 3.21Å
14L32.4Very low30.6Very low125 Ų125130.7 Ų130.765%0.65469%0.687SS**SBendtrans-67.157.9170.4-77.8164.8000110.6R12R12-L14 PolarHBondContact O-N 3.28Å
15L30.9Very low30.5Very low130 Ų130133.6 Ų133.668%0.68170%0.698SS**  trans-106.91.6177.3-99.1162.1000113S13S13-L15 PolarHBondContact O-N 3.21Å
16E31.6Very low30.9Very low181 Ų181135.6 Ų135.685%0.84671%0.71SS**SBendtrans-122.9122.5176.7-146.4151.9-167.900107.2
17E30.2Very low31.4Very low182 Ų182138.3 Ų138.385%0.8573%0.734SS**  trans89.251.8171.7-135.7170.9-147.400117.8
18C29.5Very low31.7Very low139 Ų139141 Ų14194%0.93974%0.744SS**  trans-118.752.9147.1-78.80000109.5
19S28.9Very low31.9Very low103 Ų103141.2 Ų141.272%0.7275%0.748SS**  trans-86.2120.7161.4-66.60000107.5
20T32.7Very low32.6Very low133 Ų133138.2 Ų138.282%0.81675%0.75SS**SBendtrans60.877.9160.459.40000117.6
21L35.8Very low33.2Very low167 Ų167139.7 Ų139.787%0.87475%0.753SS**  trans-153.6103.2138.3-105.6161.2000107.3S23L21-S23 PolarHBondContact O-N 3.36Å
22L32.9Very low33.9Very low184 Ų184135.2 Ų135.296%0.96373%0.734SS**  trans-60.786.4168.7-85.3116.8000108.5
23S31Very low34Very low91 Ų91131.5 Ų131.564%0.63673%0.734SS**  trans-98.4118.1166.4-175.10000108.5L21 H25L21-S23 PolarHBondContact O-N 3.36Å; S23-H25 PolarHBondContact O-N 2.85Å
24P33.1Very low34.2Very low114 Ų114135.1 Ų135.174%0.7474%0.735SS**  trans-83.748.7-170.635.5-35.9000111.7P26P24-P26 WeakPolarHBondContact O-CD 3.39Å
25H29.4Very low34.2Very low165 Ų165134.3 Ų134.376%0.76474%0.736SS**  trans-101.893.8172.4-91.621.4000111.3S23 S27S23-H25 PolarHBondContact O-N 2.85Å; H25-S27 PolarHBondContact O-N 3.2Å
26P36.3Very low34.2Very low114 Ų114133.5 Ų133.574%0.7473%0.731SS**THydrogen-bonded Turntrans-75.1108.2167.431.3-30000107.2P24P24-P26 WeakPolarHBondContact O-CD 3.39Å
27S41.2Very low34.4Very low117 Ų117127.5 Ų127.582%0.81871%0.712SS**THydrogen-bonded Turntrans152.1-4.8150.455.60000115.9H25 S29H25-S27 PolarHBondContact O-N 3.2Å; S27-S29 PolarHBondContact O-N 2.85Å; S27-S29 VanDerWaalsContact O-N 3.1Å
28R33.6Very low34.4Very low225 Ų225123.6 Ų123.685%0.84970%0.701SS**  trans-81.799.3169.8-103.8-178.5-179.8175.51.5109.5
29S37.4Very low34.7Very low63 Ų63119.7 Ų119.744%0.44167%0.67SS.*  trans-43.5135.8156.445.50000108S27 Y31S27-S29 PolarHBondContact O-N 2.85Å; S27-S29 VanDerWaalsContact O-N 3.1Å; S29-Y31 WeakPolarHBondContact O-CD2 3.41Å; S29-Y31 PolarHBondContact O-N 3.23Å; S29-Y31 WeakPolarHBondContact OG-CE2 3.36Å
30P42.6Very low35.2Very low113 Ų113120.5 Ų120.573%0.73467%0.673SS**  trans-66.785.117327.5-31.8000106.3S32P30-S32 VanDerWaalsContact C-N 3.29Å; P30-S32 PolarHBondContact O-N 3.38Å
31Y40.2Very low35.2Very low173 Ų173124.5 Ų124.568%0.67867%0.673SS**  trans-54.3107.9162-72.3-78.1000104.1S29 C33S29-Y31 WeakPolarHBondContact O-CD2 3.41Å; S29-Y31 PolarHBondContact O-N 3.23Å; S29-Y31 WeakPolarHBondContact OG-CE2 3.36Å; Y31-C33 VanDerWaalsContact C-N 3.31Å; Y31-C33 PolarHBondContact O-N 2.96Å; Y31-C33 PolarHBondContact O-SG 3.39Å; Y31-C33 VanDerWaalsContact O-SG 3.35Å
32S41.4Very low35.4Very low51 Ų51120.7 Ų120.736%0.35765%0.654SS.*  trans-56.8101.1-179.3-155.80000106.6P30 Y34P30-S32 VanDerWaalsContact C-N 3.29Å; P30-S32 PolarHBondContact O-N 3.38Å; S32-Y34 WeakPolarHBondContact O-CD2 3.37Å; S32-Y34 PolarHBondContact O-N 2.96Å
33C33.1Very low35.6Very low101 Ų101116.4 Ų116.468%0.68264%0.638SS**  trans-70.599.2-175.8-70.90000107.2Y31 T35Y31-C33 VanDerWaalsContact C-N 3.31Å; Y31-C33 PolarHBondContact O-N 2.96Å; Y31-C33 PolarHBondContact O-SG 3.39Å; Y31-C33 VanDerWaalsContact O-SG 3.35Å; C33-T35 PolarHBondContact O-N 3.37Å
34Y33.6Very low35.8Very low167 Ų167116.5 Ų116.566%0.65563%0.628SS**  trans-63.3106.5171.4-58.6-78.7000108.4S32S32-Y34 WeakPolarHBondContact O-CD2 3.37Å; S32-Y34 PolarHBondContact O-N 2.96Å
35T31.9Very low36.2Very low108 Ų108116 Ų11666%0.66362%0.624SS**  trans-89.9126.9173.3-56.50000108.6C33 A37C33-T35 PolarHBondContact O-N 3.37Å; T35-A37 PolarHBondContact O-N 3.12Å
36L32.5Very low36.7Very low112 Ų112114.8 Ų114.859%0.58662%0.616SS**  trans-74113.2175.8-64.9172.6000109.1
37A35Very low36.6Very low55 Ų55118.5 Ų118.546%0.45562%0.623SS.*PPolyproline II helixtrans-95.6128.6170.200000110T35T35-A37 PolarHBondContact O-N 3.12Å
38T29.8Very low36.4Very low100 Ų100121 Ų12161%0.61363%0.626SS**BIsolated β-bridgetrans-91.5119.9169.5-61.50000108.2C5 P40C5-T38 VanDerWaalsContact SG-CG2 3.51Å; T38-P40 WeakPolarHBondContact O-CD 3.33Å
39I37.2Very low36.6Very low57 Ų57114.6 Ų114.629%0.29261%0.612SS.*PPolyproline II helixtrans-80.7116.6173.2-57.3173.2000107.4V8 R41 L42V8-I39 HydrophobicContact CB-CD1 4.32Å; V8-I39 HydrophobicContact CG2-CD1 3.87Å; I39-R41 PolarHBondContact O-N 3.14Å; I39-L42 HydrophobicContact CD1-CD1 4.42Å; I39-L42 HydrophobicContact CG2-CD1 4.32Å
40P38.8Very low36.3Very low121 Ų121120.3 Ų120.379%0.78663%0.625SS**SBendtrans-69.8-29.5-169.922.4-30.5000113.4T38T38-P40 WeakPolarHBondContact O-CD 3.33Å
41R33.1Very low35.8Very low216 Ų216119 Ų11982%0.81562%0.616SS**  trans-149.3121.5-179.4-66.4-172.8168168.1-3.5111I39I39-R41 PolarHBondContact O-N 3.14Å
42L40Very low35.4Very low87 Ų87112.8 Ų112.846%0.45560%0.604SS.*  trans-101.2107.3165.2-136.7105.4000107.8I6 I39 H44I6-L42 HydrophobicContact CD1-CD1 4.25Å; I6-L42 HydrophobicContact CD1-CD2 4.09Å; I39-L42 HydrophobicContact CD1-CD1 4.42Å; I39-L42 HydrophobicContact CG2-CD1 4.32Å; L42-H44 WeakPolarHBondContact CD2-CE1 3.41Å; L42-H44 VanDerWaalsContact CD2-NE2 3.33Å; L42-H44 WeakPolarHBondContact CD2-NE2 3.37Å
43C35.5Very low35Very low94 Ų94118 Ų11864%0.63562%0.617SS**  trans-89.2105.8177.4-69.30000109.3
44H35Very low35.4Very low93 Ų93116.7 Ų116.743%0.43160%0.603SS.*  trans-86.1109.5170.4-62-77.3000108.9L42 K46 T51L42-H44 WeakPolarHBondContact CD2-CE1 3.41Å; L42-H44 VanDerWaalsContact CD2-NE2 3.33Å; L42-H44 WeakPolarHBondContact CD2-NE2 3.37Å; H44-K46 PolarHBondContact O-N 2.92Å; H44-T51 WeakPolarHBondContact CD2-CG2 3.35Å; H44-T51 WeakPolarHBondContact NE2-CG2 3.5Å
45T42.3Very low35.6Very low105 Ų105119 Ų11964%0.64461%0.61SS**SBendtrans-74.6-12.6179.747.90000113.7W133T45-W133 HydrophobicContact CG2-CH2 3.78Å; T45-W133 HydrophobicContact CG2-CZ2 3.99Å
46K40Very low36Very low139 Ų139124.5 Ų124.560%0.60462%0.619SS**  trans-107.8103.8172-64.6-172.3-179.9-173.90109.1H44 L48 T49H44-K46 PolarHBondContact O-N 2.92Å; K46-L48 PolarHBondContact O-N 2.77Å; K46-T49 PolarHBondContact O-N 2.93Å
47H35.3Very low36.5Very low192 Ų192131 Ų13189%0.88964%0.636SS**THydrogen-bonded Turntrans-59.75.3174.9-108.5-88.8000114.9
48L36Very low36.8Very low169 Ų169132.6 Ų132.689%0.88564%0.636SS**THydrogen-bonded Turntrans-126.26-175-77.7162.5000115K46K46-L48 PolarHBondContact O-N 2.77Å
49T36.8Very low37.2Very low91 Ų91131 Ų13156%0.55864%0.639SS**SBendtrans-116.684.7-176.9-33.70000111.9K46 T51K46-T49 PolarHBondContact O-N 2.93Å; T49-T51 PolarHBondContact O-N 2.87Å
50Y31.2Very low37.6Very low182 Ų182141.1 Ų141.171%0.71467%0.674SS**  trans6152.4145.8-123.8-102.3000117.2G52 I54Y50-G52 VanDerWaalsContact C-N 3.28Å; Y50-I54 HydrophobicContact CD1-CD1 4.5Å; Y50-I54 HydrophobicContact CD1-CG1 4.47Å; Y50-I54 HydrophobicContact CE1-CD1 3.99Å; Y50-I54 HydrophobicContact CE1-CG1 3.88Å
51T33.8Very low37.8Very low86 Ų86139 Ų13953%0.52867%0.673SS.*  trans-86.5-3.1163.956.20000112.9H44 T49 Y53H44-T51 WeakPolarHBondContact CD2-CG2 3.35Å; H44-T51 WeakPolarHBondContact NE2-CG2 3.5Å; T49-T51 PolarHBondContact O-N 2.87Å; T51-Y53 PolarHBondContact O-N 3.26Å; T51-Y53 VanDerWaalsContact O-N 3.15Å
52G30.1Very low38Very low43 Ų43130.1 Ų130.144%0.44365%0.649SS.*SBendtrans-79.798.4179.200000110.8Y50 I54Y50-G52 VanDerWaalsContact C-N 3.28Å; G52-I54 PolarHBondContact O-N 2.91Å; G52-I54 VanDerWaalsContact O-N 3.13Å
53Y34.8Very low38Very low159 Ų159136.1 Ų136.162%0.62467%0.666SS**  trans23.390.2133.5-70.5-96.7000113.9T51 R55T51-Y53 PolarHBondContact O-N 3.26Å; T51-Y53 VanDerWaalsContact O-N 3.15Å; Y53-R55 PolarHBondContact O-N 2.83Å
54I40.5Very low38.5Very low75 Ų75136.5 Ų136.539%0.38566%0.66SS.*THydrogen-bonded Turntrans-71.756.7167.3-48-179.5000108.8Y50 G52 I64Y50-I54 HydrophobicContact CD1-CD1 4.5Å; Y50-I54 HydrophobicContact CD1-CG1 4.47Å; Y50-I54 HydrophobicContact CE1-CD1 3.99Å; Y50-I54 HydrophobicContact CE1-CG1 3.88Å; G52-I54 PolarHBondContact O-N 2.91Å; G52-I54 VanDerWaalsContact O-N 3.13Å; I54-I64 HydrophobicContact CB-CD1 4.27Å; I54-I64 HydrophobicContact CB-CG1 3.92Å; I54-I64 HydrophobicContact CD1-CB 4.41Å; I54-I64 HydrophobicContact CD1-CD1 4.25Å; I54-I64 HydrophobicContact CD1-CG1 4.22Å; I54-I64 HydrophobicContact CD1-CG2 3.47Å; I54-I64 VanDerWaalsContact CD1-CG2 3.47Å; I54-I64 HydrophobicContact CG2-CB 4.21Å; I54-I64 HydrophobicContact CG2-CG1 3.74Å; I54-I64 HydrophobicContact CG2-CG2 4.18Å
55R38.2Very low38.8Very low216 Ų216136.6 Ų136.682%0.81567%0.668SS**THydrogen-bonded Turntrans-14112-173-128.5-178.5-162.1-169.95114.7Y53Y53-R55 PolarHBondContact O-N 2.83Å
56R40.5Very low38.8Very low222 Ų222136.5 Ų136.584%0.83867%0.67SS**SBendtrans-125.3-7.9178.2-68.8-161.3-148.8140.66.1118.3
57R43.1Very low39.1Very low249 Ų249136.4 Ų136.494%0.9468%0.676SS**SBendtrans-107.5-15.8177.4-57.1-160.296.6-164.27.7115.2
58L41.8Very low39.5Very low89 Ų89138.9 Ų138.947%0.46668%0.678SS.*SBendtrans-109.3119.9172.1-57.3172.2000104.5R63L58-R63 WeakPolarHBondContact CD1-O 3.48Å
