A0A075B7H5_PANTR Loading...

Semenogelin 1

AlphaFold DB , UniProt , Accession A0A075B7H5, Species PANTR (Pan troglodytes, Chimpanzee), Gene SEMG1, Length 463 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.9Low69.6Low194 Ų194109.4 Ų109.496%0.95657%0.569SS**  0155.10-64.9159.991.500108.4
2K57.4Low70.3Confident159 Ų159109.6 Ų109.669%0.69157%0.571SS**  trans-70.1135.8176.5-63.1179.3-179.8179.20109.5N4 I5K2-N4 PolarHBondContact O-N 3.04Å; K2-I5 HydrophobicContact CB-CD1 3.99Å; K2-I5 HydrophobicContact CB-CG1 4.21Å; K2-I5 WeakPolarHBondContact O-CB 3.35Å; K2-I5 PolarHBondContact O-N 3.32Å
3P63.6Low70.5Confident95 Ų95108.9 Ų108.962%0.61757%0.568SS**Hα-helixtrans-59.7-35-173.421.7-32.2000112.9I5 I6 F7P3-I5 PolarHBondContact O-N 3.1Å; P3-I5 VanDerWaalsContact O-N 3.12Å; P3-I6 PolarHBondContact O-N 3.3Å; P3-F7 PolarHBondContact O-N 2.93Å
4N65.4Low70.7Confident120 Ų120108.1 Ų108.164%0.64256%0.563SS**Hα-helixtrans-55.1-31.1177.2-5128.3000112.9K2 V8K2-N4 PolarHBondContact O-N 3.04Å; N4-V8 WeakPolarHBondContact O-CG2 3.23Å; N4-V8 PolarHBondContact O-N 3.33Å; N4-V8 VanDerWaalsContact O-N 3.1Å
5I72Confident70.6Confident79 Ų79107.7 Ų107.741%0.40556%0.561SS.*Hα-helixtrans-69.4-40.1179.8-59.1171.4000110.4K2 P3 V8 L9K2-I5 HydrophobicContact CB-CD1 3.99Å; K2-I5 HydrophobicContact CB-CG1 4.21Å; K2-I5 WeakPolarHBondContact O-CB 3.35Å; K2-I5 PolarHBondContact O-N 3.32Å; P3-I5 PolarHBondContact O-N 3.1Å; P3-I5 VanDerWaalsContact O-N 3.12Å; I5-V8 PolarHBondContact O-N 3.46Å; I5-L9 HydrophobicContact CG2-CD1 4.1Å; I5-L9 WeakPolarHBondContact O-CG 3.45Å; I5-L9 PolarHBondContact O-N 3.2Å; I5-L9 VanDerWaalsContact O-N 3.11Å
6I70.3Confident70.1Confident97 Ų97109.3 Ų109.350%0.49757%0.565SS.*Hα-helixtrans-65.8-44.7178.5-56.5176.1000109.3P3 V8 L9 S10P3-I6 PolarHBondContact O-N 3.3Å; I6-V8 PolarHBondContact O-N 3.14Å; I6-L9 PolarHBondContact O-N 3.09Å; I6-S10 PolarHBondContact O-N 3Å; I6-S10 PolarHBondContact O-OG 3.18Å; I6-S10 VanDerWaalsContact O-OG 3.11Å
7F73.4Confident69.4Low143 Ų143112.3 Ų112.363%0.62757%0.573SS**Hα-helixtrans-59.5-44.9177.9-175.5-108.3000113P3 S10 L11P3-F7 PolarHBondContact O-N 2.93Å; F7-S10 PolarHBondContact O-N 2.9Å; F7-L11 HydrophobicContact CD1-CD1 3.93Å; F7-L11 HydrophobicContact CE1-CD1 3.44Å; F7-L11 VanDerWaalsContact CE1-CD1 3.44Å; F7-L11 HydrophobicContact CE2-CD1 4.48Å; F7-L11 HydrophobicContact CZ-CD1 3.76Å; F7-L11 PolarHBondContact O-N 3.17Å
8V77.6Confident68.4Low88 Ų88112.6 Ų112.653%0.53357%0.571SS.*Hα-helixtrans-63.4-42.8176.8170.20000111.7N4 I5 I6 L11 L12N4-V8 WeakPolarHBondContact O-CG2 3.23Å; N4-V8 PolarHBondContact O-N 3.33Å; N4-V8 VanDerWaalsContact O-N 3.1Å; I5-V8 PolarHBondContact O-N 3.46Å; I6-V8 PolarHBondContact O-N 3.14Å; V8-L11 PolarHBondContact O-N 2.81Å; V8-L12 PolarHBondContact O-N 3.46Å
9L76.4Confident67.5Low92 Ų92110.4 Ų110.448%0.48257%0.572SS.*Hα-helixtrans-64.8-39.9176.6-70.7169.2000112.2I5 I6 L12 L13I5-L9 HydrophobicContact CG2-CD1 4.1Å; I5-L9 WeakPolarHBondContact O-CG 3.45Å; I5-L9 PolarHBondContact O-N 3.2Å; I5-L9 VanDerWaalsContact O-N 3.11Å; I6-L9 PolarHBondContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-L13 PolarHBondContact O-N 3.44Å; L9-L13 VanDerWaalsContact O-N 3.12Å
10S74.9Confident66.7Low58 Ų58109 Ų10941%0.40658%0.578SS.*Hα-helixtrans-63.2-42174.3-61.40000112.4I6 F7 I14I6-S10 PolarHBondContact O-N 3Å; I6-S10 PolarHBondContact O-OG 3.18Å; I6-S10 VanDerWaalsContact O-OG 3.11Å; F7-S10 PolarHBondContact O-N 2.9Å; S10-I14 WeakPolarHBondContact O-CD1 3.46Å; S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.4Å; S10-I14 PolarHBondContact O-N 3.29Å; S10-I14 VanDerWaalsContact O-N 3.15Å
11L78.4Confident65.9Low78 Ų78109.8 Ų109.841%0.40859%0.586SS.*Hα-helixtrans-60.9-43.7174.5-95.9162.2000112.1F7 V8 I14 L15F7-L11 HydrophobicContact CD1-CD1 3.93Å; F7-L11 HydrophobicContact CE1-CD1 3.44Å; F7-L11 VanDerWaalsContact CE1-CD1 3.44Å; F7-L11 HydrophobicContact CE2-CD1 4.48Å; F7-L11 HydrophobicContact CZ-CD1 3.76Å; F7-L11 PolarHBondContact O-N 3.17Å; V8-L11 PolarHBondContact O-N 2.81Å; L11-I14 PolarHBondContact O-N 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.35Å; L11-L15 PolarHBondContact O-N 2.91Å; L11-L15 VanDerWaalsContact O-N 3.09Å
12L78.7Confident65.3Low112 Ų112109 Ų10959%0.58658%0.583SS**Hα-helixtrans-62.4-46.1-179.4-152.572.4000111.6V8 L9 I14 L15 E16V8-L12 PolarHBondContact O-N 3.46Å; L9-L12 PolarHBondContact O-N 2.89Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 2.77Å; L12-E16 WeakPolarHBondContact O-CB 3.5Å; L12-E16 PolarHBondContact O-N 3.08Å
13L72.8Confident65Low101 Ų101104.3 Ų104.353%0.52958%0.579SS.*Hα-helixtrans-62.5-31.1175.9-80.9161.9000113.8L9L9-L13 PolarHBondContact O-N 3.44Å; L9-L13 VanDerWaalsContact O-N 3.12Å
14I72.9Confident64.2Low97 Ų97109 Ų10950%0.49759%0.593SS.*Hα-helixtrans-74.1-37.4176.4-70.6165000111.1S10 L11 L12 Q18S10-I14 WeakPolarHBondContact O-CD1 3.46Å; S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.4Å; S10-I14 PolarHBondContact O-N 3.29Å; S10-I14 VanDerWaalsContact O-N 3.15Å; L11-I14 PolarHBondContact O-N 3.28Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.49Å; I14-Q18 PolarHBondContact O-NE2 3.31Å
15L69.8Low63.4Low103 Ų103113.7 Ų113.754%0.53961%0.608SS.*Hα-helixtrans-72.1-41.6177.6-68.8169.8000112L11 L12 K17 Q18 A19L11-L15 WeakPolarHBondContact O-CG 3.35Å; L11-L15 PolarHBondContact O-N 2.91Å; L11-L15 VanDerWaalsContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 2.77Å; L15-K17 VanDerWaalsContact C-N 3.31Å; L15-K17 PolarHBondContact O-N 3.31Å; L15-Q18 PolarHBondContact O-N 3.31Å; L15-A19 PolarHBondContact O-N 3.12Å
16E62.6Low61.8Low133 Ų133113.6 Ų113.662%0.62163%0.626SS**Hα-helixtrans-55.2-44.9177-173.7-180-176.100111.8L12 Q18 A19 A20L12-E16 WeakPolarHBondContact O-CB 3.5Å; L12-E16 PolarHBondContact O-N 3.08Å; E16-Q18 PolarHBondContact O-N 2.85Å; E16-A19 PolarHBondContact O-N 2.72Å; E16-A20 PolarHBondContact O-N 3.45Å
17K56.9Low60.4Low160 Ų160113.1 Ų113.170%0.69665%0.645SS**Hα-helixtrans-66.7-19.5177.4-73.1-172.4175.4-174.40114.5L15L15-K17 VanDerWaalsContact C-N 3.31Å; L15-K17 PolarHBondContact O-N 3.31Å