59G38.1Very low40.3Very low65 Ų65135.1 Ų135.167%0.6767%0.671SS**THydrogen-bonded Turntrans-55.4-163.4-175.100000114.1G61 G62G59-G61 PolarHBondContact O-N 2.8Å; G59-G62 PolarHBondContact O-N 3.02Å
60R44.3Very low41.1Very low271 Ų271135.2 Ų135.2100%1.02368%0.681SS**THydrogen-bonded Turntrans-41.2112.2174.8-107-176.1170.9-156.2-0.2110.5
61G42.6Very low42.6Very low75 Ų75128.5 Ų128.577%0.77366%0.663SS**THydrogen-bonded Turntrans93.418.3-178.400000116.4G59 R63G59-G61 PolarHBondContact O-N 2.8Å; G61-R63 PolarHBondContact O-N 3.5Å
62G38.7Very low44.1Very low31 Ų31128.9 Ų128.932%0.3267%0.667SS.*  trans-50.1100.3175.300000113.5G59 I64G59-G62 PolarHBondContact O-N 3.02Å; G62-I64 PolarHBondContact O-N 2.9Å
63R38.7Very low46.2Very low213 Ų213132.2 Ų132.280%0.80468%0.679SS**  trans-67.5128.9169.7-71.5-176.5178.6-177.5-0.3107.4L58 G61 V65L58-R63 WeakPolarHBondContact CD1-O 3.48Å; G61-R63 PolarHBondContact O-N 3.5Å; R63-V65 VanDerWaalsContact C-N 3.31Å; R63-V65 PolarHBondContact O-N 3.4Å
64I45.9Very low48.1Very low101 Ų101129.3 Ų129.352%0.51868%0.68SS.*  trans-62.3100.9169.7-60177.4000106.1I54 G62 C66I54-I64 HydrophobicContact CB-CD1 4.27Å; I54-I64 HydrophobicContact CB-CG1 3.92Å; I54-I64 HydrophobicContact CD1-CB 4.41Å; I54-I64 HydrophobicContact CD1-CD1 4.25Å; I54-I64 HydrophobicContact CD1-CG1 4.22Å; I54-I64 HydrophobicContact CD1-CG2 3.47Å; I54-I64 VanDerWaalsContact CD1-CG2 3.47Å; I54-I64 HydrophobicContact CG2-CB 4.21Å; I54-I64 HydrophobicContact CG2-CG1 3.74Å; I54-I64 HydrophobicContact CG2-CG2 4.18Å; G62-I64 PolarHBondContact O-N 2.9Å; I64-C66 PolarHBondContact O-N 3.35Å
65V41.2Very low49.5Very low96 Ų96130 Ų13058%0.58268%0.683SS**  trans-7690.3162.7-173.60000103.2R63 D67R63-V65 VanDerWaalsContact C-N 3.31Å; R63-V65 PolarHBondContact O-N 3.4Å; V65-D67 VanDerWaalsContact C-N 3.28Å; V65-D67 PolarHBondContact O-N 3.43Å
66C43.8Very low51.2Low103 Ų103121.5 Ų121.570%0.69666%0.657SS**  trans-57.1111.4154.7-64.90000103.2I64 R68I64-C66 PolarHBondContact O-N 3.35Å; C66-R68 PolarHBondContact O-N 2.85Å
67D46Very low53Low136 Ų136113.4 Ų113.473%0.72764%0.638SS**  trans-41.4136.3170.9-76.8-39.6000107.1V65 A69V65-D67 VanDerWaalsContact C-N 3.28Å; V65-D67 PolarHBondContact O-N 3.43Å; D67-A69 PolarHBondContact O-N 3.25Å
68R43.3Very low54.7Low245 Ų245107.2 Ų107.293%0.92562%0.615SS**  trans-6249-171.6-62.2171.9171.7152.6-5.3112.6C66 A70C66-R68 PolarHBondContact O-N 2.85Å; R68-A70 PolarHBondContact O-N 3.37Å
69A52Low56.4Low89 Ų89107 Ų10774%0.73661%0.614SS**  trans-55.8113164.700000105D67 A71D67-A69 PolarHBondContact O-N 3.25Å; A69-A71 PolarHBondContact O-N 3.16Å
70A54.6Low58.4Low94 Ų94110.7 Ų110.778%0.77761%0.614SS**PPolyproline II helixtrans-50.8131.8172.800000107.3R68R68-A70 PolarHBondContact O-N 3.37Å
71A62.2Low60.1Low41 Ų41100.3 Ų100.334%0.33958%0.583SS.*PPolyproline II helixtrans-53.7143.3169.100000108.2A69 T73 L75A69-A71 PolarHBondContact O-N 3.16Å; A71-T73 PolarHBondContact O-N 3.41Å; A71-L75 HydrophobicContact CB-CD2 3.75Å
72P66.3Low61.6Low93 Ų93102.6 Ų102.660%0.60457%0.569SS**PPolyproline II helixtrans-48.5136.6172.1-26.734.2000110.2P74 L75 S76P72-P74 WeakPolarHBondContact O-CD 3.23Å; P72-L75 WeakPolarHBondContact O-CA 3.42Å; P72-L75 WeakPolarHBondContact O-CB 3.37Å; P72-L75 PolarHBondContact O-N 2.9Å; P72-S76 PolarHBondContact O-N 3.27Å; P72-S76 VanDerWaalsContact O-N 3.08Å
73T73.4Confident63.4Low113 Ų113105.7 Ų105.769%0.69358%0.578SS**Hα-helixtrans-45.4-39.9-176.3-44.30000114.5A71 L75 S76 A77A71-T73 PolarHBondContact O-N 3.41Å; T73-L75 VanDerWaalsContact C-N 3.34Å; T73-L75 PolarHBondContact O-N 2.83Å; T73-S76 WeakPolarHBondContact CA-OG 3.37Å; T73-S76 PolarHBondContact O-OG 3.03Å; T73-A77 VanDerWaalsContact O-CB 3.31Å; T73-A77 WeakPolarHBondContact O-CB 3.33Å; T73-A77 PolarHBondContact O-N 2.81Å
74P75.1Confident65.2Low99 Ų9998.3 Ų98.364%0.64356%0.563SS**Hα-helixtrans-64.8-36.4176.9-22.434.7000113.5P72 Y78P72-P74 WeakPolarHBondContact O-CD 3.23Å; P74-Y78 WeakPolarHBondContact O-CB 3.4Å; P74-Y78 PolarHBondContact O-N 3.2Å; P74-Y78 VanDerWaalsContact O-N 3.08Å
75L70.6Confident66.5Low88 Ų8898.5 Ų98.546%0.46157%0.565SS.*Hα-helixtrans-77-38.9-178.5-169.3135.7000111.1A71 P72 T73 Y78 L79A71-L75 HydrophobicContact CB-CD2 3.75Å; P72-L75 WeakPolarHBondContact O-CA 3.42Å; P72-L75 WeakPolarHBondContact O-CB 3.37Å; P72-L75 PolarHBondContact O-N 2.9Å; T73-L75 VanDerWaalsContact C-N 3.34Å; T73-L75 PolarHBondContact O-N 2.83Å; L75-Y78 PolarHBondContact O-N 2.69Å; L75-L79 HydrophobicContact CD2-CD1 3.68Å; L75-L79 HydrophobicContact CD2-CG 4.36Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.05Å; L75-L79 PolarHBondContact O-N 3.35Å
76S73.4Confident67.6Low39 Ų3998.4 Ų98.427%0.27356%0.561SS.*Hα-helixtrans-65.9-42.2174.157.20000112.2P72 T73 Y78 L79 Q80P72-S76 PolarHBondContact O-N 3.27Å; P72-S76 VanDerWaalsContact O-N 3.08Å; T73-S76 WeakPolarHBondContact CA-OG 3.37Å; T73-S76 PolarHBondContact O-OG 3.03Å; S76-Y78 VanDerWaalsContact C-N 3.34Å; S76-Y78 PolarHBondContact O-N 3.45Å; S76-L79 PolarHBondContact O-N 2.88Å; S76-Q80 WeakPolarHBondContact O-CG 3.4Å; S76-Q80 PolarHBondContact O-N 3.18Å
77A78.1Confident68.4Low52 Ų52102.1 Ų102.143%0.4357%0.565SS.*Hα-helixtrans-61.9-41.5174.500000112T73 Q80 S81T73-A77 VanDerWaalsContact O-CB 3.31Å; T73-A77 WeakPolarHBondContact O-CB 3.33Å; T73-A77 PolarHBondContact O-N 2.81Å; A77-Q80 PolarHBondContact O-N 3.39Å; A77-S81 PolarHBondContact O-N 3.49Å
78Y78.8Confident69Low119 Ų11999.6 Ų99.647%0.46756%0.558SS.*Hα-helixtrans-61.3-48.9175.2175.7-100.6000111.9P74 L75 S76 Q80 S81 Y82 L113P74-Y78 WeakPolarHBondContact O-CB 3.4Å; P74-Y78 PolarHBondContact O-N 3.2Å; P74-Y78 VanDerWaalsContact O-N 3.08Å; L75-Y78 PolarHBondContact O-N 2.69Å; S76-Y78 VanDerWaalsContact C-N 3.34Å; S76-Y78 PolarHBondContact O-N 3.45Å; Y78-Q80 VanDerWaalsContact C-N 3.31Å; Y78-Q80 PolarHBondContact O-N 3.34Å; Y78-S81 PolarHBondContact O-N 3.16Å; Y78-S81 VanDerWaalsContact O-N 3.14Å; Y78-S81 PolarHBondContact O-OG 2.82Å; Y78-Y82 WeakPolarHBondContact O-CB 3Å; Y78-Y82 PolarHBondContact O-N 3.39Å; Y78-L113 HydrophobicContact CE2-CD1 4.49Å
79L77.3Confident69.6Low85 Ų8591.8 Ų91.845%0.44554%0.541SS..Hα-helixtrans-61-40.6178.6-69.7173.5000112L75 S76 Y82 D83L75-L79 HydrophobicContact CD2-CD1 3.68Å; L75-L79 HydrophobicContact CD2-CG 4.36Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.05Å; L75-L79 PolarHBondContact O-N 3.35Å; S76-L79 PolarHBondContact O-N 2.88Å; L79-Y82 WeakPolarHBondContact O-CB 3.45Å; L79-Y82 PolarHBondContact O-N 2.85Å; L79-D83 PolarHBondContact O-N 3.12Å
80Q80.4Confident69.4Low141 Ų14191 Ų9166%0.65954%0.542SS*.Hα-helixtrans-62.4-42.8173.9-76179.2-0.500112.3S76 A77 Y78 Y82 D83 A84S76-Q80 WeakPolarHBondContact O-CG 3.4Å; S76-Q80 PolarHBondContact O-N 3.18Å; A77-Q80 PolarHBondContact O-N 3.39Å; Y78-Q80 VanDerWaalsContact C-N 3.31Å; Y78-Q80 PolarHBondContact O-N 3.34Å; Q80-Y82 VanDerWaalsContact C-N 3.29Å; Q80-Y82 PolarHBondContact O-N 2.82Å; Q80-D83 PolarHBondContact O-N 3.18Å; Q80-A84 WeakPolarHBondContact O-CB 3.41Å; Q80-A84 PolarHBondContact O-N 2.84Å
81S79.4Confident68.9Low53 Ų5391.9 Ų91.937%0.37154%0.542SS..Hα-helixtrans-65-35.1176.875.60000112.3A77 Y78 A84 N85A77-S81 PolarHBondContact O-N 3.49Å; Y78-S81 PolarHBondContact O-N 3.16Å; Y78-S81 VanDerWaalsContact O-N 3.14Å; Y78-S81 PolarHBondContact O-OG 2.82Å; S81-A84 PolarHBondContact O-N 2.92Å; S81-N85 PolarHBondContact O-N 3.07Å; S81-N85 PolarHBondContact O-ND2 2.98Å
82Y75.4Confident67.9Low124 Ų12494.2 Ų94.249%0.48656%0.562SS.*Hα-helixtrans-66-48.1177.1-175.5-95.1000110.9Y78 L79 Q80 A84 N85 L86Y78-Y82 WeakPolarHBondContact O-CB 3Å; Y78-Y82 PolarHBondContact O-N 3.39Å; L79-Y82 WeakPolarHBondContact O-CB 3.45Å; L79-Y82 PolarHBondContact O-N 2.85Å; Q80-Y82 VanDerWaalsContact C-N 3.29Å; Q80-Y82 PolarHBondContact O-N 2.82Å; Y82-A84 VanDerWaalsContact C-N 3.32Å; Y82-A84 PolarHBondContact O-N 3.34Å; Y82-N85 PolarHBondContact O-N 3.36Å; Y82-L86 HydrophobicContact CD1-CD1 3.84Å; Y82-L86 HydrophobicContact CE1-CD1 3.22Å; Y82-L86 PolarHBondContact O-N 3.16Å
83D76Confident66.5Low95 Ų9594.1 Ų94.151%0.50856%0.563SS.*Hα-helixtrans-64.9-35.1177.4-73.3-18.3000112.6L79 Q80 K87L79-D83 PolarHBondContact O-N 3.12Å; Q80-D83 PolarHBondContact O-N 3.18Å; D83-K87 PolarHBondContact O-N 2.83Å
84A76.9Confident64.9Low59 Ų5994.6 Ų94.649%0.48857%0.568SS.*Hα-helixtrans-65.2-44.3174.600000111.8Q80 S81 Y82 L86 K87 S88Q80-A84 WeakPolarHBondContact O-CB 3.41Å; Q80-A84 PolarHBondContact O-N 2.84Å; S81-A84 PolarHBondContact O-N 2.92Å; Y82-A84 VanDerWaalsContact C-N 3.32Å; Y82-A84 PolarHBondContact O-N 3.34Å; A84-L86 VanDerWaalsContact C-N 3.35Å; A84-L86 PolarHBondContact O-N 3.37Å; A84-K87 PolarHBondContact O-N 3.38Å; A84-S88 PolarHBondContact O-N 3.35Å; A84-S88 VanDerWaalsContact O-N 3.11Å
85N72.1Confident63.2Low104 Ų10494 Ų9456%0.55657%0.567SS**Hα-helixtrans-63.5-41.1177-79.6-55.4000111.8S81 Y82 K87 S88 S89S81-N85 PolarHBondContact O-N 3.07Å; S81-N85 PolarHBondContact O-ND2 2.98Å; Y82-N85 PolarHBondContact O-N 3.36Å; N85-K87 VanDerWaalsContact C-N 3.32Å; N85-K87 PolarHBondContact O-N 3.3Å; N85-S88 PolarHBondContact O-N 3.32Å; N85-S88 VanDerWaalsContact O-N 3.11Å; N85-S88 PolarHBondContact O-OG 3.15Å; N85-S89 PolarHBondContact O-N 2.71Å; N85-S89 VanDerWaalsContact O-N 3.08Å
86L64.9Low61.6Low95 Ų9598 Ų9850%0.49759%0.587SS.*Hα-helixtrans-62.8-37.3178.8-122.4135.8000112.8Y82 A84 S89Y82-L86 HydrophobicContact CD1-CD1 3.84Å; Y82-L86 HydrophobicContact CE1-CD1 3.22Å; Y82-L86 PolarHBondContact O-N 3.16Å; A84-L86 VanDerWaalsContact C-N 3.35Å; A84-L86 PolarHBondContact O-N 3.37Å; L86-S89 PolarHBondContact O-OG 3.13Å
87K60.7Low59.9Low180 Ų180102.8 Ų102.878%0.78361%0.608SS**Hα-helixtrans-69.7-34.8173.7-74.1178.9179.9178.30112.3D83 A84 N85D83-K87 PolarHBondContact O-N 2.83Å; A84-K87 PolarHBondContact O-N 3.38Å; N85-K87 VanDerWaalsContact C-N 3.32Å; N85-K87 PolarHBondContact O-N 3.3Å
88S57.3Low58.2Low83 Ų83105.2 Ų105.258%0.5862%0.62SS**Hα-helixtrans-72.4-29179.973.80000113.6A84 N85 G90A84-S88 PolarHBondContact O-N 3.35Å; A84-S88 VanDerWaalsContact O-N 3.11Å; N85-S88 PolarHBondContact O-N 3.32Å; N85-S88 VanDerWaalsContact O-N 3.11Å; N85-S88 PolarHBondContact O-OG 3.15Å; S88-G90 PolarHBondContact O-N 2.99Å
89S56.8Low56.5Low81 Ų81103.6 Ų103.657%0.56663%0.626SS**G310 helixtrans-80.72.4-179.262.10000114.4N85 L86 S91N85-S89 PolarHBondContact O-N 2.71Å; N85-S89 VanDerWaalsContact O-N 3.08Å; L86-S89 PolarHBondContact O-OG 3.13Å; S89-S91 VanDerWaalsContact C-N 3.25Å; S89-S91 PolarHBondContact O-N 3.35Å
90G47.6Very low54.9Low73 Ų73105.5 Ų105.575%0.75364%0.637SS**G310 helixtrans-73.43.7-174.200000117S88S88-G90 PolarHBondContact O-N 2.99Å
91S43.5Very low53Low113 Ų113106.8 Ų106.879%0.7964%0.64SS**G310 helixtrans-120.23.2179.669.90000115.4S89 S93S89-S91 VanDerWaalsContact C-N 3.25Å; S89-S91 PolarHBondContact O-N 3.35Å; S91-S93 PolarHBondContact O-N 2.96Å
92A43.1Very low51.2Low90 Ų90108.8 Ų108.874%0.74465%0.653SS**  trans-77.9101.4176.500000110
93S35.9Very low49.2Very low91 Ų91112.1 Ų112.164%0.63667%0.665SS**  trans-25.6138.1161.8171.60000113.1S91 S95S91-S93 PolarHBondContact O-N 2.96Å; S93-S95 PolarHBondContact O-N 3.48Å
94P40.8Very low47.6Very low122 Ų122117.2 Ų117.279%0.79268%0.677SS**  trans-72.373.8176.132.7-33.3000109.3L96P94-L96 PolarHBondContact O-N 2.75Å
95S37.6Very low46.2Very low88 Ų88119.7 Ų119.762%0.61568%0.678SS**  trans-73116.6164.756.80000107.6S93 I97S93-S95 PolarHBondContact O-N 3.48Å; S95-I97 PolarHBondContact O-N 3.36Å
96L37.2Very low45.1Very low171 Ų171117 Ų11790%0.89567%0.668SS**  trans-55.494.8174.7-77.179.5000109.7P94P94-L96 PolarHBondContact O-N 2.75Å
97I38.8Very low44.4Very low139 Ų139117.5 Ų117.571%0.71367%0.668SS**  trans-122.3120161.2-56.2-179000106.9S95 S99S95-I97 PolarHBondContact O-N 3.36Å; I97-S99 PolarHBondContact O-N 2.99Å
98P40.8Very low44Very low104 Ų104113.6 Ų113.668%0.67566%0.659SS**  trans-56.9134.8-177.2-21.331.2000111.3N100P98-N100 PolarHBondContact O-N 3.07Å
99S43.3Very low44.1Very low85 Ų85115.7 Ų115.759%0.59466%0.658SS**G310 helixtrans-62.817.8-165.557.40000117.4I97 F101I97-S99 PolarHBondContact O-N 2.99Å; S99-F101 VanDerWaalsContact C-N 3.3Å; S99-F101 PolarHBondContact O-N 3.03Å
100N43.9Very low44.1Very low125 Ų125116.5 Ų116.567%0.66866%0.656SS**G310 helixtrans-75.7-16.8-173.9-63.9-22.4000113.4P98P98-N100 PolarHBondContact O-N 3.07Å
101F40.5Very low44.9Very low168 Ų168116.9 Ų116.974%0.73764%0.643SS**G310 helixtrans-84.5-15.1178.8-105.1-86.6000114.7S99 W103S99-F101 VanDerWaalsContact C-N 3.3Å; S99-F101 PolarHBondContact O-N 3.03Å; F101-W103 PolarHBondContact O-N 3.14Å
102C41.9Very low46Very low94 Ų94114 Ų11464%0.63563%0.627SS**Hα-helixtrans-70.7-34.2-175.5-156.30000112.2
103W33.5Very low47Very low194 Ų194113 Ų11374%0.73561%0.608SS**Hα-helixtrans-74.6-29.3-175.1-57.1107.1000114.2F101 S106F101-W103 PolarHBondContact O-N 3.14Å; W103-S106 PolarHBondContact O-OG 2.8Å
104R42Very low48.3Very low203 Ų203113.3 Ų113.377%0.76660%0.602SS**Hα-helixtrans-71.7-32.5178.6-72.6-83.2-155.7-169.43.4112.1
105Q48.3Very low49.4Very low110 Ų110111.6 Ų111.651%0.51459%0.586SS.*Hα-helixtrans-79.5-25.7-178.1-80-167.22.800114T108 K109Q105-T108 PolarHBondContact O-OG1 2.78Å; Q105-K109 WeakPolarHBondContact O-CG 3.35Å; Q105-K109 PolarHBondContact O-N 2.93Å
106S49.5Very low50.5Low49 Ų49117 Ų11734%0.34359%0.593SS.*Hα-helixtrans-70.1-39.7179.673.10000111.3W103 T108 K109 D110W103-S106 PolarHBondContact O-OG 2.8Å; S106-T108 PolarHBondContact O-N 3.26Å; S106-K109 PolarHBondContact O-N 2.87Å; S106-D110 WeakPolarHBondContact O-CB 2.96Å; S106-D110 VanDerWaalsContact O-CG 3.28Å; S106-D110 PolarHBondContact O-N 3.14Å
107Q49.2Very low51.7Low104 Ų104112.4 Ų112.449%0.48657%0.569SS.*Hα-helixtrans-61.6-43.6179.7-83.1-168.1-4.400113K109 D110 V111Q107-K109 VanDerWaalsContact C-N 3.31Å; Q107-K109 PolarHBondContact O-N 3.45Å; Q107-D110 PolarHBondContact O-N 2.92Å; Q107-V111 WeakPolarHBondContact O-CB 3.44Å; Q107-V111 WeakPolarHBondContact O-CG2 3.43Å; Q107-V111 PolarHBondContact O-N 2.94Å
108T53.5Low52.7Low98 Ų98110.5 Ų110.560%0.60156%0.556SS**Hα-helixtrans-66.2-36.3178.538.90000111.8Q105 S106 A112Q105-T108 PolarHBondContact O-OG1 2.78Å; S106-T108 PolarHBondContact O-N 3.26Å; T108-A112 VanDerWaalsContact O-CB 3.25Å; T108-A112 WeakPolarHBondContact O-CB 3.36Å; T108-A112 PolarHBondContact O-N 3.01Å
109K57.6Low53.4Low128 Ų128109.6 Ų109.656%0.55755%0.549SS*.Hα-helixtrans-69.8-42.9176.1-70.6173.2-175.51720112.2Q105 S106 Q107 A112 L113Q105-K109 WeakPolarHBondContact O-CG 3.35Å; Q105-K109 PolarHBondContact O-N 2.93Å; S106-K109 PolarHBondContact O-N 2.87Å; Q107-K109 VanDerWaalsContact C-N 3.31Å; Q107-K109 PolarHBondContact O-N 3.45Å; K109-A112 PolarHBondContact O-N 3.18Å; K109-L113 WeakPolarHBondContact O-CB 3.34Å; K109-L113 PolarHBondContact O-N 2.67Å
110D58.4Low53.8Low98 Ų98108.9 Ų108.952%0.52454%0.543SS..Hα-helixtrans-68.9-38.7-179.5-70.2-22.6000111.7S106 Q107 L113 L114S106-D110 WeakPolarHBondContact O-CB 2.96Å; S106-D110 VanDerWaalsContact O-CG 3.28Å; S106-D110 PolarHBondContact O-N 3.14Å; Q107-D110 PolarHBondContact O-N 2.92Å; D110-L113 PolarHBondContact O-N 3.46Å; D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 PolarHBondContact O-N 2.87Å
111V62.5Low54.2Low81 Ų81107.3 Ų107.349%0.49153%0.534SS..Hα-helixtrans-67.1-41173.7173.70000110.9Q107 L114 N115Q107-V111 WeakPolarHBondContact O-CB 3.44Å; Q107-V111 WeakPolarHBondContact O-CG2 3.43Å; Q107-V111 PolarHBondContact O-N 2.94Å; V111-L114 PolarHBondContact O-N 2.89Å; V111-N115 WeakPolarHBondContact O-CB 3.34Å; V111-N115 PolarHBondContact O-N 2.79Å
112A66.6Low54.7Low53 Ų53105.5 Ų105.544%0.43853%0.526SS..Hα-helixtrans-64.4-40.1174.400000112T108 K109 N115 R116T108-A112 VanDerWaalsContact O-CB 3.25Å; T108-A112 WeakPolarHBondContact O-CB 3.36Å; T108-A112 PolarHBondContact O-N 3.01Å; K109-A112 PolarHBondContact O-N 3.18Å; A112-N115 PolarHBondContact O-N 2.99Å; A112-R116 PolarHBondContact O-N 2.78Å
113L64.7Low55Low69 Ų69104.9 Ų104.936%0.36152%0.523SS..Hα-helixtrans-62.6-47.3174.2-171.383.2000110.5Y78 K109 D110 N115 R116 L117Y78-L113 HydrophobicContact CE2-CD1 4.49Å; K109-L113 WeakPolarHBondContact O-CB 3.34Å; K109-L113 PolarHBondContact O-N 2.67Å; D110-L113 PolarHBondContact O-N 3.46Å; L113-N115 VanDerWaalsContact C-N 3.35Å; L113-N115 PolarHBondContact O-N 3.45Å; L113-R116 PolarHBondContact O-N 2.83Å; L113-L117 HydrophobicContact CD2-CD1 4.14Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.5Å; L113-L117 WeakPolarHBondContact O-CB 3.21Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.4Å; L113-L117 PolarHBondContact O-N 3Å
114L62.6Low55.4Low97 Ų9799.4 Ų99.451%0.50851%0.514SS..Hα-helixtrans-61.2-42.8177.4-176.365.3000111.3D110 V111 L117 K118D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 PolarHBondContact O-N 2.87Å; V111-L114 PolarHBondContact O-N 2.89Å; L114-L117 PolarHBondContact O-N 3.33Å; L114-K118 WeakPolarHBondContact O-CB 3.28Å; L114-K118 WeakPolarHBondContact O-CG 3.45Å; L114-K118 PolarHBondContact O-N 3.39Å
115N65.5Low55.2Low85 Ų8593.5 Ų93.546%0.45550%0.495SS..Hα-helixtrans-66.8-38.1177.4-76.3-19.5000112.5V111 A112 L113 T119V111-N115 WeakPolarHBondContact O-CB 3.34Å; V111-N115 PolarHBondContact O-N 2.79Å; A112-N115 PolarHBondContact O-N 2.99Å; L113-N115 VanDerWaalsContact C-N 3.35Å; L113-N115 PolarHBondContact O-N 3.45Å; N115-T119 PolarHBondContact O-N 2.95Å
116R60.9Low54.8Low203 Ų20399.6 Ų99.677%0.76651%0.513SS*.Hα-helixtrans-68.7-34.1171.8-79.7179.892.5166.46.1112.8A112 L113 T119 S120A112-R116 PolarHBondContact O-N 2.78Å; L113-R116 PolarHBondContact O-N 2.83Å; R116-T119 PolarHBondContact O-OG1 2.75Å; R116-S120 PolarHBondContact O-N 3.26Å
117L60.6Low54.2Low73 Ų73100.6 Ų100.638%0.38253%0.532SS..Hα-helixtrans-75.9-34.1177-75.5169.9000111.8L113 L114 T119 S120 I121L113-L117 HydrophobicContact CD2-CD1 4.14Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.5Å; L113-L117 WeakPolarHBondContact O-CB 3.21Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.4Å; L113-L117 PolarHBondContact O-N 3Å; L114-L117 PolarHBondContact O-N 3.33Å; L117-T119 VanDerWaalsContact C-N 3.33Å; L117-T119 PolarHBondContact O-N 3.18Å; L117-S120 PolarHBondContact O-N 3.28Å; L117-S120 VanDerWaalsContact O-N 3.13Å; L117-I121 HydrophobicContact CB-CD1 4.39Å; L117-I121 WeakPolarHBondContact O-CB 3.41Å; L117-I121 WeakPolarHBondContact O-CG1 3.46Å; L117-I121 PolarHBondContact O-N 3.1Å
118K61.3Low53.5Low99 Ų99103.8 Ų103.843%0.4354%0.539SS..Hα-helixtrans-54.3-51173-84.5-178.4176.7-179.50110L114 S120 I121 F122L114-K118 WeakPolarHBondContact O-CB 3.28Å; L114-K118 WeakPolarHBondContact O-CG 3.45Å; L114-K118 PolarHBondContact O-N 3.39Å; K118-S120 PolarHBondContact O-N 2.99Å; K118-I121 PolarHBondContact O-N 2.86Å; K118-F122 HydrophobicContact CB-CD2 4.08Å; K118-F122 HydrophobicContact CB-CE2 4.05Å; K118-F122 HydrophobicContact CG-CE2 4.03Å; K118-F122 WeakPolarHBondContact O-CB 3Å; K118-F122 WeakPolarHBondContact O-CD2 3.4Å; K118-F122 WeakPolarHBondContact O-CG 3.45Å; K118-F122 PolarHBondContact O-N 3.19Å