18Q52.1Low58.7Low117 Ų117111.8 Ų111.855%0.54765%0.654SS.*Hα-helixtrans-85-31.8176.1-68176.435.700111.9I14 L15 E16 A20 V21I14-Q18 PolarHBondContact O-NE2 3.31Å; L15-Q18 PolarHBondContact O-N 3.31Å; E16-Q18 PolarHBondContact O-N 2.85Å; Q18-A20 VanDerWaalsContact C-N 3.34Å; Q18-A20 PolarHBondContact O-N 3.08Å; Q18-V21 PolarHBondContact O-N 2.89Å
19A50.9Low57.1Low71 Ų71118.6 Ų118.659%0.58768%0.676SS**Hα-helixtrans-61.7-41.217400000112.2L15 E16 V21 M22L15-A19 PolarHBondContact O-N 3.12Å; E16-A19 PolarHBondContact O-N 2.72Å; A19-V21 PolarHBondContact O-N 2.78Å; A19-M22 PolarHBondContact O-N 3.17Å
20A51.6Low55.1Low83 Ų83117.2 Ų117.269%0.68668%0.684SS**G310 helixtrans-62-26.6179.100000114.2E16 Q18E16-A20 PolarHBondContact O-N 3.45Å; Q18-A20 VanDerWaalsContact C-N 3.34Å; Q18-A20 PolarHBondContact O-N 3.08Å
21V49.8Very low52.9Low126 Ų126126 Ų12676%0.76471%0.708SS**G310 helixtrans-87.3-19.3-176.9177.40000112.6Q18 A19Q18-V21 PolarHBondContact O-N 2.89Å; A19-V21 PolarHBondContact O-N 2.78Å
22M44.3Very low50.8Low177 Ų177129.8 Ų129.887%0.87273%0.728SS**G310 helixtrans-98.620.9178.3-79176.251.100113.6A19A19-M22 PolarHBondContact O-N 3.17Å
23G49.9Very low48.9Very low60 Ų60130.4 Ų130.462%0.61974%0.739SS**  trans-103.78.4-166.700000118.6
24Q46.8Very low46.9Very low194 Ų194130.4 Ų130.491%0.90775%0.747SS**  trans-143.975.1-175.8-125-178.940.200115.6
25K48.3Very low44.7Very low219 Ų219135 Ų13595%0.95277%0.767SS**  trans-145.145.5162.3-152.5171.8-176.3175.90113.6
26G38.8Very low42.8Very low76 Ų76135.3 Ų135.378%0.78478%0.777SS**  trans-116.2130.9165.700000109.2
27G42.1Very low41.2Very low88 Ų88133.5 Ų133.591%0.90778%0.779SS**  trans-89.8154.7-164.700000115.5
28S36.9Very low39.9Very low115 Ų115134 Ų13480%0.80478%0.784SS**  trans-120.5122.1167.452.20000110.7G30S28-G30 PolarHBondContact O-N 3.35Å
29K43.5Very low38.8Very low230 Ų230138.1 Ų138.1100%180%0.8SS**  trans-78.791.4161.2-80.4-171.5174.6-177.50107.7
30G34.1Very low38.4Very low63 Ų63140.1 Ų140.165%0.64981%0.807SS**  trans-127.395.6-173.200000113.4S28S28-G30 PolarHBondContact O-N 3.35Å
31R30.5Very low37.4Very low243 Ų243145.8 Ų145.892%0.91782%0.82SS**  trans4.3128.1157.5-154.1178.1-167.8-154.52.9118.8
32L34.2Very low36.4Very low157 Ų157143.1 Ų143.182%0.82282%0.818SS**  trans-55.3151.6168.3-61.5170.4000113.5
33P37.4Very low35.8Very low125 Ų125144.3 Ų144.381%0.81282%0.821SS**  -100.2156.712734.6-31.4000110.9
34S31.1Very low35Very low101 Ų101151.8 Ų151.871%0.70684%0.836SS**  trans-125.3121.9-171.453.40000112.1
35E26.7Very low34.1Very low195 Ų195146 Ų14691%0.91183%0.829SS**  trans178.7147162.5-101.8158.8-162.600107.5
36S29.5Very low33.3Very low109 Ų109144 Ų14476%0.76282%0.823SS**  cis-154.7179.6-14.4680000111
37S30.5Very low32.9Very low95 Ų95149.3 Ų149.366%0.66483%0.827SS**  trans-13.2127.8173-171.10000119.9
38Q29Very low32.3Very low171 Ų171155.5 Ų155.580%0.79983%0.825SS**  -165.2117.8105.6-155.273.1-14.400111.8
39F29.6Very low32.4Very low202 Ų202156.2 Ų156.289%0.88683%0.83SS**  trans-124.7125173-113.3-74.3000110.2
40P41.8Very low31.6Very low113 Ų113148.5 Ų148.573%0.73482%0.815SS**  trans-89.8127.115631.8-27.2000110.7
41H30.8Very low31.3Very low203 Ų203154.5 Ų154.594%0.9483%0.826SS**  trans-32.3137.7173.5-129.854.9000116.9
42G28.1Very low31.9Very low70 Ų70153 Ų15372%0.72283%0.826SS**  trans-163.859.7-176.400000118.5
43Q31.7Very low31.6Very low201 Ų201149 Ų14994%0.93982%0.823SS**  trans69.1156.8163.5-55-171.20.300119.4
44K33Very low31.3Very low217 Ų217152.6 Ų152.694%0.94383%0.826SS**  trans-102144.6-178.6-62.4173.6178.9175.40110.3
45G29.5Very low31.9Very low73 Ų73157.1 Ų157.175%0.75384%0.836SS**  trans-161.170.7-179.300000116.6
46Q30Very low32.1Very low177 Ų177156.9 Ų156.983%0.82784%0.835SS**  trans47.7127.4158.4-54.8-61.4-400120.7
47H30.8Very low32.3Very low187 Ų187158.1 Ų158.187%0.86684%0.838SS**  trans-75132.5162.1-75.1-97.8000111.1
48Y30.5Very low32.4Very low219 Ų219161.5 Ų161.586%0.85984%0.843SS**  trans-135.9122151.4-94.8-81.3000111
49S37.5Very low32.6Very low130 Ų130159 Ų15991%0.90984%0.844SS**  trans-79.2122.6166.11750000108.4
50G27.6Very low33.1Very low68 Ų68158.2 Ų158.270%0.70184%0.841SS**  trans-149.668.3-165.400000115
51Q27.9Very low32.3Very low189 Ų189155 Ų15588%0.88383%0.828SS**  trans54.6131.8143.8-156167.916.500119.9G53Q51-G53 PolarHBondContact O-N 3.24Å
52K42.5Very low32.4Very low210 Ų210150.9 Ų150.991%0.91382%0.822SS**  trans-60.5104168.6-86.4-175.6172.9179.30110.9
53G27.8Very low32.4Very low73 Ų73156.9 Ų156.975%0.75383%0.829SS**PPolyproline II helixtrans-62.5152.3165.400000111.9Q51Q51-G53 PolarHBondContact O-N 3.24Å
54K32.4Very low32.3Very low201 Ų201152.8 Ų152.887%0.87482%0.822SS**PPolyproline II helixtrans-72.9165.8-179.5-63.7178.5-178.6177.70111.2Q56K54-Q56 PolarHBondContact O-N 3.31Å
55Q43.3Very low32.1Very low197 Ų197148.7 Ų148.792%0.92181%0.809SS**PPolyproline II helixtrans-47.9129.6168-68.6170.3-54.500110.2
56Q29.5Very low32Very low190 Ų190153.3 Ų153.389%0.88881%0.811SS**  trans-118.8139.3164.6-78.6-163.9-26.700110.5K54K54-Q56 PolarHBondContact O-N 3.31Å
57T34.1Very low31.9Very low135 Ų135153 Ų15383%0.82880%0.804SS**  trans-35.7148.1172.6-47.80000114.9S59T57-S59 PolarHBondContact O-N 3.06Å
58E32Very low31.9Very low166 Ų166149.2 Ų149.278%0.77679%0.794SS**  trans-46.7106.6173.9-58.7178.316200113K60E58-K60 PolarHBondContact O-N 3.14Å
59S33.5Very low31.9Very low117 Ų117147.9 Ų147.982%0.81879%0.789SS**  trans-80.9105.5169.9-174.50000109.9T57 G61T57-S59 PolarHBondContact O-N 3.06Å; S59-G61 PolarHBondContact O-N 2.97Å
60K40Very low31.6Very low187 Ų187150.3 Ų150.381%0.81379%0.785SS**  trans-76.264.2173.7-69.9-175.7177.1178.60111.4E58 S62E58-K60 PolarHBondContact O-N 3.14Å; K60-S62 PolarHBondContact O-N 3.14Å
61G26.4Very low31.9Very low45 Ų45153 Ų15346%0.46479%0.787SS.*  trans-79.998.7174.700000112.1S59 F63S59-G61 PolarHBondContact O-N 2.97Å; G61-F63 WeakPolarHBondContact O-CD2 3.34Å; G61-F63 PolarHBondContact O-N 3.3Å
62S32.1Very low32.4Very low117 Ų117151.5 Ų151.582%0.81879%0.786SS**  trans-80.9109.5171.956.40000111.1K60K60-S62 PolarHBondContact O-N 3.14Å
63F28.8Very low32Very low196 Ų196145.2 Ų145.286%0.8677%0.773SS**  trans-87.3112.5174.2-60.5-82.8000110.7G61G61-F63 WeakPolarHBondContact O-CD2 3.34Å; G61-F63 PolarHBondContact O-N 3.3Å