119T55.7Low52.8Low86 Ų86105.7 Ų105.753%0.52855%0.553SS.*Hα-helixtrans-62.8-41.6176.858.50000111.6N115 R116 L117 I121 S123N115-T119 PolarHBondContact O-N 2.95Å; R116-T119 PolarHBondContact O-OG1 2.75Å; L117-T119 VanDerWaalsContact C-N 3.33Å; L117-T119 PolarHBondContact O-N 3.18Å; T119-I121 PolarHBondContact O-N 3.31Å; T119-S123 WeakPolarHBondContact O-CA 3.45Å; T119-S123 WeakPolarHBondContact O-CB 3.2Å; T119-S123 PolarHBondContact O-N 3.22Å; T119-S123 PolarHBondContact O-OG 2.86Å
120S49.8Very low51.8Low69 Ų69103.9 Ų103.948%0.48356%0.557SS.*Hα-helixtrans-61.9-43.8177.4-171.70000113.4R116 L117 K118 S124R116-S120 PolarHBondContact O-N 3.26Å; L117-S120 PolarHBondContact O-N 3.28Å; L117-S120 VanDerWaalsContact O-N 3.13Å; K118-S120 PolarHBondContact O-N 2.99Å; S120-S124 VanDerWaalsContact O-CB 3.28Å; S120-S124 WeakPolarHBondContact O-CB 3.22Å; S120-S124 PolarHBondContact O-N 3.15Å; S120-S124 VanDerWaalsContact O-N 3.13Å
121I54.1Low50.9Low92 Ų92103.7 Ų103.747%0.47255%0.551SS.*Hα-helixtrans-67.2-53.8179.2-65.2164.4000109L117 K118 T119 S123 S124 H125L117-I121 HydrophobicContact CB-CD1 4.39Å; L117-I121 WeakPolarHBondContact O-CB 3.41Å; L117-I121 WeakPolarHBondContact O-CG1 3.46Å; L117-I121 PolarHBondContact O-N 3.1Å; K118-I121 PolarHBondContact O-N 2.86Å; T119-I121 PolarHBondContact O-N 3.31Å; I121-S123 PolarHBondContact O-N 2.96Å; I121-S124 PolarHBondContact O-N 3.14Å; I121-H125 PolarHBondContact O-CD2 3.4Å; I121-H125 PolarHBondContact O-CE1 3.48Å; I121-H125 PolarHBondContact O-NE2 2.78Å
122F51.1Low49.6Very low131 Ų131105.3 Ų105.358%0.57557%0.567SS**Hα-helixtrans-68.3-36.5-177.4-65.8-60000113.5K118 H125K118-F122 HydrophobicContact CB-CD2 4.08Å; K118-F122 HydrophobicContact CB-CE2 4.05Å; K118-F122 HydrophobicContact CG-CE2 4.03Å; K118-F122 WeakPolarHBondContact O-CB 3Å; K118-F122 WeakPolarHBondContact O-CD2 3.4Å; K118-F122 WeakPolarHBondContact O-CG 3.45Å; K118-F122 PolarHBondContact O-N 3.19Å; F122-H125 PolarHBondContact O-N 2.93Å
123S46.6Very low48Very low81 Ų81109.2 Ų109.257%0.56657%0.57SS**Hα-helixtrans-71.6-32.1178.4-60.60000112.4T119 I121 H125 R126T119-S123 WeakPolarHBondContact O-CA 3.45Å; T119-S123 WeakPolarHBondContact O-CB 3.2Å; T119-S123 PolarHBondContact O-N 3.22Å; T119-S123 PolarHBondContact O-OG 2.86Å; I121-S123 PolarHBondContact O-N 2.96Å; S123-H125 PolarHBondContact O-N 3.13Å; S123-H125 VanDerWaalsContact O-N 3.11Å; S123-R126 PolarHBondContact O-N 3.26Å
124S43.2Very low46.6Very low79 Ų79111.9 Ų111.955%0.55259%0.591SS**THydrogen-bonded Turntrans-62.2-17.3174174.80000113S120 I121S120-S124 VanDerWaalsContact O-CB 3.28Å; S120-S124 WeakPolarHBondContact O-CB 3.22Å; S120-S124 PolarHBondContact O-N 3.15Å; S120-S124 VanDerWaalsContact O-N 3.13Å; I121-S124 PolarHBondContact O-N 3.14Å
125H38.2Very low45.3Very low78 Ų78112.6 Ų112.636%0.36160%0.599SS.*THydrogen-bonded Turntrans-87.8-15.4-177.4-56.6-41.5000113.8I121 F122 S123 G127I121-H125 PolarHBondContact O-CD2 3.4Å; I121-H125 PolarHBondContact O-CE1 3.48Å; I121-H125 PolarHBondContact O-NE2 2.78Å; F122-H125 PolarHBondContact O-N 2.93Å; S123-H125 PolarHBondContact O-N 3.13Å; S123-H125 VanDerWaalsContact O-N 3.11Å; H125-G127 VanDerWaalsContact C-N 3.32Å; H125-G127 PolarHBondContact O-N 3.38Å
126R39.1Very low43.9Very low238 Ų238113 Ų11390%0.89861%0.609SS**THydrogen-bonded Turntrans-73.8-18.8-177-71.5-158.5177-167.90.6114.7S123S123-R126 PolarHBondContact O-N 3.26Å
127G35.7Very low42.7Very low71 Ų71111.8 Ų111.873%0.73261%0.612SS**THydrogen-bonded Turntrans-98.71.4179.500000115.6H125H125-G127 VanDerWaalsContact C-N 3.32Å; H125-G127 PolarHBondContact O-N 3.38Å
128R36Very low41.5Very low170 Ų170113.5 Ų113.564%0.64263%0.626SS**SBendtrans-123.8110.2-178.6-71.4-167.4175.5-154.6-1.5110.4S130R128-S130 PolarHBondContact O-N 3.29Å
129P38.5Very low40.7Very low139 Ų139116.3 Ų116.390%0.90364%0.644SS**THydrogen-bonded Turntrans-76.943.2-168.531-35.2000114.3
130S36.1Very low40Very low89 Ų89117.2 Ų117.262%0.62265%0.652SS**THydrogen-bonded Turntrans-149.813.8177.948.20000116.3R128R128-S130 PolarHBondContact O-N 3.29Å
131F39.6Very low39.3Very low94 Ų94119 Ų11941%0.41266%0.662SS.*  trans-111.845.1177.6-73.8-93.6000112.6W133F131-W133 AromaticContact CD1-CD1 3.63Å; F131-W133 AromaticContact CD1-NE1 3.16Å; F131-W133 AromaticContact CE1-NE1 3.71Å; F131-W133 PolarHBondContact O-N 3.11Å
132S36.1Very low38.6Very low116 Ų116119.7 Ų119.781%0.81167%0.673SS**  trans-78.874.4161.559.10000108.8P134S132-P134 WeakPolarHBondContact O-CD 3.4Å
133W32.4Very low38.2Very low135 Ų135120.7 Ų120.751%0.51168%0.683SS.*  trans-83.3122.6167.8-67.487.4000107.8T45 F131 V135T45-W133 HydrophobicContact CG2-CH2 3.78Å; T45-W133 HydrophobicContact CG2-CZ2 3.99Å; F131-W133 AromaticContact CD1-CD1 3.63Å; F131-W133 AromaticContact CD1-NE1 3.16Å; F131-W133 AromaticContact CE1-NE1 3.71Å; F131-W133 PolarHBondContact O-N 3.11Å; W133-V135 PolarHBondContact O-N 3.29Å
134P35.1Very low37.6Very low124 Ų124122.7 Ų122.781%0.80569%0.694SS**  trans-65.6104.9162.226.4-29000106.6S132 S136S132-P134 WeakPolarHBondContact O-CD 3.4Å; P134-S136 PolarHBondContact O-N 2.77Å; P134-S136 VanDerWaalsContact O-N 3.16Å
135V34.9Very low37.5Very low112 Ų112128.4 Ų128.468%0.67971%0.709SS**  trans-66.4113.4166.8-179.60000105W133 E137W133-V135 PolarHBondContact O-N 3.29Å; V135-E137 PolarHBondContact O-N 3.45Å
136S35.9Very low37.5Very low93 Ų93133.1 Ų133.165%0.6573%0.731SS**  trans-66.2104.4171.260.10000107.6P134 T138P134-S136 PolarHBondContact O-N 2.77Å; P134-S136 VanDerWaalsContact O-N 3.16Å; S136-T138 PolarHBondContact O-N 2.87Å
137E37Very low37.3Very low178 Ų178126.6 Ų126.683%0.83272%0.72SS**  trans-71.3-11.3171.5-63.5-176.5174.800111.6V135 I139V135-E137 PolarHBondContact O-N 3.45Å; E137-I139 PolarHBondContact O-N 3.38Å; E137-I139 VanDerWaalsContact O-N 3.07Å
138T35.7Very low37.5Very low110 Ų110131.1 Ų131.168%0.67573%0.726SS**  trans-74.698.5175.246.20000110.7S136 C140S136-T138 PolarHBondContact O-N 2.87Å; T138-C140 PolarHBondContact O-N 3.13Å; T138-C140 VanDerWaalsContact O-N 3.16Å
139I42.9Very low37.8Very low157 Ų157130 Ų13081%0.80573%0.732SS**  trans-70104168-59.6166.6000107.2E137E137-I139 PolarHBondContact O-N 3.38Å; E137-I139 VanDerWaalsContact O-N 3.07Å
140C40.9Very low37.7Very low105 Ų105130.8 Ų130.871%0.70973%0.727SS**PPolyproline II helixtrans-65.9133169.5-67.10000109.1T138T138-C140 PolarHBondContact O-N 3.13Å; T138-C140 VanDerWaalsContact O-N 3.16Å
141P36Very low37.8Very low107 Ų107135 Ų13570%0.69574%0.737SS**PPolyproline II helixtrans-59.2148.9174.823-31.2000110.5I143P141-I143 PolarHBondContact O-N 3.43Å
142P39.4Very low37.4Very low107 Ų107135.3 Ų135.370%0.69575%0.751SS**PPolyproline II helixtrans-57.6128.6178.823.3-31.6000109.9P144P142-P144 WeakPolarHBondContact O-CD 3.34Å
143I43.1Very low37.4Very low152 Ų152139.4 Ų139.478%0.77975%0.754SS**PPolyproline II helixtrans-60.7120.4172.4-61167.9000106.8P141 F145P141-I143 PolarHBondContact O-N 3.43Å; I143-F145 PolarHBondContact O-N 2.79Å
144P34.8Very low37.2Very low123 Ų123137 Ų13780%0.79977%0.771SS**PPolyproline II helixtrans-56.8123.2176.1-20.530.5000109.3P142P142-P144 WeakPolarHBondContact O-CD 3.34Å
145F39.8Very low37Very low199 Ų199135.9 Ų135.987%0.87377%0.766SS**  trans-90.8107.9171-126.7-90.5000106.9I143 P147I143-F145 PolarHBondContact O-N 2.79Å; F145-P147 WeakPolarHBondContact O-CD 3.25Å
146E39.6Very low36.8Very low176 Ų176137 Ų13782%0.82277%0.774SS**  trans-70.5121.2165.8-108-170.8165.600108.2L148E146-L148 PolarHBondContact O-N 3.11Å
147P35Very low36.6Very low102 Ų102139.1 Ų139.166%0.66278%0.777SS**  trans-62.5130.5170.124.9-29.7000108.3F145 L149F145-P147 WeakPolarHBondContact O-CD 3.25Å; P147-L149 PolarHBondContact O-N 2.6Å
148L39.2Very low36.4Very low166 Ų166138.3 Ų138.387%0.86977%0.774SS**  trans-57.9100.6172.9-68.6167.5000108.3E146 I150E146-L148 PolarHBondContact O-N 3.11Å; L148-I150 PolarHBondContact O-N 3.28Å
149L42.4Very low36.1Very low146 Ų146144.3 Ų144.376%0.76478%0.784SS**  trans-66.2103.8169.2-72173000106.7P147 E151P147-L149 PolarHBondContact O-N 2.6Å; L149-E151 PolarHBondContact O-N 3.07Å
150I36.7Very low35.6Very low155 Ų155142.9 Ų142.980%0.79579%0.788SS**  trans-74.679.4171.6-56.2162.4000105.5L148 S152L148-I150 PolarHBondContact O-N 3.28Å; I150-S152 VanDerWaalsContact C-N 3.27Å; I150-S152 PolarHBondContact O-N 2.9Å
151E36.5Very low35Very low177 Ų177142.3 Ų142.383%0.82779%0.785SS**  trans-70.292.4168.2-78.1-169.9161.600108.4L149 K153L149-E151 PolarHBondContact O-N 3.07Å; E151-K153 PolarHBondContact O-N 3Å; E151-K153 VanDerWaalsContact O-N 3.14Å
152S32.6Very low34.9Very low102 Ų102142.2 Ų142.271%0.71378%0.784SS**  trans-69.2100.7163.664.50000108.3I150I150-S152 VanDerWaalsContact C-N 3.27Å; I150-S152 PolarHBondContact O-N 2.9Å
153K35.5Very low34.5Very low202 Ų202144.1 Ų144.188%0.87879%0.787SS**SBendtrans161.7110.1133-90.6-167.7180-171.10109.8E151E151-K153 PolarHBondContact O-N 3Å; E151-K153 VanDerWaalsContact O-N 3.14Å
154G28.9Very low33.9Very low84 Ų84145.5 Ų145.587%0.86679%0.788SS**  trans62.690.6146.100000117.3
155S29.6Very low33.8Very low101 Ų101150.1 Ų150.171%0.70679%0.791SS**  -164.3126.1122.8-1670000109.1D157S155-D157 PolarHBondContact O-N 3.08Å