64S28.3Very low32.3Very low114 Ų114149.1 Ų149.180%0.79778%0.776SS**  trans-89.2115.3174.457.40000111.3
65I29.5Very low32.3Very low131 Ų131145.9 Ų145.967%0.67277%0.769SS**  trans-93113.5168.2-57176.9000108.1Y67I65-Y67 HydrophobicContact CB-CE2 4.4Å; I65-Y67 HydrophobicContact CG2-CD2 3.95Å; I65-Y67 HydrophobicContact CG2-CE2 3.52Å
66Q26.7Very low31.9Very low170 Ų170143.9 Ų143.979%0.79476%0.759SS**  trans-79.8129.9169-74.2-174.7-12.800109.9
67Y28.8Very low32.6Very low172 Ų172141.9 Ų141.968%0.67575%0.754SS**  trans-110.1103.2164.9-78.7-83.2000109.2I65 Y69I65-Y67 HydrophobicContact CB-CE2 4.4Å; I65-Y67 HydrophobicContact CG2-CD2 3.95Å; I65-Y67 HydrophobicContact CG2-CE2 3.52Å; Y67-Y69 PolarHBondContact O-N 2.87Å
68T30.1Very low32.5Very low107 Ų107143.5 Ų143.566%0.65675%0.752SS**  trans-83.199.7177.5-51.20000109.9
69Y30.6Very low32.7Very low191 Ų191141.4 Ų141.475%0.74975%0.751SS**  trans-91.2111.8169-68.3-80.1000109.7Y67 V71Y67-Y69 PolarHBondContact O-N 2.87Å; Y69-V71 PolarHBondContact O-N 3.45Å
70H32.3Very low32.6Very low181 Ų181146.5 Ų146.584%0.83875%0.753SS**  trans-77.6105.5164.4-75.1-82.6000108.8
71V32.3Very low32.2Very low123 Ų123147 Ų14775%0.74576%0.755SS**  trans-98.7110.5162.4-179.80000106.4Y69 A73Y69-V71 PolarHBondContact O-N 3.45Å; V71-A73 HydrophobicContact CG1-CB 4.42Å; V71-A73 PolarHBondContact O-N 3.33Å
72D40.1Very low32.7Very low159 Ų159150.1 Ų150.185%0.8577%0.769SS**  trans-77.3115169.5-173.612.1000108.7
73A33.4Very low32.6Very low77 Ų77152.8 Ų152.864%0.63677%0.769SS**  trans-153.3124.4176.300000108.4V71V71-A73 HydrophobicContact CG1-CB 4.42Å; V71-A73 PolarHBondContact O-N 3.33Å
74N34.5Very low32.6Very low155 Ų155152.2 Ų152.283%0.82977%0.769SS**  trans-67.9150.6176-80.6-67.2000111.9
75D32.7Very low32.6Very low133 Ų133156 Ų15671%0.71177%0.767SS**  trans81.9140.8157.6-106.6-31.1000122.3
76H33.6Very low32.6Very low155 Ų155156.2 Ų156.272%0.71877%0.769SS**  trans63.858.4156.8-57.8-10.3000119Q78H76-Q78 PolarHBondContact O-N 3.25Å
77D45.2Very low32.9Very low148 Ų148155.4 Ų155.479%0.79177%0.77SS**  29.181.8114.4-160.69000117.9
78Q32.3Very low33.4Very low169 Ų169154.2 Ų154.279%0.7978%0.775SS**  trans-135.997.4151.3-74.9-1587.500111.1H76 R80H76-Q78 PolarHBondContact O-N 3.25Å; Q78-R80 PolarHBondContact O-N 3.16Å
79T36.5Very low33.6Very low123 Ų123152.2 Ų152.276%0.75577%0.77SS**  trans-70.685175.2-63.40000111.6K81T79-K81 HydrophobicContact CG2-CG 4.43Å
80R31.4Very low33.7Very low224 Ų224151.4 Ų151.485%0.84578%0.777SS**  trans-98.291.7171.2-120.6-177.3-178.2-167.51.2111.2Q78 S82Q78-R80 PolarHBondContact O-N 3.16Å; R80-S82 PolarHBondContact O-N 3.26Å; R80-S82 VanDerWaalsContact O-N 3.12Å
81K31.3Very low33.7Very low198 Ų198150.8 Ų150.886%0.86177%0.774SS**  trans-64.8106.9169.7-66.9-178.4-179.3178.40109.8T79T79-K81 HydrophobicContact CG2-CG 4.43Å
82S35.5Very low33.7Very low109 Ų109154.1 Ų154.176%0.76278%0.779SS**  trans-94.9115.5167.345.90000110.4R80R80-S82 PolarHBondContact O-N 3.26Å; R80-S82 VanDerWaalsContact O-N 3.12Å
83Q30.2Very low33.3Very low173 Ų173153.2 Ų153.281%0.80878%0.779SS**  trans-91.7104.4156.9-75.2-177.9-18.500107.2
84Q29.5Very low33.1Very low184 Ų184156.1 Ų156.186%0.8679%0.789SS**  trans-87.1120.1174.5-176.4169.4-33.100109.2
85Y28.1Very low32.9Very low195 Ų195158.3 Ų158.377%0.76579%0.792SS**  trans-72.2134.3170.3-72.9-91.5000109.8L87Y85-L87 PolarHBondContact O-N 3.23Å; Y85-L87 VanDerWaalsContact O-N 3.08Å
86D29.2Very low32.7Very low134 Ų134157.9 Ų157.972%0.71780%0.799SS**  trans-78.989.6179.3-176.224.4000111.2N88D86-N88 PolarHBondContact O-N 3.31Å; D86-N88 VanDerWaalsContact O-N 3.14Å; D86-N88 PolarHBondContact OD2-ND2 3.47Å
87L32.9Very low32.4Very low154 Ų154159.2 Ų159.281%0.80681%0.805SS**  trans-76.493.1169.1-74.2175.1000109.6Y85 A89Y85-L87 PolarHBondContact O-N 3.23Å; Y85-L87 VanDerWaalsContact O-N 3.08Å; L87-A89 PolarHBondContact O-N 3.25Å
88N39.3Very low31.6Very low146 Ų146162.3 Ų162.378%0.78181%0.806SS**  trans-65.678.6170.8-97-86.4000111.6D86D86-N88 PolarHBondContact O-N 3.31Å; D86-N88 VanDerWaalsContact O-N 3.14Å; D86-N88 PolarHBondContact OD2-ND2 3.47Å
89A34.3Very low31.4Very low66 Ų66161.8 Ų161.855%0.54580%0.803SS.*  trans-105.4122.3169.100000109.5L87 H91L87-A89 PolarHBondContact O-N 3.25Å; A89-H91 PolarHBondContact O-CD2 3.01Å; A89-H91 PolarHBondContact O-N 3.47Å
90L33.6Very low31Very low174 Ų174163.7 Ų163.791%0.91181%0.808SS**  trans-72.784.5-170.9-177.563.8000112.5K92L90-K92 PolarHBondContact O-N 3.34Å
91H31.9Very low31.1Very low167 Ų167157.1 Ų157.177%0.77381%0.81SS**  trans-73.3113.4174.9-83.7-86.2000112.4A89A89-H91 PolarHBondContact O-CD2 3.01Å; A89-H91 PolarHBondContact O-N 3.47Å
92K31.9Very low30.8Very low193 Ų193151 Ų15184%0.83980%0.803SS**  trans-74.5141.9153.8-74.4-175.9176.8178.50109.2L90 T94L90-K92 PolarHBondContact O-N 3.34Å; K92-T94 PolarHBondContact O-N 3.38Å
93T31.6Very low30.4Very low140 Ų140151.8 Ų151.886%0.85981%0.808SS**  trans-81.8114.2-169.738.70000113.2
94T30Very low30.4Very low139 Ų139152.4 Ų152.485%0.85381%0.811SS**PPolyproline II helixtrans-85.7133.5159.8-54.10000108.7K92K92-T94 PolarHBondContact O-N 3.38Å
95K30.2Very low30.2Very low201 Ų201151.7 Ų151.787%0.87481%0.808SS**PPolyproline II helixtrans-75.3128.9-179.1-64.8179.7-178.8178.10110.1
96S29Very low30.2Very low123 Ų123149.1 Ų149.186%0.8681%0.807SS**PPolyproline II helixtrans-83.6116.5170.7-178.50000109.8
97E26.5Very low30Very low184 Ų184149.8 Ų149.886%0.8681%0.809SS**PPolyproline II helixtrans-98.3139.5164.6-173.9154.5-147.200109
98R29.2Very low29.7Very low212 Ų212150.5 Ų150.580%0.881%0.808SS**PPolyproline II helixtrans-74.6138.6-178.7-66176.8-71.5-177.9-2.5109.3
99H26.4Very low29.1Very low158 Ų158150.9 Ų150.973%0.73181%0.81SS**  -174.1146.1110.7-106.6-75.4000114.6
100L29.1Very low28.9Very low164 Ų164157.3 Ų157.386%0.85983%0.826SS**  trans65136.3157.1-61.5167.7000118.3
101G33.7Very low28.7Very low86 Ų86158 Ų15889%0.88783%0.825SS**  trans-92.5138.3-173.600000113.9
102G24.3Very low28.6Very low69 Ų69159 Ų15971%0.71183%0.829SS**  trans-138.8130.9161.300000108.6Q104G102-Q104 PolarHBondContact O-N 3.09Å
103S27.2Very low28.4Very low125 Ų125153 Ų15387%0.87482%0.823SS**  trans-72.4110.2-175.4-1690000110.9Q105S103-Q105 PolarHBondContact O-N 3.3Å