156T31.7Very low33.2Very low135 Ų135145.6 Ų145.683%0.82878%0.784SS**  trans-71.396165.237.40000108
157D32.1Very low32.7Very low137 Ų137146.7 Ų146.773%0.73379%0.786SS**  trans-142146.4163.3-97.6-41.5000113.7S155S155-D157 PolarHBondContact O-N 3.08Å
158H32.6Very low32.7Very low162 Ų162148.1 Ų148.175%0.7579%0.793SS**  trans-77.1147.8-152.7-66.5-89.1000114.4S160H158-S160 PolarHBondContact O-N 2.93Å
159R29.2Very low32.2Very low235 Ų235147.2 Ų147.289%0.88779%0.789SS**  trans39.774.6147.4-76-176162.9-151.2-0.5116.6S161R159-S161 PolarHBondContact O-N 2.96Å
160S31.5Very low31.4Very low128 Ų128145.6 Ų145.690%0.89579%0.789SS**  trans-87.997.7153.1-68.90000108.8H158H158-S160 PolarHBondContact O-N 2.93Å
161S29.9Very low31.1Very low92 Ų92144.1 Ų144.164%0.64379%0.789SS**  trans-72.4150.4170.6-60.50000109.2R159 I163R159-S161 PolarHBondContact O-N 2.96Å; S161-I163 PolarHBondContact O-N 2.8Å
162P32.7Very low30.5Very low106 Ų106141.8 Ų141.869%0.68879%0.787SS**  trans-62.1133.1-172.223.6-32.2000111.5F164P162-F164 HydrophobicContact CG-CE2 4.47Å; P162-F164 WeakPolarHBondContact O-CD2 3.32Å; P162-F164 PolarHBondContact O-N 3.07Å
163I31.3Very low30.2Very low147 Ų147143.2 Ų143.275%0.75479%0.792SS**  trans-62.8100.6174.2-61.5165.9000107.2S161 Y165S161-I163 PolarHBondContact O-N 2.8Å; I163-Y165 PolarHBondContact O-N 3.37Å
164F30.4Very low29.9Very low181 Ų181138.5 Ų138.579%0.79479%0.785SS**  trans-68.3113.4165.9-81.2-90.5000106.7P162 S166P162-F164 HydrophobicContact CG-CE2 4.47Å; P162-F164 WeakPolarHBondContact O-CD2 3.32Å; P162-F164 PolarHBondContact O-N 3.07Å; F164-S166 VanDerWaalsContact C-N 3.35Å; F164-S166 PolarHBondContact O-N 2.69Å
165Y31.9Very low29.7Very low219 Ų219146.3 Ų146.386%0.85979%0.788SS**  trans-54.1104166.5-70.2-85.1000107.8I163 K167I163-Y165 PolarHBondContact O-N 3.37Å; Y165-K167 PolarHBondContact O-N 3.16Å
166S28.4Very low29.6Very low104 Ų104151.3 Ų151.373%0.72780%0.797SS**  trans-60.2120.8172.236.80000107.1F164 T168F164-S166 VanDerWaalsContact C-N 3.35Å; F164-S166 PolarHBondContact O-N 2.69Å; S166-T168 PolarHBondContact O-N 3.43Å
167K29.1Very low29.2Very low199 Ų199153.2 Ų153.287%0.86580%0.796SS**  trans-44.194.3172.8-158.9176.4-172.6-176.40108.9Y165 D169Y165-K167 PolarHBondContact O-N 3.16Å; K167-D169 PolarHBondContact O-N 2.66Å
168T34Very low29.3Very low132 Ų132151.5 Ų151.581%0.8179%0.792SS**PPolyproline II helixtrans-66.6126.3171.727.20000108.3S166S166-T168 PolarHBondContact O-N 3.43Å
169D29Very low29.3Very low148 Ų148151.3 Ų151.379%0.79180%0.797SS**PPolyproline II helixtrans-55.5142.1-170.7-61.7-66.8000113.5K167 P171K167-D169 PolarHBondContact O-N 2.66Å; D169-P171 WeakPolarHBondContact O-CD 3.34Å
170C24.9Very low29Very low112 Ų112147.3 Ų147.376%0.75779%0.793SS**PPolyproline II helixtrans-63.5121.1172-59.40000109.9T172C170-T172 PolarHBondContact O-N 3.04Å
171P30.6Very low28.9Very low124 Ų124148 Ų14881%0.80579%0.791SS**  trans-67.6100.7166.925.8-29.6000108.6D169D169-P171 WeakPolarHBondContact O-CD 3.34Å
172T23.7Very low28.7Very low127 Ų127148.8 Ų148.878%0.77979%0.793SS**  trans-92.493.5167.1-52.70000107.2C170C170-T172 PolarHBondContact O-N 3.04Å
173T27.7Very low28.3Very low132 Ų132149.5 Ų149.581%0.8180%0.795SS**  trans-174.6147.9162.543.60000105.8
174S29.4Very low28.2Very low104 Ų104149.7 Ų149.773%0.72780%0.797SS**  cis-162.7139-5.7172.80000104K176S174-K176 PolarHBondContact O-N 2.87Å; S174-K176 VanDerWaalsContact O-N 3.16Å
175R23.7Very low28Very low248 Ų248149.3 Ų149.394%0.93680%0.798SS**  trans-60.9108174.7-171.8-176.4-1601784108.9
176K28Very low27.9Very low205 Ų205144.8 Ų144.889%0.89179%0.793SS**  trans-117.7126.1158.7-99-175.8174.5-176.40109.4S174S174-K176 PolarHBondContact O-N 2.87Å; S174-K176 VanDerWaalsContact O-N 3.16Å
177H23.5Very low27.8Very low176 Ų176143.9 Ų143.982%0.81579%0.792SS**PPolyproline II helixtrans-60.7157.9177.8-170.6-98.2000111
178P34.7Very low27.8Very low100 Ų100142.9 Ų142.965%0.64980%0.795SS**PPolyproline II helixtrans-88.3140.7-155.833.1-24.5000112.1
179D30.6Very low27.5Very low159 Ų159143.7 Ų143.785%0.8579%0.794SS**PPolyproline II helixtrans-91.3116.9164.4-69.5-44000108.7V181D179-V181 PolarHBondContact O-N 3.43Å
180D24.2Very low27.6Very low151 Ų151142.3 Ų142.381%0.80779%0.791SS**  trans-21.4112.8156.9-99.8-36000114.1
181V28.9Very low27.6Very low141 Ų141140.5 Ų140.586%0.85579%0.792SS**  trans-129.9104.8146.3-176.70000107.7D179D179-V181 PolarHBondContact O-N 3.43Å
182T25.3Very low27.5Very low110 Ų110145.7 Ų145.768%0.67580%0.795SS**  trans-57.5133174.541.50000113.4
183V25.5Very low27.6Very low121 Ų121148.5 Ų148.573%0.73380%0.799SS**  trans33.2116.3134.8-163.40000118.1E185V183-E185 HydrophobicContact CG1-CG 4.4Å
184D29.2Very low27.8Very low151 Ų151150 Ų15081%0.80780%0.801SS**  trans-132.5106.9132.8-159.720.8000108.7V186D184-V186 PolarHBondContact O-N 2.96Å
185E26.5Very low27.9Very low172 Ų172151.4 Ų151.480%0.80480%0.801SS**  trans-68.1112.1169.4-91.8-171.512800108.4V183V183-E185 HydrophobicContact CG1-CG 4.4Å
186V29.1Very low28.1Very low124 Ų124147.4 Ų147.475%0.75280%0.798SS**  trans-120.194.8160-173.30000109.2D184D184-V186 PolarHBondContact O-N 2.96Å
187A27.3Very low28.2Very low86 Ų86143.7 Ų143.771%0.71179%0.792SS**  trans52.496.6146.800000118D189A187-D189 PolarHBondContact O-N 3.41Å; A187-D189 VanDerWaalsContact O-N 3.14Å
188L27.6Very low28.4Very low177 Ų177139.5 Ų139.593%0.92778%0.783SS**  trans-53.3102.8148.5-80.4151.8000110.3
189D28.9Very low28.1Very low150 Ų150142.3 Ų142.380%0.80279%0.792SS**  trans-96.995163.3-155.812.4000109.7A187A187-D189 PolarHBondContact O-N 3.41Å; A187-D189 VanDerWaalsContact O-N 3.14Å
190V29.6Very low28.1Very low118 Ų118141.2 Ų141.272%0.71579%0.787SS**  trans37112.6138.2-174.20000117.1R192V190-R192 PolarHBondContact O-N 3.46Å
191G25.9Very low28.1Very low75 Ų75137.6 Ų137.677%0.77378%0.784SS**  trans-50.6130.9170.200000113.5
192R27.7Very low28Very low233 Ų233138.3 Ų138.388%0.87978%0.783SS**  trans-108.891.6152.7-78.4-173.9174.5-168.7-0.7107.8V190 L194V190-R192 PolarHBondContact O-N 3.46Å; R192-L194 PolarHBondContact O-N 2.78Å; R192-L194 VanDerWaalsContact O-N 3.16Å
193E26.7Very low28.1Very low186 Ų186140.6 Ų140.687%0.86979%0.79SS**  trans-57.5108.2153.5-77-172.2132.400107.5
194L32Very low28.3Very low162 Ų162142.1 Ų142.185%0.84879%0.793SS**  trans-94108165.9-87.8167000107.8R192R192-L194 PolarHBondContact O-N 2.78Å; R192-L194 VanDerWaalsContact O-N 3.16Å
195N30.5Very low28.2Very low134 Ų134142.1 Ų142.172%0.71779%0.788SS**  trans-37.8143.2-179.8-63.1-64.9000115.5V197N195-V197 PolarHBondContact O-N 3.3Å; N195-V197 VanDerWaalsContact O-N 3.17Å
196D28.8Very low28Very low165 Ų165141.7 Ų141.788%0.88279%0.785SS**  trans-38.7110.7159.9-120.2-24.2000111
197V29.3Very low28.1Very low127 Ų127144.9 Ų144.977%0.7779%0.789SS**  trans-89.9113.1169.2173.40000107.4N195 N199N195-V197 PolarHBondContact O-N 3.3Å; N195-V197 VanDerWaalsContact O-N 3.17Å; V197-N199 PolarHBondContact O-N 2.94Å
198S29.3Very low28Very low87 Ų87147.9 Ų147.961%0.60879%0.788SS**  trans-46.8128179.3-167.60000112.8D200S198-D200 VanDerWaalsContact C-N 3.3Å; S198-D200 PolarHBondContact O-N 3.43Å; S198-D200 VanDerWaalsContact O-N 3.09Å; S198-D200 PolarHBondContact OG-OD1 2.87Å
199N26.7Very low27.8Very low159 Ų159145.3 Ų145.385%0.8579%0.785SS**  trans-81.174.7171.2-68.7-70.2000109.6V197 G201V197-N199 PolarHBondContact O-N 2.94Å; N199-G201 PolarHBondContact O-N 3.46Å
200D31Very low27.7Very low137 Ų137142.9 Ų142.973%0.73378%0.778SS**  trans-73.1119.8171.7-74.6-23.4000110.1S198 L202S198-D200 VanDerWaalsContact C-N 3.3Å; S198-D200 PolarHBondContact O-N 3.43Å; S198-D200 VanDerWaalsContact O-N 3.09Å; S198-D200 PolarHBondContact OG-OD1 2.87Å; D200-L202 PolarHBondContact O-N 3.43Å
201G24Very low27.4Very low74 Ų74144.8 Ų144.876%0.76378%0.783SS**  trans-60.4117.1-174.700000113.3N199 L203N199-G201 PolarHBondContact O-N 3.46Å; G201-L203 PolarHBondContact O-N 2.94Å
202L27.9Very low27.3Very low157 Ų157149.8 Ų149.882%0.82279%0.786SS**  trans-95.382.7160.9-67.8178.9000109D200 I204D200-L202 PolarHBondContact O-N 3.43Å; L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 HydrophobicContact CB-CG1 4.41Å; L202-I204 PolarHBondContact O-N 3.26Å
203L26.2Very low27.4Very low157 Ų157144 Ų14482%0.82278%0.778SS**  trans-69.281.5166.7-16289.7000108.3G201 Q205G201-L203 PolarHBondContact O-N 2.94Å; L203-Q205 PolarHBondContact O-N 3.42Å
204I31.1Very low27.5Very low154 Ų154143.6 Ų143.679%0.7978%0.777SS**  trans-76.9100.5177.9-56.6176.4000108L202 E206L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 HydrophobicContact CB-CG1 4.41Å; L202-I204 PolarHBondContact O-N 3.26Å; I204-E206 PolarHBondContact O-N 2.82Å
205Q25.3Very low27.3Very low151 Ų151142 Ų14271%0.70677%0.769SS**  trans-58.5123175.1-72.6-178.7-14.300111.5L203 K207L203-Q205 PolarHBondContact O-N 3.42Å; Q205-K207 PolarHBondContact O-N 3.45Å; Q205-K207 VanDerWaalsContact O-N 3.17Å
206E23.3Very low27.1Very low162 Ų162143.4 Ų143.476%0.75778%0.776SS**  trans-61105.9165.2-114.1-177.6130.800109.7I204 H208I204-E206 PolarHBondContact O-N 2.82Å; E206-H208 PolarHBondContact O-N 3.43Å; E206-H208 IonicContact OE1-CE1 3.65Å
207K30.4Very low27.3Very low192 Ų192143.8 Ų143.884%0.83578%0.778SS**  trans-86.497.3166.9-78.6-164.4175.3-176.10109.4Q205 S209Q205-K207 PolarHBondContact O-N 3.45Å; Q205-K207 VanDerWaalsContact O-N 3.17Å; K207-S209 PolarHBondContact O-N 2.97Å