104Q30.1Very low28.6Very low186 Ų186157.2 Ų157.287%0.86982%0.823SS**  trans-81100.7171.9-72-171.2-4.500109.8G102 L106G102-Q104 PolarHBondContact O-N 3.09Å; Q104-L106 PolarHBondContact O-N 3.3Å; Q104-L106 VanDerWaalsContact O-N 3.09Å
105Q26.1Very low28.5Very low170 Ų170158.1 Ų158.179%0.79482%0.822SS**  trans-7990.6174.2-164.8168.424.700109.8S103 L107S103-Q105 PolarHBondContact O-N 3.3Å; Q105-L107 PolarHBondContact O-N 3.12Å
106L26.8Very low28.9Very low141 Ų141158.1 Ų158.174%0.73883%0.825SS**  trans-69.693.3-176.9-17471.8000111.7Q104 H108Q104-L106 PolarHBondContact O-N 3.3Å; Q104-L106 VanDerWaalsContact O-N 3.09Å; L106-H108 PolarHBondContact O-N 3.36Å; L106-H108 VanDerWaalsContact O-N 3.14Å
107L26.1Very low29.1Very low147 Ų147158.5 Ų158.577%0.7782%0.817SS**  trans-74.199.4172.9-70.1173.2000110.7Q105 N109Q105-L107 PolarHBondContact O-N 3.12Å; L107-N109 PolarHBondContact O-N 3.22Å
108H26Very low29.4Very low170 Ų170158.1 Ų158.179%0.78781%0.813SS**  trans-6699168.6-97.5-100.5000110.9L106L106-H108 PolarHBondContact O-N 3.36Å; L106-H108 VanDerWaalsContact O-N 3.14Å
109N26.2Very low29.8Very low154 Ų154153.9 Ų153.982%0.82482%0.816SS**  trans-83.4122157.9-89.6-24.9000109.4L107L107-N109 PolarHBondContact O-N 3.22Å
110K31Very low30.2Very low200 Ų200155.4 Ų155.487%0.8782%0.821SS**  trans-68.3128.8161.9-76.5-173.1174-1720108.1
111Q29.1Very low30.2Very low190 Ų190150.7 Ų150.789%0.88881%0.811SS**  trans-12193.5163.7-163153.81000108.8
112E30.2Very low30Very low186 Ų186154 Ų15487%0.86980%0.803SS**  trans-83.5113.3172.9-173.9171.8163.200108.2
113G27Very low30.3Very low68 Ų68159.3 Ų159.370%0.70181%0.807SS**  trans-166.5114-176.600000110.2
114R36.8Very low30.3Very low229 Ų229159.9 Ų159.986%0.86480%0.796SS**  trans-75.4131.8165.5-75.4165.7-85.6177.3-6.2107.6
115D27.9Very low30.3Very low157 Ų157159.7 Ų159.784%0.8479%0.787SS**  -178.2151.4111.7-85-21.7000110.9
116H38.5Very low30.4Very low201 Ų201157.2 Ų157.293%0.93178%0.783SS**  trans-92.9107.2178.2-76.5-65.1000110.8
117D32Very low30.5Very low131 Ų131153.5 Ų153.570%0.70177%0.766SS**  trans-140.4164.3158.3-142.2-14.7000113.4
118K34Very low30.6Very low176 Ų176152.3 Ų152.377%0.76576%0.759SS**  trans-75.5143.4-153.2-60.7134-162.2113.90113.4K120K118-K120 PolarHBondContact O-N 2.96Å
119S36.6Very low30.7Very low123 Ų123150.6 Ų150.686%0.8675%0.751SS**  trans-59115.3-179.641.10000113
120K35.6Very low30.9Very low191 Ų191151.4 Ų151.483%0.8375%0.75SS**  trans-101.7151.3157.7-73-178.6176.4175.90109.3K118 H122K118-K120 PolarHBondContact O-N 2.96Å; K120-H122 PolarHBondContact O-N 3.36Å
121G29.7Very low31Very low64 Ų64151.8 Ų151.866%0.6675%0.752SS**  trans-53.2130.4-160.800000115.3F123G121-F123 PolarHBondContact O-N 3.49Å; G121-F123 VanDerWaalsContact O-N 3.17Å
122H29Very low31.1Very low156 Ų156146.3 Ų146.372%0.72275%0.746SS**  trans-78.891.7173.9-76.49.4000111.2K120 H124K120-H122 PolarHBondContact O-N 3.36Å; H122-H124 PolarHBondContact O-N 3.09Å; H122-H124 PolarHBondContact O-ND1 3.25Å
123F29.7Very low31Very low180 Ų180141 Ų14179%0.78974%0.742SS**  trans-69.4113.2164.5-65-77.6000109.7G121 R125G121-F123 PolarHBondContact O-N 3.49Å; G121-F123 VanDerWaalsContact O-N 3.17Å; F123-R125 PolarHBondContact O-N 2.83Å
124H28.8Very low31.2Very low137 Ų137146.8 Ų146.863%0.63475%0.747SS**  trans-86.993.2178.6-70.768.4000109.8H122 V126H122-H124 PolarHBondContact O-N 3.09Å; H122-H124 PolarHBondContact O-ND1 3.25Å; H124-V126 PolarHBondContact O-N 3.23Å; H124-V126 VanDerWaalsContact O-N 3.14Å
125R28.4Very low30.8Very low183 Ų183140.9 Ų140.969%0.69175%0.747SS**  trans-74.3100.8171.9-170.2-174-173.1-138.2-1.6109.6F123 V127 E440F123-R125 PolarHBondContact O-N 2.83Å; R125-V127 HydrophobicContact CG-CG2 4.02Å; R125-E440 IonicContact NH2-OE2 3.97Å; R125-E440 PolarHBondContact NH2-OE2 2.96Å
126V28.6Very low30.8Very low117 Ų117142.2 Ų142.271%0.70975%0.748SS**  trans-89.4124.4166.3-1760000108.1H124 I128H124-V126 PolarHBondContact O-N 3.23Å; H124-V126 VanDerWaalsContact O-N 3.14Å; V126-I128 HydrophobicContact CG1-CD1 4.44Å; V126-I128 HydrophobicContact CG1-CG1 3.99Å
127V28.7Very low30.3Very low63 Ų63143.8 Ų143.838%0.38275%0.746SS.*  trans-109.4125.1173.6-173.90000108.1R125 H129R125-V127 HydrophobicContact CG-CG2 4.02Å; V127-H129 WeakPolarHBondContact CG1-NE2 3.4Å
128I29.5Very low29.9Very low123 Ų123148.3 Ų148.363%0.63175%0.753SS**  trans-114.1102-177.4-56-179.3000108.5V126V126-I128 HydrophobicContact CG1-CD1 4.44Å; V126-I128 HydrophobicContact CG1-CG1 3.99Å
129H27.9Very low29.7Very low134 Ų134146 Ų14662%0.6275%0.754SS**  trans-86.3115.2175.1-65.2-80.4000110.8V127 K131 D442V127-H129 WeakPolarHBondContact CG1-NE2 3.4Å; H129-K131 PolarHBondContact O-N 3.05Å; H129-D442 IonicContact ND1-OD2 3.18Å
130H30.4Very low29.3Very low171 Ų171148.2 Ų148.279%0.79275%0.75SS**  trans-81.3103175.2-71-87.4000111G132H130-G132 PolarHBondContact O-N 3Å
131K33.4Very low28.8Very low208 Ų208147 Ų14790%0.90475%0.753SS**  trans-70.4101.3170.7-77.2-166.2174-175.30110.7H129 G133H129-K131 PolarHBondContact O-N 3.05Å; K131-G133 PolarHBondContact O-N 3.14Å; K131-G133 VanDerWaalsContact O-N 3.11Å
132G30.6Very low29.1Very low75 Ų75149.8 Ų149.877%0.77376%0.76SS**  trans-56.4111.5174.100000112.3H130 K134H130-G132 PolarHBondContact O-N 3Å; G132-K134 PolarHBondContact O-N 3.37Å
133G28.5Very low29Very low75 Ų75147.6 Ų147.677%0.77376%0.762SS**  trans-72121.217700000111.3K131 A135K131-G133 PolarHBondContact O-N 3.14Å; K131-G133 VanDerWaalsContact O-N 3.11Å; G133-A135 PolarHBondContact O-N 3.09Å
134K29.7Very low29.1Very low189 Ų189148.3 Ų148.382%0.82277%0.767SS**  trans-66.8114.2172.7-70-176.1177.5-179.60109.5G132 H136G132-K134 PolarHBondContact O-N 3.37Å; K134-H136 PolarHBondContact O-CD2 3.18Å; K134-H136 PolarHBondContact O-N 3.49Å
135A29.2Very low29Very low104 Ų104149.4 Ų149.486%0.8678%0.778SS**  trans-62.8127.2173.100000110.3G133G133-A135 PolarHBondContact O-N 3.09Å
136H28.8Very low29Very low185 Ų185149.4 Ų149.486%0.85679%0.786SS**  trans-82.4142.6-179.6-80.2-96.6000112K134 W138K134-H136 PolarHBondContact O-CD2 3.18Å; K134-H136 PolarHBondContact O-N 3.49Å; H136-W138 PolarHBondContact O-N 3.25Å
137R27.7Very low29Very low235 Ų235147.4 Ų147.489%0.88779%0.789SS**  trans-74.6110.5-173.3175.9-161.3-71.2-147.2-3.7112.8
138W24.1Very low29Very low226 Ų226152.2 Ų152.286%0.85681%0.812SS**  trans-158149.8148.8-119.5-88.5000105.6H136H136-W138 PolarHBondContact O-N 3.25Å
139T29.8Very low29Very low126 Ų126152 Ų15277%0.77382%0.822SS**  cis-142.2157.327-58.30000111.3
140Q26.3Very low29.3Very low170 Ų170151.7 Ų151.779%0.79483%0.832SS**  trans-76.2151.4174.9-63.8163.6-68.200112.2
141N25.3Very low29.3Very low167 Ų167149.9 Ų149.989%0.89384%0.838SS**  trans-144.8129.2153.6-110.5-19.2000108.9
142P35.8Very low29Very low122 Ų122143.1 Ų143.179%0.79283%0.828SS**  trans-105.2117.5-17535.7-29.1000113.3
143S28.8Very low28.9Very low109 Ų109149.6 Ų149.676%0.76284%0.835SS**  trans-158.3116.4156.858.40000112.1
144Q30.4Very low28.8Very low195 Ų195149.4 Ų149.491%0.91183%0.833SS**  trans4.7123.8146.1-58.2165.7-85.400118.2
145D27.7Very low28.8Very low161 Ų161149 Ų14986%0.86184%0.838SS**  -144167.8109.7-154.1-5.2000110
146Q28.9Very low28.8Very low183 Ų183149.6 Ų149.686%0.85584%0.836SS**  trans-93.6142.3-171.8-60.3-174.9-2.600113.1
147G26.9Very low28.8Very low75 Ų75146.6 Ų146.677%0.77384%0.835SS**  trans-164.9101.4174.200000111.8
148N28.9Very low28.8Very low163 Ų163142.4 Ų142.487%0.87283%0.826SS**  trans-72.2133.5-172.9-68.4-43.6000113.1
149S29.8Very low28.8Very low118 Ų118140.9 Ų140.983%0.82582%0.821SS**  trans-156.9134.9150.3-80.90000110.3
150P35.2Very low28.6Very low128 Ų128139.2 Ų139.283%0.83182%0.815SS**  trans-81.9156.5-172.332.8-35.8000113.6
151S28.9Very low28.5Very low133 Ų133137.5 Ų137.593%0.9381%0.811SS**  trans-67.1132.11741800000112.3
152G27.2Very low28.6Very low66 Ų66135.2 Ų135.268%0.6880%0.803SS**  trans-174.5121.2174.200000114.2
153K29.2Very low28.2Very low212 Ų212139 Ų13992%0.92281%0.81SS**  trans-7.1126.4158.5-53.4162.7-175.5175.30114.7
154G26.4Very low28Very low71 Ų71142.2 Ų142.273%0.73281%0.813SS**  cis93.991.723.200000111.4
155I29Very low27.9Very low181 Ų181143.6 Ų143.693%0.92881%0.81SS**  trans-152.9157.3162.531.3172.4000108.9
156S29.1Very low27.8Very low116 Ų116143.6 Ų143.681%0.81181%0.81SS**  trans-94.8156.6-179.449.60000113
157S29.1Very low27.6Very low122 Ų122145.9 Ų145.985%0.85381%0.81SS**  trans-144.1142.614752.50000109.5
158Q27.9Very low27.6Very low147 Ų147148.2 Ų148.269%0.68781%0.81SS**  trans-122165.3170-64.2-179.8-8200107.6
159Y23.6Very low27.4Very low193 Ų193149.3 Ų149.376%0.75781%0.809SS**  trans71114.4168.5-55.9-63000113.6
160S25.8Very low27.2Very low91 Ų91146.7 Ų146.764%0.63680%0.8SS**  93.4149.769.8-78.90000111.4
161N25.6Very low26.8Very low135 Ų135149 Ų14972%0.72281%0.805SS**  cis-155.1165.12.8-111-2.2000110.6
162T26.5Very low26.7Very low119 Ų119148.4 Ų148.473%0.7380%0.801SS**  trans35.1117147-42.30000120.1
163E27.1Very low26.9Very low201 Ų201153.1 Ų153.194%0.93980%0.802SS**  trans-102.4126.6155-69.9-169.4158.500110.8
164E25.8Very low26.8Very low176 Ų176149.4 Ų149.482%0.82279%0.789SS**  trans-116.8162.4167.5-167.2170.4-159.200110.4
165R26.6Very low26.9Very low224 Ų224154 Ų15485%0.84579%0.791SS**  trans-67.9130-161-56.6152.780.1-167.19.2113.8
166L26Very low26.7Very low162 Ų162150.8 Ų150.885%0.84878%0.78SS**  trans-118.3111.8152.9-70.1169.5000107.8
167W26Very low26.6Very low230 Ų230150.3 Ų150.387%0.87178%0.776SS**  58.6101.786-92.777.3000113.9
168V26.8Very low26.6Very low125 Ų125150.9 Ų150.976%0.75878%0.775SS**  trans-89.9131.2168.5170.90000108.8
169H24.9Very low26.5Very low185 Ų185149.2 Ų149.286%0.85678%0.779SS**  trans-178.8143.4136-103.2-69.9000111.5
170G23.9Very low26.7Very low63 Ų63143.4 Ų143.465%0.64978%0.778SS**  trans115.5100148.300000117.9
171L28.2Very low26.8Very low177 Ų177143.8 Ų143.893%0.92779%0.787SS**  trans53.1109.2136.6-54.5174.2000119.6
172S26.1Very low26.9Very low120 Ų120145.6 Ų145.684%0.83979%0.791SS**  -148.6147.2114.1-161.60000111.7
173K31.5Very low27Very low165 Ų165148.9 Ų148.972%0.71780%0.795SS**  trans-84.4-177.1155.7-54.9179.7-174.21750106.9
174E26.9Very low27Very low135 Ų135142.8 Ų142.863%0.63179%0.787SS**  cis-170.6141.221.8-160.7131.7-128.800108.5
175Q27.7Very low27.2Very low167 Ų167146.8 Ų146.878%0.7879%0.794SS**  trans59.5154.6157.8-68168.636.700117.5
176T25Very low27.5Very low113 Ų113145.4 Ų145.469%0.69379%0.794SS**  cis-148.4137.46.3-4.30000106
177S27.8Very low27.7Very low106 Ų106147.2 Ų147.274%0.74180%0.798SS**  49.213296.7-41.40000114.4
178V28.2Very low27.8Very low135 Ų135140 Ų14082%0.81880%0.795SS**  cis-149.814818.6-161.50000107.4
179S27.7Very low27.8Very low111 Ų111138.1 Ų138.178%0.77680%0.801SS**  164.416181.859.60000112.2
180G26.9Very low27.9Very low72 Ų72135.2 Ų135.274%0.74280%0.802SS**  trans73.1120.6169.900000115.5
181A27.9Very low28.1Very low99 Ų99140.5 Ų140.582%0.81881%0.81SS**  cis61.812529.200000113.7
182Q28.3Very low28Very low172 Ų172137.5 Ų137.580%0.80480%0.804SS**  cis-166.1157.3-4.1-145.6-174.2-137.800112.5
183K28.5Very low28Very low188 Ų188136.4 Ų136.482%0.81780%0.796SS**  trans67.680.3142.5-152.4166.1-175.4173.30119.4
184G27.4Very low27.7Very low74 Ų74139 Ų13976%0.76380%0.803SS**  trans-66.2-145.6173.800000119.1
185R30.1Very low27.7Very low260 Ų260138 Ų13898%0.98181%0.806SS**  trans-151-179.8168.4-110.1169.3-175.9-173.2-0.2111.1
186K32.7Very low27.6Very low194 Ų194137 Ų13784%0.84381%0.805SS**  trans-98171.1-154.9-68.1-173.3171.9-1740115.6
187Q30.1Very low27.6Very low200 Ų200140.4 Ų140.494%0.93581%0.813SS**  trans82.1134.8165.6-59.9170.5-47.600115.3
188G27Very low27.7Very low78 Ų78142.1 Ų142.180%0.80482%0.819SS**  cis171.1160.1-8.100000113.4
189G26.4Very low27.8Very low86 Ų86145 Ų14589%0.88782%0.823SS**  trans104111.3178.500000113
190S28.4Very low27.8Very low125 Ų125147.2 Ų147.287%0.87482%0.822SS**  trans-95.9148.9179.2-166.70000111.8
191Q28.2Very low27.9Very low173 Ų173152 Ų15281%0.80883%0.829SS**  trans-78.8159.7163.6-55.2169.2-79.700110.3
192S25.5Very low28Very low115 Ų115152.8 Ų152.880%0.80482%0.824SS**  trans59.1157.4151.3-76.80000119.2
193S26.3Very low28.1Very low97 Ų97148.3 Ų148.368%0.67882%0.816SS**  cis-164.2176-19.748.10000109.3
194Y25.6Very low28.2Very low219 Ų219145.1 Ų145.186%0.85981%0.808SS**  trans-34.8156.7159.8-44.1-83.2000114.7
195V25.5Very low28.3Very low115 Ų115149.6 Ų149.670%0.69781%0.807SS**  cis-167.116716.783.80000112.5