208H25.7Very low27.2Very low149 Ų149144 Ų14469%0.6978%0.779SS**  trans-65.7118.4160-58.1-65.6000108.4E206 P210E206-H208 PolarHBondContact O-N 3.43Å; E206-H208 IonicContact OE1-CE1 3.65Å; H208-P210 WeakPolarHBondContact O-CD 3.42Å
209S23.8Very low27.2Very low123 Ų123145.7 Ų145.786%0.8679%0.788SS**  trans-108.2106.4169.3-154.20000108.4K207K207-S209 PolarHBondContact O-N 2.97Å
210P25.9Very low27.4Very low99 Ų99148.3 Ų148.364%0.64379%0.792SS**  trans-86.4150176.8-9.328.8000112.3H208H208-P210 WeakPolarHBondContact O-CD 3.42Å
211L24.2Very low27.1Very low158 Ų158151.2 Ų151.283%0.82780%0.798SS**  trans77.8110.2150.9-56.4165.4000119.2
212H24.5Very low27.4Very low179 Ų179153.3 Ų153.383%0.82980%0.801SS**  -157.9109.9126.8-128.9-69.3000111.2
213P28.2Very low27.4Very low112 Ų112151.9 Ų151.973%0.72780%0.799SS**  trans-82.5122.5163.423.6-14.4000108.8
214Q29Very low27.3Very low178 Ų178151.1 Ų151.183%0.83280%0.796SS**  trans-106.1109.1177.9-148.5-171.825.400110.4
215N27.4Very low27.2Very low129 Ų129152.2 Ų152.269%0.6980%0.802SS**  trans36.1103.3144.8-60.6-11.8000120.1L217N215-L217 PolarHBondContact O-N 3.35Å
216N27.1Very low27.3Very low162 Ų162150.7 Ų150.787%0.86681%0.808SS**  12.9102.8123.3-63.3-35.7000117
217L34.1Very low27.5Very low174 Ų174148.3 Ų148.391%0.91181%0.809SS**  trans-113124.1148.7-90116.1000109.2N215N215-L217 PolarHBondContact O-N 3.35Å
218T26.6Very low27.3Very low131 Ų131143.7 Ų143.780%0.80481%0.807SS**  trans-68.7146.5-171.835.20000113.1
219P29.7Very low27.4Very low123 Ų123142.3 Ų142.380%0.79981%0.809SS**  trans-84.1127.1-178.43.415.2000111.4K221P219-K221 PolarHBondContact O-N 3.04Å
220K29.9Very low27.7Very low213 Ų213144.7 Ų144.793%0.92681%0.808SS**  trans-75.1113.2166.6-85.6-173.5174.2179.10110
221K25.7Very low27.8Very low198 Ų198147.2 Ų147.286%0.86182%0.815SS**  trans-63.5115.9169.3-168.1174.8-175.2177.80109.5P219P219-K221 PolarHBondContact O-N 3.04Å
222S28.6Very low28.1Very low119 Ų119144.9 Ų144.983%0.83281%0.809SS**  trans-118.2136.6163.363.30000110
223V29Very low28.2Very low126 Ų126143 Ų14376%0.76481%0.81SS**  trans-89.2145.2-160.5170.30000111.8
224N24.2Very low28.2Very low142 Ų142144 Ų14476%0.75982%0.815SS**  trans-22.8133.7167-70.2-36.9000117.6
225L29.2Very low28.2Very low176 Ų176141.8 Ų141.892%0.92181%0.808SS**  trans-136.899.5143.4-80.9165.6000108.1S227L225-S227 PolarHBondContact O-N 3.37Å
226S27.5Very low28.2Very low120 Ų120141.2 Ų141.284%0.83981%0.811SS**  trans-70.1118.3165.1-76.60000108.9
227S27.2Very low28.2Very low111 Ų111140 Ų14078%0.77681%0.805SS**  trans-119.5100.7163.1175.80000107.3L225L225-S227 PolarHBondContact O-N 3.37Å
228A26.8Very low27.8Very low96 Ų96139 Ų13979%0.79380%0.798SS**  trans-98.9106.6169.200000107.2
229V27.3Very low27.9Very low119 Ų119138.1 Ų138.172%0.72180%0.795SS**  trans-142.4109.5169.3178.40000110.5
230M29.2Very low27.7Very low173 Ų173140 Ų14085%0.85279%0.794SS**  trans51.8105.3146-60.4-142.4-79.400120.6
231I28.6Very low27.5Very low152 Ų152135 Ų13578%0.77979%0.792SS**  trans-73.9127.2154.7-58.6168.7000108.2V233I231-V233 PolarHBondContact O-N 2.84Å
232P29.5Very low27.5Very low110 Ų110130.6 Ų130.671%0.71479%0.786SS**  trans-73.3114.2168.5-11.226.5000110.2T234P232-T234 PolarHBondContact O-N 3.39Å
233V27.2Very low27.3Very low139 Ų139133.5 Ų133.584%0.84279%0.786SS**  trans-78.4105.3167.1-1790000107.2I231I231-V233 PolarHBondContact O-N 2.84Å
234T29.1Very low27Very low134 Ų134132.2 Ų132.282%0.82279%0.789SS**  trans-1101221687.40000109.6P232P232-T234 PolarHBondContact O-N 3.39Å
235N28.4Very low27.1Very low130 Ų130132.9 Ų132.970%0.69579%0.789SS**  trans-74.6125.5-166.6-162-6.9000111.2N237N235-N237 PolarHBondContact O-N 2.82Å
236P27.7Very low26.7Very low117 Ų117132.3 Ų132.376%0.7679%0.786SS**  trans-9089.1173.833.5-27.9000108.8
237N26.4Very low26.8Very low136 Ų136132.6 Ų132.673%0.72778%0.782SS**  trans-147.3134.8168.3-105.1-28.9000111.3N235N235-N237 PolarHBondContact O-N 2.82Å
238M26Very low26.8Very low155 Ų155132.9 Ų132.976%0.76478%0.782SS**  trans87.2109.8165.5-51.7-126.265.100117
239C28.6Very low26.7Very low111 Ų111137.9 Ų137.975%0.7579%0.786SS**  159.191.7123.9-80.80000108
240Q26.6Very low27.1Very low164 Ų164137.4 Ų137.477%0.76679%0.785SS**  77.2106.1103.6-79-172.83.100113.7S242Q240-S242 PolarHBondContact O-N 3.43Å
241A24Very low27Very low107 Ų107134.5 Ų134.588%0.88478%0.782SS**  trans-53.2123.3160.400000109.9
242S26.4Very low27.3Very low106 Ų106134 Ų13474%0.74178%0.781SS**  trans-134.9115.6167.5-79.10000110.2Q240Q240-S242 PolarHBondContact O-N 3.43Å
243Q24.3Very low27.3Very low180 Ų180134 Ų13484%0.84178%0.783SS**  trans52.6109.6154.2-76.3-179.110.400120.1M245Q243-M245 PolarHBondContact O-N 2.84Å
244A22.4Very low27.7Very low98 Ų98135 Ų13581%0.8178%0.783SS**  trans-63.9107.2152.400000110.1
245M25.8Very low28.1Very low157 Ų157134.3 Ų134.377%0.77378%0.778SS**  trans-86.2113.3160.9-81.8-148.872.800109.5Q243 V247Q243-M245 PolarHBondContact O-N 2.84Å; M245-V247 PolarHBondContact O-N 3.03Å
246L22.3Very low28.5Very low164 Ų164132.2 Ų132.286%0.85977%0.774SS**  trans-57.4112.6163.6-10173.8000108.7
247V28.1Very low29Very low125 Ų125131.9 Ų131.976%0.75877%0.77SS**  trans-107.3128.4166179.90000108.8M245M245-V247 PolarHBondContact O-N 3.03Å
248P27.3Very low29.5Very low118 Ų118132.8 Ų132.877%0.76677%0.769SS**PPolyproline II helixtrans-63.3139.7-174.7-20.131.6000113.2P250P248-P250 WeakPolarHBondContact O-CD 3.46Å
249K26.1Very low30.1Very low200 Ų200134.9 Ų134.987%0.8777%0.769SS**PPolyproline II helixtrans-68.3117.3-177.6-169.7167.5-175.8166.60110.9S251K249-S251 PolarHBondContact O-N 3.34Å
250P34.2Very low30.8Very low110 Ų110135.8 Ų135.871%0.71477%0.766SS**PPolyproline II helixtrans-70.8120.3169.926.8-29.9000109.3P248 N252P248-P250 WeakPolarHBondContact O-CD 3.46Å; P250-N252 VanDerWaalsContact C-N 3.29Å; P250-N252 PolarHBondContact O-N 3.48Å
251S28.8Very low31.2Very low111 Ų111136.9 Ų136.978%0.77676%0.763SS**  trans-66.783.1169.652.10000109.8K249K249-S251 PolarHBondContact O-N 3.34Å
252N33.2Very low32.2Very low143 Ų143141.6 Ų141.677%0.76576%0.757SS**  trans-149.977.8164.2-85.2-36.2000107.6P250 L254P250-N252 VanDerWaalsContact C-N 3.29Å; P250-N252 PolarHBondContact O-N 3.48Å; N252-L254 PolarHBondContact O-N 3.02Å
253S30.7Very low32.7Very low110 Ų110145.3 Ų145.377%0.76976%0.76SS**  trans-74.476.4166.971.90000108.4V255S253-V255 PolarHBondContact O-N 3.23Å
254L36.2Very low33.4Very low160 Ų160143.1 Ų143.184%0.83875%0.754SS**  trans-59.498.2147-76.5169.2000104.6N252 S256N252-L254 PolarHBondContact O-N 3.02Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.37Å
255V36.3Very low34.4Very low118 Ų118142.3 Ų142.372%0.71575%0.747SS**  trans-54.698.9179175.30000106.4S253 T257S253-V255 PolarHBondContact O-N 3.23Å; V255-T257 PolarHBondContact O-N 2.96Å
256S37.2Very low35Very low86 Ų86145.4 Ų145.460%0.60175%0.75SS**  trans-56.3108174.2-178.20000107L254 H258L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.37Å; S256-H258 PolarHBondContact O-N 2.75Å
257T37.9Very low35.9Very low110 Ų110142.6 Ų142.668%0.67574%0.742SS**G310 helixtrans-64.910.4-179.441.70000113.1V255 R259V255-T257 PolarHBondContact O-N 2.96Å; T257-R259 VanDerWaalsContact C-N 3.31Å; T257-R259 PolarHBondContact O-N 2.83Å
258H38.2Very low36.5Very low156 Ų156147.6 Ų147.672%0.72275%0.749SS**G310 helixtrans-77.51.9-176-85.6-76.8000116.1S256S256-H258 PolarHBondContact O-N 2.75Å
259R38.7Very low37.2Very low199 Ų199145.7 Ų145.775%0.75175%0.751SS**G310 helixtrans-1112.7-177-90.2-170.5175.8-151.12.6117.6T257T257-R259 VanDerWaalsContact C-N 3.31Å; T257-R259 PolarHBondContact O-N 2.83Å
260L41.9Very low37.9Very low130 Ų130140.8 Ų140.868%0.68174%0.737SS**G310 helixtrans-80.1-19.7-178.6-71.2172.1000114.5R262 K263L260-R262 VanDerWaalsContact C-N 3.35Å; L260-R262 PolarHBondContact O-N 2.84Å; L260-K263 PolarHBondContact O-N 2.7Å
261W35.4Very low38.2Very low187 Ų187141.3 Ų141.371%0.70874%0.738SS**G310 helixtrans-73.7-20.1-175.7-55102.6000114.8K263 L264W261-K263 VanDerWaalsContact C-N 3.29Å; W261-K263 PolarHBondContact O-N 3.04Å; W261-L264 HydrophobicContact CE3-CD1 4.34Å; W261-L264 HydrophobicContact CZ3-CD1 4.5Å
262R44Very low38.9Very low205 Ų205143 Ų14377%0.77474%0.738SS**G310 helixtrans-70.7-22.9177.5-83.5-171-161.8158.54.8113.5L260L260-R262 VanDerWaalsContact C-N 3.35Å; L260-R262 PolarHBondContact O-N 2.84Å
263K38.2Very low39.2Very low185 Ų185143.4 Ų143.480%0.80474%0.735SS**G310 helixtrans-84.6-10.5-177.3-71.5-160174.2-170.40114.4L260 W261L260-K263 PolarHBondContact O-N 2.7Å; W261-K263 VanDerWaalsContact C-N 3.29Å; W261-K263 PolarHBondContact O-N 3.04Å
264L39.6Very low39.7Very low133 Ų133143.1 Ų143.170%0.69673%0.731SS**G310 helixtrans-89.3-8.3179-63.8178.9000113.9W261 R266W261-L264 HydrophobicContact CE3-CD1 4.34Å; W261-L264 HydrophobicContact CZ3-CD1 4.5Å; L264-R266 PolarHBondContact O-N 3.47Å
265A42.2Very low39.9Very low81 Ų81140 Ų14067%0.66972%0.722SS**SBendtrans-87.2-0.1-172.100000114.9
266R38Very low40Very low222 Ų222143 Ų14384%0.83873%0.729SS**  trans-136.697.8175.7-66-168.1-177.7-176.30.8110.2L264 Y268L264-R266 PolarHBondContact O-N 3.47Å; R266-Y268 PolarHBondContact O-N 3.16Å
267P41.5Very low39.9Very low106 Ų106147.3 Ų147.369%0.68874%0.737SS**  trans-55.9133.4158.1-6.619.6000107.5G269P267-G269 PolarHBondContact O-N 3.19Å
268Y41.1Very low39.9Very low229 Ų229147.7 Ų147.790%0.89874%0.742SS**THydrogen-bonded Turntrans-41.3128.8175.8-79.2-104.1000111.9R266 V270R266-Y268 PolarHBondContact O-N 3.16Å; Y268-V270 VanDerWaalsContact C-N 3.28Å; Y268-V270 PolarHBondContact O-N 3.22Å