196L26.1Very low28.2Very low146 Ų146144.1 Ų144.176%0.76479%0.792SS**  trans49.2136.6159.7-56.5173000118.5
197Q24.9Very low28.1Very low184 Ų184141.7 Ų141.786%0.8678%0.784SS**  -159.3171.160-85.4-175.9-20.100112.8
198T29.8Very low28.2Very low141 Ų141141.5 Ų141.587%0.86577%0.774SS**  trans-90137176.1-39.60000110.8
199E31Very low28.6Very low195 Ų195143.6 Ų143.691%0.91176%0.764SS**  trans-138.7154.7163.7-161.9160.3-138.300111.2
200E27.4Very low28.8Very low158 Ų158145.1 Ų145.174%0.73876%0.756SS**  trans-99.6143-166.7177.8-176.7174.700111.8V202E200-V202 HydrophobicContact CG-CG2 4.42Å
201L29.5Very low29.1Very low173 Ų173148.3 Ų148.391%0.90675%0.754SS**  trans-147.9130.6156.3-147.780.9000112.1
202V30.1Very low29.2Very low115 Ų115147.8 Ų147.870%0.69776%0.757SS**  trans-127.5134.3-177.41680000110.6E200E200-V202 HydrophobicContact CG-CG2 4.42Å
203A30.4Very low29.6Very low79 Ų79148.1 Ų148.165%0.65376%0.759SS**  trans71165.3171.100000116.1
204N29.1Very low30Very low120 Ų120152 Ų15264%0.64277%0.766SS**  cis-157.7145.410.2-145.2-23.6000113.5
205K30.3Very low30.4Very low169 Ų169151.2 Ų151.274%0.73577%0.77SS**  trans64.9165.9159.7-72.2147.8-171.3173.70116.6
206Q29Very low30.8Very low145 Ų145153.1 Ų153.168%0.67878%0.776SS**  cis-157.1140.923.6-162.5155.7-5700115.8
207Q29.6Very low31.1Very low143 Ų143156 Ų15667%0.66878%0.783SS**  trans66128.6150-78.6169.5-18.800120.3
208R32.3Very low31.4Very low195 Ų195150.8 Ų150.874%0.73678%0.779SS**  81.6143.474-98.3-176.5157.5177.6-16.9113.5
209E35.2Very low31.5Very low123 Ų123150.8 Ų150.858%0.57577%0.768SS**  cis-167.6162.82.2-149.5158.5-151.700113.2
210T31.9Very low31.6Very low118 Ų118150.9 Ų150.972%0.72476%0.762SS**  trans69.8156.5164.675.20000118.4
211K34.2Very low32Very low192 Ų192150.7 Ų150.784%0.83576%0.761SS**  cis-143.8167.922.7-71.8-179.6177.9174.90115.2
212N30.4Very low32Very low162 Ų162148.9 Ų148.987%0.86675%0.752SS**  trans-47.7154176-45.2-22.8000117.9
213S32.9Very low32.2Very low121 Ų121149.1 Ų149.185%0.84675%0.754SS**  -166.7163.6101.5-158.80000113.2
214H34.9Very low32.3Very low179 Ų179151.4 Ų151.483%0.82976%0.759SS**  trans-89.8152.3175.8-75.4-28.3000112.8
215Q33.4Very low32.5Very low203 Ų203152.5 Ų152.595%0.94976%0.76SS**  -157.2146.7114-108175.116.100111.5
216N33.7Very low32.9Very low155 Ų155150.2 Ų150.283%0.82976%0.76SS**  trans-158.6125-179.2-178.74.3000109.7
217K33.5Very low33.3Very low206 Ų206153.6 Ų153.690%0.89677%0.767SS**  trans165.1154.5165-94.3155.3-174.4-177.70107.8
218G30.1Very low33.7Very low75 Ų75154.2 Ų154.277%0.77377%0.77SS**  cis-132.3-162.54.200000113.8
219H33Very low33.7Very low141 Ų141153.9 Ų153.965%0.65378%0.776SS**  trans-147.2179.2-166.4-171.662.8000111.1
220Y33Very low33.7Very low197 Ų197155.5 Ų155.577%0.77378%0.784SS**  trans74.8132.1-173.1-47.1-73.4000113.6
221Q35Very low33.7Very low153 Ų153155.4 Ų155.472%0.71579%0.788SS**  cis78.8135.725.9-146.4136.121.800111.7
222N31.2Very low33.9Very low135 Ų135150.9 Ų150.972%0.72278%0.78SS**  cis-160.6-169.722.4-155.9-2000112.5
223V32.3Very low34.2Very low121 Ų121152.9 Ų152.973%0.73378%0.781SS**  trans93.199.4157.4-164.30000120.7
224V34.2Very low34.2Very low126 Ų126152.6 Ų152.676%0.76477%0.774SS**  29125.4124.9-1750000121.7
225E33.4Very low34.1Very low143 Ų143153.4 Ų153.467%0.66878%0.778SS**  -142.6149.3121.9-156.5-179.4153.800110.1R227E225-R227 IonicContact OE1-CZ 2.72Å; E225-R227 IonicContact OE1-NE 3.38Å; E225-R227 PolarHBondContact OE1-NE 3.45Å; E225-R227 IonicContact OE1-NH2 2.78Å; E225-R227 PolarHBondContact OE1-NH2 3.5Å
226V37.5Very low34Very low121 Ų121149.9 Ų149.973%0.73377%0.771SS**  trans-115126.1176.4171.40000108.8
227R38Very low33.9Very low217 Ų217148.4 Ų148.482%0.81977%0.772SS**  trans-137.6105.3163.9-67.8-167.6-176.4-113.5-7.3112.1E225E225-R227 IonicContact OE1-CZ 2.72Å; E225-R227 IonicContact OE1-NE 3.38Å; E225-R227 PolarHBondContact OE1-NE 3.45Å; E225-R227 IonicContact OE1-NH2 2.78Å; E225-R227 PolarHBondContact OE1-NH2 3.5Å
228E38.1Very low33.9Very low156 Ų156146.5 Ų146.573%0.72977%0.771SS**  trans-68.7142.5153.9168177.3-13700109.4
229E32.8Very low34.2Very low187 Ų187148.6 Ų148.687%0.87477%0.773SS**  trans-172.1173.7140-112.5-178.9-125.900112.1
230H33.3Very low34.8Very low157 Ų157147.8 Ų147.873%0.72778%0.78SS**  trans-116.6173.7-161.6-56-93000114
231S33.3Very low34.6Very low116 Ų116143 Ų14381%0.81178%0.781SS**  125.6132.6124.2-154.90000117.5
232S39.1Very low34.3Very low97 Ų97143.1 Ų143.168%0.67878%0.781SS**  trans-59.4157.5-177.951.10000117.7
233K36.4Very low34.4Very low205 Ų205143.6 Ų143.689%0.89178%0.779SS**  trans-142.892.8147.8-135.8165.3-174.3173.80109.1
234V32.1Very low34.4Very low114 Ų114145.6 Ų145.669%0.69179%0.786SS**  65.6104.797.4175.80000113.7
235Q33Very low34.3Very low197 Ų197147.9 Ų147.992%0.92179%0.786SS**  trans-154.1101.6130.6-115.8-178.310.300110.3
236T31.7Very low34.5Very low129 Ų129149.3 Ų149.379%0.79180%0.797SS**  trans-104.6126.8164.327.40000108.5
237S31.9Very low34.5Very low123 Ų123151 Ų15186%0.8680%0.797SS**PPolyproline II helixtrans-100.9140162.550.30000109.3
238L32.5Very low34.2Very low167 Ų167149 Ų14987%0.87480%0.796SS**PPolyproline II helixtrans-100.7140.4-170.9-68.8162.7000111.4
239C36.7Very low33.8Very low119 Ų119145 Ų14580%0.80480%0.797SS**PPolyproline II helixtrans-65.6170.5154.9-58.10000109.8
240P44.5Very low34.2Very low123 Ų123142.1 Ų142.180%0.79980%0.798SS**  cis-143.4-170.61943.8-24.4000116
241A28.9Very low34.3Very low96 Ų96144.2 Ų144.279%0.79381%0.805SS**  trans-136.2151.6155.900000110.1
242H29.7Very low34.3Very low157 Ų157145.3 Ų145.373%0.72780%0.801SS**  trans-75.2140.7-179.6-112.738.8000111.6
243Q34Very low34Very low144 Ų144148.9 Ų148.967%0.67381%0.811SS**  40.9117.2106.5-58.5-169.628.100114.9
244D30.7Very low33.8Very low163 Ų163147.7 Ų147.787%0.87281%0.806SS**  -138.5155.8120.2-140.3-24.6000110.4
245K33.5Very low33.7Very low175 Ų175147.6 Ų147.676%0.76181%0.811SS**  trans-109.1141175-67.5174.7-177.9170.90108.7
246L36.6Very low33.7Very low172 Ų172143.4 Ų143.490%0.90180%0.799SS**  trans-161.9165135.2-109.1165.3000111.1
247Q38.1Very low33.9Very low157 Ų157144.7 Ų144.773%0.73480%0.796SS**  trans-106.9177.8-174.2-64.3177.6-6.600111.4
248H32.3Very low33.9Very low174 Ų174145.7 Ų145.781%0.80679%0.791SS**  trans94142.6163.2-50.1-69.5000118.4
249G29.8Very low33.9Very low73 Ų73145.4 Ų145.475%0.75379%0.785SS**  trans10866.3143.700000117.6K251G249-K251 PolarHBondContact O-N 3.1Å
250S40.7Very low33.9Very low127 Ų127146 Ų14689%0.88878%0.78SS**  trans-60.7129.6157.4-48.50000110.1
251K35.5Very low33.5Very low200 Ų200146.9 Ų146.987%0.8778%0.777SS**  trans-161.4124.3165.7-113.3168.7-174.7178.90111.2G249G249-K251 PolarHBondContact O-N 3.1Å
252D31.8Very low34.2Very low139 Ų139148.5 Ų148.574%0.74378%0.777SS**  trans-73156.8173.3-52.1-82.8000112.2F254D252-F254 HydrophobicContact CB-CE2 4.23Å
253I34.5Very low34.1Very low173 Ų173150.6 Ų150.689%0.88778%0.78SS**  trans-131132.4158.9-62.3-176.7000107.7
254F32Very low33.9Very low180 Ų180149.2 Ų149.279%0.78978%0.777SS**  trans-95.5151.1-166.1-77.7-110.7000114.1D252D252-F254 HydrophobicContact CB-CE2 4.23Å
255S28.9Very low33.8Very low112 Ų112150.6 Ų150.678%0.78378%0.775SS**  trans-159.8147.6132.5-820000108.8
256T33.3Very low33.9Very low108 Ų108149.6 Ų149.666%0.66378%0.779SS**SBendcis-145.2144.517.4-19.30000111.7
257Q35.9Very low33.6Very low157 Ų157150.6 Ų150.673%0.73478%0.779SS**  trans60.6115.7158.6-72.8144-10.900118.1
258D31.3Very low33.4Very low143 Ų143150.9 Ų150.977%0.76578%0.78SS**  80.7133.858.7-67.3-42.7000112.5
259E34.3Very low33.4Very low161 Ų161151 Ų15175%0.75278%0.781SS**  cis-133.1145.912.1-78.3-166.9102.400113.9
260L36.3Very low33.4Very low132 Ų132152.5 Ų152.569%0.69178%0.775SS**  44.1150127-49.1-177.9000121.4
261L36.3Very low33.1Very low141 Ų141155.8 Ų155.874%0.73877%0.773SS**  cis-1591603.7-127.9166.2000110.8
262V42.3Very low32.9Very low131 Ų131153.6 Ų153.679%0.79477%0.771SS**  trans-120.3120.8172.5174.40000110.9
263Y29Very low32.9Very low200 Ų200154.8 Ų154.878%0.78478%0.777SS**  trans-157113162.1-118.2-94.3000107.9
264N28.8Very low32.8Very low115 Ų115152.3 Ų152.362%0.61577%0.766SS**  6795.870.4-179.918.7000115.1
265K29.3Very low32.8Very low192 Ų192151 Ų15184%0.83576%0.762SS**  -174.7151.7122.3-103169.9-176.9177.10113.1
266N34.5Very low33.1Very low155 Ų155150.9 Ų150.983%0.82975%0.752SS**  trans-80.9143.8172.8-59.9-46.4000111.6
267Q31.4Very low33.2Very low192 Ų192153 Ų15390%0.89776%0.755SS**  trans-159.2167141.5-113.5166.721.400111.5
268H33Very low33.1Very low163 Ų163152.5 Ų152.576%0.75575%0.752SS**  trans-105.9169.4-162.6-55.6-105000114
269Q31.8Very low33.1Very low177 Ų177152.5 Ų152.583%0.82775%0.747SS**  trans71.4154.3158-62.7172.314.300116.1
270T30.8Very low33Very low104 Ų104149 Ų14964%0.63876%0.755SS**  cis-162.7175.8-1732.30000109.3
271K33.4Very low32.8Very low196 Ų196153 Ų15385%0.85276%0.761SS**  trans85.9138.7156.4-70.9159.7-176.9175.10118.6
272N32.2Very low32.8Very low154 Ų154156.2 Ų156.282%0.82477%0.769SS**  trans-78.1150.2172.3-46.6-76.5000111.8
273L31.9Very low32.2Very low165 Ų165153.2 Ų153.286%0.86476%0.758SS**  trans-160.3117.1130.5-92.2131.6000105.1
274N31.1Very low32.2Very low121 Ų121150.6 Ų150.665%0.64776%0.757SS**  75.8123.454-153.146.8000112.4
275Q33.5Very low32.2Very low153 Ų153154 Ų15472%0.71577%0.766SS**  trans69155.2165.1-64.4179-93.800116.8
276D34.9Very low32.2Very low108 Ų108150.7 Ų150.758%0.57876%0.763SS**  cis-157.2178.4-8.3-134.7-55.2000110.5
277Q34.9Very low31.7Very low153 Ų153147.2 Ų147.272%0.71575%0.75SS**  trans64.1157.2147.5-75.2165.231.300120.9
278Q33.4Very low31.5Very low146 Ų146147.7 Ų147.768%0.68275%0.745SS**  cis-155.7161.9-35.2-125.7-17630.100112.5
279H32.5Very low31Very low143 Ų143147.6 Ų147.666%0.66275%0.745SS**  trans-1.5132.8163.1-53.9-36.7000122.8
280G31.9Very low30.7Very low89 Ų89144 Ų14492%0.91874%0.74SS**  trans-125.395.2145.700000111.4
281R31.8Very low30.5Very low215 Ų215143.7 Ų143.781%0.81174%0.742SS**  trans-96.9141.4177.1-75.2-172178.1-148.14112
282K36Very low30Very low209 Ų209139.2 Ų139.291%0.90974%0.736SS**  trans158.2153.1134-88.7164.7178179.50110.6
283A29.3Very low29.7Very low67 Ų67137.1 Ų137.155%0.55473%0.728SS**  cis-174.2176.7-21.600000110.1
284N30.2Very low29.5Very low146 Ų146136.8 Ų136.878%0.78172%0.723SS**  trans78.7147.9166.1-39.2-51.8000115.9
285K29.5Very low29.6Very low185 Ų185138.7 Ų138.780%0.80473%0.728SS**  cis-174.5138.5-20.6-109.3-175.9179.71800105.1
286T28.7Very low29.4Very low123 Ų123141.3 Ų141.376%0.75573%0.731SS**  cis-147.2-144.1-10.8-25.30000105.2
287S24.6Very low29Very low82 Ų82145.8 Ų145.857%0.57374%0.74SS**  cis-163.8132.1-6.7-1250000109
288Y26.7Very low28.6Very low202 Ų202144.6 Ų144.679%0.79274%0.737SS**  trans59.5143155.9-71.6-124.9000117.8
289Q22.4Very low28.3Very low161 Ų161145.3 Ų145.375%0.75274%0.74SS**  cis-153.1152.7-9.5-124.4174.4-2700105.5
290S24.4Very low28.1Very low102 Ų102149.5 Ų149.571%0.71375%0.752SS**  -164.9171.859.3-69.60000113.2
291S27.1Very low27.7Very low97 Ų97148.7 Ų148.768%0.67874%0.743SS**  trans-13.3140.7162.656.50000119
292S23Very low27.5Very low103 Ų103147.6 Ų147.672%0.7275%0.747SS**  cis66.3148.642.797.20000113.6
293T26.3Very low27.3Very low110 Ų110145.1 Ų145.168%0.67574%0.744SS**  cis-156158.52.3-18.50000111.2
294E28.4Very low27.4Very low158 Ų158145.8 Ų145.874%0.73876%0.758SS**  trans58.3137.2148.3-86.7173.6116.500124.9R296E294-R296 IonicContact OE1-NH1 3.61Å
295E31.6Very low27.3Very low161 Ų161144.7 Ų144.775%0.75276%0.756SS**  trans-87133.7161.5172.1-149.2157.200110.5
296R29Very low27.2Very low207 Ų207143.8 Ų143.878%0.78176%0.755SS**  trans166.6164.5147.9-92.1147.2-174.4164.7-0.4110.9E294E294-R296 IonicContact OE1-NH1 3.61Å
297R28.4Very low27.3Very low203 Ų203147.2 Ų147.277%0.76676%0.759SS**  cis177.5157.5-34.5-157-178.3-162.3-165.26.7107
298L25.9Very low27.3Very low127 Ų127149.9 Ų149.967%0.66577%0.767SS**  trans86.2106.8160.5-48.2179.6000121.5
299H27.7Very low27.4Very low161 Ų161147.1 Ų147.175%0.74577%0.77SS**  67.2149.3126.9-58.9-58.7000125.8
300Y28Very low27.6Very low232 Ų232144.6 Ų144.691%0.9177%0.771SS**  trans63.9143.7172.6-69.8-85.5000118.1
301G23.6Very low27.7Very low71 Ų71148.2 Ų148.273%0.73278%0.776SS**  cis14670.4-14.900000116.8
302E27Very low27.5Very low192 Ų192148.7 Ų148.790%0.89778%0.78SS**  trans-147.1160.5162.9-155.3166.2169.300111.7