269G41.2Very low39.7Very low79 Ų79151.7 Ų151.781%0.81475%0.75SS**THydrogen-bonded Turntrans690.8151.900000119.3P267 T271P267-G269 PolarHBondContact O-N 3.19Å; G269-T271 PolarHBondContact O-N 3.36Å; G269-T271 VanDerWaalsContact O-N 3.12Å
270V42.4Very low39.6Very low96 Ų96147.1 Ų147.158%0.58275%0.748SS**  trans-87.888.8177.4-156.10000109.3Y268 L272Y268-V270 VanDerWaalsContact C-N 3.28Å; Y268-V270 PolarHBondContact O-N 3.22Å; V270-L272 HydrophobicContact CB-CG 4.27Å; V270-L272 HydrophobicContact CG1-CD1 4.5Å; V270-L272 HydrophobicContact CG1-CD2 3.47Å; V270-L272 VanDerWaalsContact CG1-CD2 3.47Å; V270-L272 HydrophobicContact CG1-CG 3.61Å; V270-L272 PolarHBondContact O-N 3.49Å
271T39.7Very low39.5Very low121 Ų121146.5 Ų146.574%0.74275%0.752SS**  trans-64.479161.9-29.10000107.1G269 Q273G269-T271 PolarHBondContact O-N 3.36Å; G269-T271 VanDerWaalsContact O-N 3.12Å; T271-Q273 PolarHBondContact O-N 3.42Å
272L43.3Very low39.6Very low147 Ų147142 Ų14277%0.7775%0.749SS**  trans-71.878.2168.9-67.1175.6000106.7V270V270-L272 HydrophobicContact CB-CG 4.27Å; V270-L272 HydrophobicContact CG1-CD1 4.5Å; V270-L272 HydrophobicContact CG1-CD2 3.47Å; V270-L272 VanDerWaalsContact CG1-CD2 3.47Å; V270-L272 HydrophobicContact CG1-CG 3.61Å; V270-L272 PolarHBondContact O-N 3.49Å
273Q39.1Very low39.3Very low151 Ų151138.1 Ų138.171%0.70675%0.748SS**  trans-54.9126.7158.6-79.9-69.4-3.400106.1T271 S275T271-Q273 PolarHBondContact O-N 3.42Å; Q273-S275 PolarHBondContact O-N 3.08Å
274P41.1Very low39.3Very low104 Ų104135.6 Ų135.668%0.67574%0.744SS**  trans-55.4120.1172.623.2-30.7000106.7E276P274-E276 PolarHBondContact O-N 3.02Å
275S41.6Very low39Very low94 Ų94133.6 Ų133.666%0.65774%0.737SS**  trans-51.4112.2169.4-177.20000106.2Q273 F277Q273-S275 PolarHBondContact O-N 3.08Å; S275-F277 VanDerWaalsContact C-N 3.3Å; S275-F277 WeakPolarHBondContact O-CD2 3.33Å; S275-F277 PolarHBondContact O-N 3.08Å
276E37.1Very low38.6Very low183 Ų183135 Ų13586%0.85574%0.741SS**  trans-58.3102172.8-82.5170.6152.900106.2P274 P278P274-E276 PolarHBondContact O-N 3.02Å; E276-P278 WeakPolarHBondContact O-CD 3.49Å
277F35.6Very low38.4Very low175 Ų175132.6 Ų132.677%0.76874%0.737SS**  trans-61.7125.2174.4-83.9-89.4000106.5S275 R279S275-F277 VanDerWaalsContact C-N 3.3Å; S275-F277 WeakPolarHBondContact O-CD2 3.33Å; S275-F277 PolarHBondContact O-N 3.08Å; F277-R279 PolarHBondContact O-N 3.43Å
278P39Very low37.8Very low119 Ų119133.3 Ų133.377%0.77375%0.745SS**  trans-59.7108.8171.223.4-30.3000106.9E276 S280E276-P278 WeakPolarHBondContact O-CD 3.49Å; P278-S280 PolarHBondContact O-N 3Å; P278-S280 VanDerWaalsContact O-N 3.12Å
279R33Very low37.5Very low240 Ų240129.7 Ų129.791%0.90674%0.741SS**  trans-66.1113.1168.1-64.2-175.8-160.4172.17.1105F277F277-R279 PolarHBondContact O-N 3.43Å
280S35.9Very low37.2Very low102 Ų102131.1 Ų131.171%0.71374%0.739SS**  trans-51.6130.3169.748.20000108.4P278 S282P278-S280 PolarHBondContact O-N 3Å; P278-S280 VanDerWaalsContact O-N 3.12Å; S280-S282 PolarHBondContact O-N 2.82Å
281P40Very low36.8Very low117 Ų117133.9 Ų133.976%0.7675%0.75SS**  trans-54.1132.8176.818.8-28.9000109.5V283P281-V283 PolarHBondContact O-N 2.96Å
282S38Very low36.2Very low92 Ų92131.9 Ų131.964%0.64375%0.753SS**  trans-37.4110.6173.2176.20000110S280 D284S280-S282 PolarHBondContact O-N 2.82Å; S282-D284 PolarHBondContact O-N 2.98Å; S282-D284 VanDerWaalsContact O-N 3.14Å; S282-D284 PolarHBondContact OG-OD1 3.33Å
283V37.9Very low35.7Very low124 Ų124132 Ų13275%0.75276%0.755SS**  trans-73103.3162.1174.60000104.6P281 V285P281-V283 PolarHBondContact O-N 2.96Å; V283-V285 VanDerWaalsContact C-N 3.26Å; V283-V285 HydrophobicContact CG1-CG2 4.24Å; V283-V285 PolarHBondContact O-N 3.35Å
284D37.8Very low35.1Very low133 Ų133128.8 Ų128.871%0.71176%0.762SS**  trans-65.188.1176.1-67.2-28.6000108.9S282 S286S282-D284 PolarHBondContact O-N 2.98Å; S282-D284 VanDerWaalsContact O-N 3.14Å; S282-D284 PolarHBondContact OG-OD1 3.33Å; D284-S286 PolarHBondContact O-N 3.34Å
285V33.7Very low34.8Very low91 Ų91131.5 Ų131.555%0.55277%0.77SS**  trans-72.696.9171.3-176.70000106.9V283 F287V283-V285 VanDerWaalsContact C-N 3.26Å; V283-V285 HydrophobicContact CG1-CG2 4.24Å; V283-V285 PolarHBondContact O-N 3.35Å; V285-F287 HydrophobicContact CB-CD2 4.43Å; V285-F287 HydrophobicContact CB-CE2 3.87Å; V285-F287 HydrophobicContact CB-CZ 4.26Å; V285-F287 HydrophobicContact CG1-CD1 4.46Å; V285-F287 HydrophobicContact CG1-CD2 4.01Å; V285-F287 HydrophobicContact CG1-CE1 3.99Å; V285-F287 HydrophobicContact CG1-CE2 3.49Å; V285-F287 VanDerWaalsContact CG1-CE2 3.49Å; V285-F287 HydrophobicContact CG1-CG 4.47Å; V285-F287 HydrophobicContact CG1-CZ 3.49Å; V285-F287 VanDerWaalsContact CG1-CZ 3.49Å; V285-F287 VanDerWaalsContact O-CD2 3.28Å; V285-F287 WeakPolarHBondContact O-CD2 3.34Å; V285-F287 PolarHBondContact O-N 2.89Å; V285-F287 VanDerWaalsContact O-N 3.11Å
286S34Very low34.3Very low109 Ų109132.6 Ų132.676%0.76278%0.778SS**  trans-67.9103.5171.3-71.30000109.1D284D284-S286 PolarHBondContact O-N 3.34Å
287F33.3Very low34.3Very low173 Ų173128.6 Ų128.676%0.75977%0.77SS**  trans-84.8108.7167.9-67.2-82.3000108.7V285 N289V285-F287 HydrophobicContact CB-CD2 4.43Å; V285-F287 HydrophobicContact CB-CE2 3.87Å; V285-F287 HydrophobicContact CB-CZ 4.26Å; V285-F287 HydrophobicContact CG1-CD1 4.46Å; V285-F287 HydrophobicContact CG1-CD2 4.01Å; V285-F287 HydrophobicContact CG1-CE1 3.99Å; V285-F287 HydrophobicContact CG1-CE2 3.49Å; V285-F287 VanDerWaalsContact CG1-CE2 3.49Å; V285-F287 HydrophobicContact CG1-CG 4.47Å; V285-F287 HydrophobicContact CG1-CZ 3.49Å; V285-F287 VanDerWaalsContact CG1-CZ 3.49Å; V285-F287 VanDerWaalsContact O-CD2 3.28Å; V285-F287 WeakPolarHBondContact O-CD2 3.34Å; V285-F287 PolarHBondContact O-N 2.89Å; V285-F287 VanDerWaalsContact O-N 3.11Å; F287-N289 PolarHBondContact O-N 3.39Å
288S29.9Very low34.5Very low121 Ų121125.6 Ų125.685%0.84677%0.766SS**  trans-71.392.2167.8-66.30000109.2S290S288-S290 PolarHBondContact O-N 3.14Å
289N34.4Very low34.4Very low152 Ų152126.4 Ų126.481%0.81376%0.764SS**  trans-82.9103167.3-101.8-4.7000109F287 N291F287-N289 PolarHBondContact O-N 3.39Å; N289-N291 PolarHBondContact O-N 2.97Å
290S34Very low34.6Very low110 Ų110121.1 Ų121.177%0.76975%0.754SS**  trans-72.775.9167.4580000109.4S288S288-S290 PolarHBondContact O-N 3.14Å
291N33.7Very low34.6Very low153 Ų153127.4 Ų127.482%0.81876%0.762SS**SBendtrans-155.9108.5158.4-89.1-30.7000107.2N289 N293N289-N291 PolarHBondContact O-N 2.97Å; N291-N293 PolarHBondContact O-N 3.06Å
292G28.3Very low34.6Very low79 Ų79129.8 Ų129.881%0.81477%0.765SS**  trans-57110.7178.300000110.6
293N32.3Very low34.8Very low151 Ų151132.6 Ų132.681%0.80777%0.772SS**  trans-176.7100134.1-96.512000106.5N291 L295N291-N293 PolarHBondContact O-N 3.06Å; N293-L295 PolarHBondContact O-N 2.77Å
294G27.2Very low35Very low83 Ų83134.4 Ų134.486%0.85678%0.776SS**  trans-6498.5173.100000109.8
295L33.6Very low35.3Very low161 Ų161131.8 Ų131.884%0.84377%0.774SS**  trans-112.9102.6157.6-68.1177.1000106.8N293N293-L295 PolarHBondContact O-N 2.77Å
296S32.6Very low35.8Very low117 Ų117132 Ų13282%0.81877%0.771SS**  trans-66.6141169.5-174.40000109.5
297S36.3Very low36.3Very low99 Ų99131.7 Ų131.769%0.69277%0.767SS**  trans67.7123.6169-155.60000113.8
298T39.1Very low37Very low111 Ų111127.7 Ų127.768%0.68176%0.761SS**  cis-164.8149.242.7-39.70000106.7N300T298-N300 PolarHBondContact O-N 3.17Å
299D37.8Very low37.7Very low136 Ų136127.2 Ų127.273%0.72775%0.752SS**  trans-46.390.1-178.5-149.9-12.4000114.6R301D299-R301 PolarHBondContact O-N 3.4Å
300N36.1Very low38.1Very low129 Ų129126 Ų12669%0.6975%0.745SS**  trans-83.716.1178.9-83.5-27.9000113.8T298 M302T298-N300 PolarHBondContact O-N 3.17Å; N300-M302 PolarHBondContact O-N 3.47Å
301R37.7Very low38.4Very low235 Ų235126 Ų12689%0.88774%0.742SS**THydrogen-bonded Turntrans-76.55179.9-75.2-169.6173.9-167.71.1115D299D299-R301 PolarHBondContact O-N 3.4Å
302M38.7Very low39Very low167 Ų167123.9 Ų123.982%0.82374%0.737SS**THydrogen-bonded Turntrans-115.716.1-178.8-76-107.5-65.300114.7N300 L304N300-M302 PolarHBondContact O-N 3.47Å; M302-L304 PolarHBondContact O-N 3.09Å
303L42.8Very low39.8Very low151 Ų151125.4 Ų125.479%0.79173%0.732SS**  trans-73.468.5163.5-62.9-178.4000109.3A305L303-A305 PolarHBondContact O-N 3Å
304L42.1Very low40.1Very low161 Ų161128 Ų12884%0.84374%0.736SS**  trans-50.4108.6155.6-132.374.6000105M302 D306M302-L304 PolarHBondContact O-N 3.09Å; L304-D306 PolarHBondContact O-N 3.35Å; L304-D306 VanDerWaalsContact O-N 3.08Å
305A44Very low40.8Very low79 Ų79129.3 Ų129.365%0.65373%0.728SS**  trans-47.6120.9178.100000108.5L303 P307L303-A305 PolarHBondContact O-N 3Å; A305-P307 WeakPolarHBondContact O-CD 3.3Å; A305-P307 VanDerWaalsContact O-N 3.1Å
306D43.3Very low40.9Very low94 Ų94132.5 Ų132.550%0.50373%0.728SS.*  trans-49.9119.5177.6177.90000108.3L304 S308 V309L304-D306 PolarHBondContact O-N 3.35Å; L304-D306 VanDerWaalsContact O-N 3.08Å; D306-S308 PolarHBondContact O-N 2.68Å; D306-S308 WeakPolarHBondContact OD1-CB 3.47Å; D306-S308 PolarHBondContact OD1-N 2.85Å; D306-S308 PolarHBondContact OD1-OG 3.03Å; D306-S308 PolarHBondContact OD2-OG 3.27Å; D306-V309 HydrophobicContact CB-CG2 4.33Å; D306-V309 WeakPolarHBondContact O-CG2 3.4Å; D306-V309 PolarHBondContact O-N 2.94Å
307P46.2Very low41Very low104 Ų104131.4 Ų131.468%0.67572%0.72SS**G310 helixtrans-60.6-10-178.123.7-33.5000113A305 V309 L310A305-P307 WeakPolarHBondContact O-CD 3.3Å; A305-P307 VanDerWaalsContact O-N 3.1Å; P307-V309 PolarHBondContact O-N 3.41Å; P307-L310 PolarHBondContact O-N 3.5Å
308S47Very low41.1Very low89 Ų89134.2 Ų134.262%0.62273%0.726SS**G310 helixtrans-62.2-24.3168.274.90000113.7D306D306-S308 PolarHBondContact O-N 2.68Å; D306-S308 WeakPolarHBondContact OD1-CB 3.47Å; D306-S308 PolarHBondContact OD1-N 2.85Å; D306-S308 PolarHBondContact OD1-OG 3.03Å; D306-S308 PolarHBondContact OD2-OG 3.27Å
309V44.6Very low41.1Very low111 Ų111134.3 Ų134.367%0.67373%0.727SS**G310 helixtrans-85.4-15.5-178.1-166.20000112D306 P307 P311D306-V309 HydrophobicContact CB-CG2 4.33Å; D306-V309 WeakPolarHBondContact O-CG2 3.4Å; D306-V309 PolarHBondContact O-N 2.94Å; P307-V309 PolarHBondContact O-N 3.41Å; V309-P311 WeakPolarHBondContact O-CD 3.31Å
310L42.8Very low41.2Very low126 Ų126138 Ų13866%0.6673%0.731SS**SBendtrans-85.2115175.6-67.7176.9000109.4P307P307-L310 PolarHBondContact O-N 3.5Å
311P39.7Very low41.3Very low110 Ų110139.8 Ų139.871%0.71474%0.74SS**PPolyproline II helixtrans-57.5136.717522.1-30.7000109.1V309V309-P311 WeakPolarHBondContact O-CD 3.31Å
312P46Very low41.5Very low108 Ų108133.9 Ų133.970%0.70173%0.734SS**PPolyproline II helixtrans-55.2136.8-176.219.2-30.4000109.4K314P312-K314 PolarHBondContact O-N 3.45Å
313P45Very low41.4Very low111 Ų111128.7 Ų128.772%0.72172%0.723SS**PPolyproline II helixtrans-54.3122-179.220.3-30.5000108V315P313-V315 WeakPolarHBondContact O-CG2 3.39Å; P313-V315 PolarHBondContact O-N 3.27Å
314K39.4Very low41.4Very low205 Ų205124.8 Ų124.889%0.89171%0.708SS**  trans-6285.3172.4-74.6173178.7169.80107.5P312 R316P312-K314 PolarHBondContact O-N 3.45Å; K314-R316 PolarHBondContact O-N 2.96Å
315V42Very low41.5Very low111 Ų111129.6 Ų129.667%0.67372%0.715SS**  trans-68.891170.7-147.70000104.4P313 C317P313-V315 WeakPolarHBondContact O-CG2 3.39Å; P313-V315 PolarHBondContact O-N 3.27Å; V315-C317 PolarHBondContact O-N 3.43Å
316R35.8Very low41.4Very low228 Ų228129.6 Ų129.686%0.8670%0.704SS**  trans-64.591.9159.9-75.9-174.2176.9154.4-1.5104.4K314 L318K314-R316 PolarHBondContact O-N 2.96Å; R316-L318 PolarHBondContact O-N 3Å
317C34.9Very low41.7Very low94 Ų94131.2 Ų131.264%0.63572%0.723SS**  trans-60.387.9168.8-61.70000106.2V315 T319V315-C317 PolarHBondContact O-N 3.43Å; C317-T319 WeakPolarHBondContact CB-OG1 3.47Å; C317-T319 PolarHBondContact O-N 3.24Å; C317-T319 PolarHBondContact O-OG1 3.17Å
318L38.1Very low41.9Very low158 Ų158135 Ų13583%0.82773%0.729SS**  trans-70.568.4151.6-65.1176000105R316 R320R316-L318 PolarHBondContact O-N 3Å; L318-R320 PolarHBondContact O-N 3.4Å
319T38.5Very low41.6Very low114 Ų114134.5 Ų134.570%0.69972%0.722SS**  trans-60.893.4163.6-27.70000102.8C317 D321C317-T319 WeakPolarHBondContact CB-OG1 3.47Å; C317-T319 PolarHBondContact O-N 3.24Å; C317-T319 PolarHBondContact O-OG1 3.17Å; T319-D321 PolarHBondContact O-N 3.36Å
320R39.9Very low41.4Very low214 Ų214134.7 Ų134.781%0.80873%0.725SS**  trans-54.7120.5172.2-80.8-175160.9143-4.7104.9L318 C322L318-R320 PolarHBondContact O-N 3.4Å; R320-C322 PolarHBondContact O-N 3.02Å
321D38.5Very low41.1Very low165 Ų165130.6 Ų130.688%0.88271%0.713SS**  trans-56.369.9165.7-79.6-41.8000109.4T319 G323T319-D321 PolarHBondContact O-N 3.36Å; D321-G323 PolarHBondContact O-N 3.43Å
322C41.4Very low41.2Very low112 Ų112131.4 Ų131.476%0.75772%0.719SS**  trans-85.518.1166.2-60.50000109.9R320 S324R320-C322 PolarHBondContact O-N 3.02Å; C322-S324 PolarHBondContact O-N 3.48Å
323G38.3Very low40.9Very low57 Ų57134.2 Ų134.259%0.58872%0.722SS**SBendtrans-60.5121.616600000107.9D321 R325D321-G323 PolarHBondContact O-N 3.43Å; G323-R325 PolarHBondContact O-N 2.86Å
324S41.6Very low40.6Very low69 Ų69136.3 Ų136.348%0.48373%0.727SS.*  trans-51.1112173.6-175.70000108.3C322 D326C322-S324 PolarHBondContact O-N 3.48Å; S324-D326 PolarHBondContact O-N 3.32Å; S324-D326 VanDerWaalsContact O-N 3.15Å; S324-D326 PolarHBondContact OG-O 3.33Å
325R44.5Very low40.3Very low263 Ų263134.1 Ų134.199%0.99272%0.719SS**SBendtrans-67.8-5.5175.6-92.6-170.2173.2179.4-1.8112.8G323G323-R325 PolarHBondContact O-N 2.86Å
326D41.9Very low40.2Very low78 Ų78134.7 Ų134.742%0.41772%0.722SS.*  trans-116.7109.7178.1-162.4-16.5000109.5S324 K328 V329S324-D326 PolarHBondContact O-N 3.32Å; S324-D326 VanDerWaalsContact O-N 3.15Å; S324-D326 PolarHBondContact OG-O 3.33Å; D326-K328 PolarHBondContact O-N 3.26Å; D326-K328 WeakPolarHBondContact OD1-CB 3.49Å; D326-K328 PolarHBondContact OD1-N 3.43Å; D326-V329 HydrophobicContact CB-CB 4.12Å; D326-V329 HydrophobicContact CB-CG2 3.73Å; D326-V329 PolarHBondContact O-N 3.06Å; D326-V329 WeakPolarHBondContact OD2-CG2 3.41Å
327S50.5Low40.3Very low128 Ų128128.9 Ų128.990%0.89571%0.713SS**THydrogen-bonded Turntrans-66.3-11.3174.357.30000112.5
328K50.4Low40.7Very low185 Ų185130.8 Ų130.880%0.80472%0.716SS**THydrogen-bonded Turntrans-93.4-8.9175.1-60-131178.7-169.60113.6D326 P330D326-K328 PolarHBondContact O-N 3.26Å; D326-K328 WeakPolarHBondContact OD1-CB 3.49Å; D326-K328 PolarHBondContact OD1-N 3.43Å; K328-P330 WeakPolarHBondContact O-CD 3.37Å
329V40Very low40.4Very low78 Ų78127.5 Ų127.547%0.47372%0.721SS.*SBendtrans-98.5112.5177.4-179.10000108.7D326 G331D326-V329 HydrophobicContact CB-CB 4.12Å; D326-V329 HydrophobicContact CB-CG2 3.73Å; D326-V329 PolarHBondContact O-N 3.06Å; D326-V329 WeakPolarHBondContact OD2-CG2 3.41Å; V329-G331 PolarHBondContact O-N 3.4Å
330P40Very low40.3Very low115 Ų115126.7 Ų126.775%0.74772%0.716SS**  trans-58114.5171.2-18.330.8000108.1K328K328-P330 WeakPolarHBondContact O-CD 3.37Å
331G37.9Very low40Very low40 Ų40119.7 Ų119.741%0.41270%0.699SS.*  trans-58.7163171.700000110.5V329 Q333V329-G331 PolarHBondContact O-N 3.4Å; G331-Q333 PolarHBondContact O-N 3.38Å
332P40Very low40Very low127 Ų127117.7 Ų117.783%0.82570%0.696SS**  trans-57.6100.6177.423-31.5000109.2L334P332-L334 PolarHBondContact O-N 3.17Å
333Q40Very low39.9Very low167 Ų167118.2 Ų118.278%0.7870%0.696SS**  trans-71.399.4177.6-154.8169.616.800105.3G331 H335G331-Q333 PolarHBondContact O-N 3.38Å; Q333-H335 VanDerWaalsContact C-N 3.28Å; Q333-H335 PolarHBondContact O-N 3.08Å
334L38.4Very low39.7Very low155 Ų155122.8 Ų122.881%0.81270%0.701SS**  trans-60100.1171-68.6175.2000106.2P332 V336P332-L334 PolarHBondContact O-N 3.17Å; L334-V336 VanDerWaalsContact C-N 3.3Å; L334-V336 WeakPolarHBondContact O-CG2 3.48Å; L334-V336 PolarHBondContact O-N 3.37Å
335H34.4Very low39.4Very low159 Ų159126.5 Ų126.574%0.73672%0.715SS**  trans-59.7100.8169.6-105.6-87.3000106.5Q333 T337Q333-H335 VanDerWaalsContact C-N 3.28Å; Q333-H335 PolarHBondContact O-N 3.08Å; H335-T337 HydrophobicContact CB-CG2 4.39Å; H335-T337 PolarHBondContact O-N 2.73Å
336V39.3Very low39Very low122 Ų122122.6 Ų122.674%0.73971%0.705SS**  trans-71.581.2167.3-131.80000105.3L334 N338L334-V336 VanDerWaalsContact C-N 3.3Å; L334-V336 WeakPolarHBondContact O-CG2 3.48Å; L334-V336 PolarHBondContact O-N 3.37Å; V336-N338 PolarHBondContact O-N 3.3Å
337T39Very low38.5Very low107 Ų107128.5 Ų128.566%0.65673%0.73SS**  trans-66.5113.9170.150.40000106.8H335H335-T337 HydrophobicContact CB-CG2 4.39Å; H335-T337 PolarHBondContact O-N 2.73Å
338N42.6Very low37.6Very low133 Ų133129.7 Ų129.771%0.71173%0.726SS**SBendtrans76.6121.9-179.9-46.7-31.3000112.4V336 V340V336-N338 PolarHBondContact O-N 3.3Å; N338-V340 PolarHBondContact O-N 3.11Å
339G32.6Very low36.9Very low90 Ų90126.8 Ų126.893%0.92873%0.726SS**  trans-6661.4-171.200000114.8S341G339-S341 PolarHBondContact O-N 3.11Å
340V34.8Very low36.7Very low97 Ų97133.1 Ų133.159%0.58877%0.765SS**  trans-89.1101.8169.5-170.90000105.7N338N338-V340 PolarHBondContact O-N 3.11Å
341S35.1Very low36.5Very low66 Ų66134.1 Ų134.146%0.46277%0.766SS.*  trans-53.5142.4170.747.10000109.4G339 T343G339-S341 PolarHBondContact O-N 3.11Å; S341-T343 PolarHBondContact O-N 2.75Å
342P38.1Very low36.4Very low124 Ų124139 Ų13981%0.80578%0.784SS**THydrogen-bonded Turntrans-62.40.7-174.2-22.933.1000115.8
343T39.7Very low36.2Very low123 Ų123139.7 Ų139.776%0.75578%0.782SS**THydrogen-bonded Turntrans-93-2.4-168.713.10000115.3S341 I345S341-T343 PolarHBondContact O-N 2.75Å; T343-I345 PolarHBondContact O-N 3.05Å
344Q33.6Very low36Very low152 Ų152138.1 Ų138.171%0.7178%0.782SS**  trans-10040.9178.5-71.3-172.5-15.100113.9F346Q344-F346 PolarHBondContact O-N 3.18Å
345I35.3Very low35.8Very low148 Ų148137 Ų13776%0.75978%0.781SS**SBendtrans-75.485.1164.7-56.9174.9000107.6T343T343-I345 PolarHBondContact O-N 3.05Å
346F35.6Very low35.9Very low181 Ų181135.5 Ų135.579%0.79478%0.784SS**  trans29.192.1154.4-60.6-82.5000117Q344 L348Q344-F346 PolarHBondContact O-N 3.18Å; F346-L348 PolarHBondContact O-N 3.47Å
347Q32Very low35.7Very low202 Ų202136.5 Ų136.594%0.94479%0.787SS**  trans-61.9108147.2-93.8161.5-38.900108
348L30.1Very low35.4Very low152 Ų152138.8 Ų138.880%0.79680%0.797SS**  trans-73.6137.1164.1-79.6155.4000108.1F346 T350F346-L348 PolarHBondContact O-N 3.47Å; L348-T350 PolarHBondContact O-N 3.32Å
349P35.7Very low34.9Very low124 Ų124139.3 Ų139.381%0.80580%0.804SS**  trans-62.2126.9171.2-14.527.9000109.5
350T35.8Very low35.1Very low212 Ų212143.7 Ų143.7100%1.30179%0.793SS**  trans-66.20163.540.30000111.7L348L348-T350 PolarHBondContact O-N 3.32Å

Retrieved 350 of 350 residues in 350.5 ms (Link to these results)