303N30.7Very low27.4Very low158 Ų158149.8 Ų149.885%0.84579%0.787SS**  trans-101.7117.9-153.3-66-65.7000115.7V305N303-V305 PolarHBondContact O-N 3.46Å
304G31.8Very low27.3Very low81 Ų81152.1 Ų152.184%0.83579%0.794SS**  trans-93.673.6167.700000114
305V29.1Very low27Very low122 Ų122154.1 Ų154.174%0.73980%0.796SS**  trans39.4100.5152.9-177.10000118.5N303N303-V305 PolarHBondContact O-N 3.46Å
306Q26.5Very low26.6Very low167 Ų167150.4 Ų150.478%0.7879%0.788SS**  trans72.680.3130.8-162.8-177.211.600120.5
307K31Very low26.3Very low194 Ų194148.3 Ų148.384%0.84379%0.787SS**  177.8135.3111.1-102.7172.4-178.5179.20114.8
308D25.7Very low26.1Very low139 Ų139144.1 Ų144.174%0.74378%0.784SS**  trans-60.2158.7156.4-66.3-73.9000111.3
309V27.2Very low26.6Very low143 Ų143146.5 Ų146.587%0.86779%0.792SS**  cis-136.5150.637.3171.60000113.4
310S27.1Very low26.5Very low108 Ų108147.5 Ų147.576%0.75580%0.797SS**  trans-69.6174.2-175.9-61.60000117.2
311Q26.3Very low27Very low179 Ų179145.1 Ų145.184%0.83679%0.791SS**  trans-66.4159.2179.5-59172.6-19.800114.9
312S22.2Very low27.2Very low107 Ų107146.4 Ų146.475%0.74880%0.795SS**  trans58.7127.7145.265.50000120.8
313S22.6Very low27.1Very low126 Ų126145.5 Ų145.588%0.88179%0.79SS**  -171.3166.811537.60000112.3
314I24.2Very low26.8Very low159 Ų159141.2 Ų141.282%0.81578%0.783SS**  trans-91.1134.1-176.3-55.4158.7000109.3
315Y21.8Very low26.7Very low199 Ų199145.6 Ų145.678%0.7878%0.78SS**  -173.6163123.7-141.7-108.5000114.7
316S23.2Very low26.8Very low83 Ų83145.8 Ų145.858%0.5879%0.786SS**  trans-76151.6176-38.40000113.4
317Q21.8Very low26.7Very low164 Ų164145.2 Ų145.277%0.76678%0.783SS**  175147.8121.3-98.1160.184.100116
318T24.5Very low26.7Very low114 Ų114145.3 Ų145.370%0.69978%0.784SS**  trans48.7127.8138.4-45.90000122
319E36.8Very low26.7Very low178 Ų178145.6 Ų145.683%0.83278%0.781SS**  trans-80.4121.9161178.8-168.8169.900110.8
320E25.7Very low26.6Very low182 Ų182145.6 Ų145.685%0.8578%0.775SS**  trans-147.6173161.5-136.2-156.6129.200113.1
321K37.4Very low26.4Very low182 Ų182146.1 Ų146.179%0.79177%0.773SS**  trans-116.5133.3-158.3-59.8170.4-177.1168.50114.6
322A27.9Very low27Very low97 Ų97143.3 Ų143.380%0.80277%0.769SS**  trans-152.6124.7148.100000107.8
323H25.1Very low27.2Very low174 Ų174144.4 Ų144.481%0.80677%0.773SS**  cis87.5106.534.6-156.772.6000114.1
324G25Very low27.3Very low68 Ų68143.5 Ų143.570%0.70177%0.767SS**  trans156.474.6-176.600000112.1
325K30.1Very low27.4Very low173 Ų173143.3 Ų143.375%0.75276%0.762SS**  79.7100.985.4-76.4-173.5177.2179.90115.8
326S30Very low27.5Very low126 Ų126141.5 Ų141.588%0.88176%0.761SS**  trans177103.1143.4-79.90000107.4
327Q26.3Very low27.6Very low154 Ų154145.7 Ų145.772%0.7277%0.771SS**  cis93.791.936.8-168.3175.3-14.200114.9
328K31Very low27.9Very low196 Ų196144.6 Ų144.685%0.85277%0.766SS**  trans-177.2109.9144.8-98164.7-176.8-177.80105.3
329Q25.2Very low28.1Very low146 Ų146146.1 Ų146.168%0.68277%0.765SS**  60.3131.556.3-64.7-171-41.900113.2
330I23.8Very low27.7Very low143 Ų143141.5 Ų141.573%0.73375%0.752SS**  cis-156.3173-4-124.3163.8000112.3
331T24.4Very low27.8Very low118 Ų118141.1 Ų141.172%0.72475%0.751SS**  trans-36.2159.2178-46.40000121
332T38.4Very low27.5Very low121 Ų121142 Ų14274%0.74276%0.755SS**  trans-53.9162.1177.454.90000119
333P26.8Very low27.4Very low129 Ų129141.1 Ų141.184%0.83875%0.747SS**  -125.7-167.3121.239.7-33.3000113.8
334S24.5Very low27.4Very low108 Ų108139.5 Ų139.576%0.75574%0.744SS**  trans-121.4-176.7-171-166.80000112.7
335Q25.6Very low27.5Very low155 Ų155144.6 Ų144.672%0.72475%0.747SS**  trans71.8149.6172.2-62.5177.5-82.800115.3
336E24.7Very low27.3Very low161 Ų161142.8 Ų142.875%0.75275%0.751SS**  cis-160.4-173.3-10.3-125.9163.2-143.100112.2
337Q25.3Very low27Very low170 Ų170142.5 Ų142.579%0.79475%0.749SS**  trans75.8146.4158.9-153.5174.69.300118
338E28.5Very low26.9Very low141 Ų141145.8 Ų145.866%0.65976%0.756SS**  172.6136.7-53.6178.4-173.1-17400106.6
339H27.6Very low26.4Very low146 Ų146144.9 Ų144.968%0.67676%0.755SS**  trans150.1139.7145.1-77.5-30.6000110.5
340S28.3Very low26.2Very low81 Ų81142.5 Ų142.557%0.56675%0.754SS**  cis-157.2135.8-8-108.80000113.7
341Q28.3Very low26.2Very low175 Ų175140.5 Ų140.582%0.81875%0.753SS**  trans49.2115.5137.5-54.6178.714.400121.9
342K30.2Very low26.2Very low201 Ų201140 Ų14087%0.87476%0.755SS**  -169.696.1112.5-152.7166.7-175.8175.90109.5
343A26.2Very low25.6Very low77 Ų77139.9 Ų139.964%0.63675%0.754SS**  61.1124.388.900000114
344N24.7Very low25.6Very low140 Ų140142 Ų14275%0.74975%0.753SS**  cis-159.7150.68.4-95.3-29.9000113.8
345K27.3Very low25.7Very low176 Ų176144.1 Ų144.177%0.76575%0.75SS**  trans46.6108.3138.9-64.4-175.5-179.5-177.20120.1
346T26.5Very low25.7Very low135 Ų135145.8 Ų145.883%0.82875%0.75SS**  70.7123.575.762.70000117.7
347S24.5Very low25.7Very low119 Ų119148 Ų14883%0.83275%0.751SS**  trans-157.2155.2131.8-163.70000112.3
348Y23.4Very low25.7Very low223 Ų223146.5 Ų146.588%0.87575%0.748SS**  trans-100.1-177.9164.1-99.2-105.7000110
349Q21Very low25.8Very low177 Ų177147 Ų14783%0.82775%0.751SS**  trans99.1128154.4-58-158.4-91.300120.8
350S21.5Very low25.7Very low96 Ų96150.9 Ų150.967%0.67176%0.761SS**  trans67.7113.1133.9-57.20000123.2
351S23.6Very low25.6Very low101 Ų101150.5 Ų150.571%0.70677%0.77SS**  trans16.6131.5130.259.10000122.7
352S23.9Very low25.4Very low109 Ų109151.4 Ų151.476%0.76277%0.774SS**  trans60.8162.6148.765.90000117.4
353T25Very low25.4Very low117 Ų117149.5 Ų149.572%0.71877%0.773SS**  cis-150.1-173.522.7-39.10000111.5
354E27.2Very low25.4Very low175 Ų175149.7 Ų149.782%0.81878%0.783SS**  trans-54153.6-174.9-55.8156.186.200118.5
355E26.5Very low25.5Very low151 Ų151149.7 Ų149.771%0.70679%0.787SS**  -179.2148.1127.8-97.3-143.282.200110.1
356R25.5Very low25.4Very low190 Ų190150.2 Ų150.272%0.71779%0.793SS**  cis-166.2164.6-16.8-147.3-159.8-145.3128.2-2.4110.8
357R24.6Very low25.5Very low207 Ų207152.3 Ų152.378%0.78179%0.79SS**  trans91.7106.3155.1-65.3176.3177.1172.50.3121.4
358L26.7Very low25.6Very low139 Ų139153.3 Ų153.373%0.72879%0.786SS**  55.8142.7127.1-47.9176.5000119.5
359H29.5Very low25.6Very low153 Ų153148.3 Ų148.371%0.70878%0.779SS**  cis-138.7171.725.5-79.8-101.9000113.7
360Y25.6Very low25.8Very low226 Ų226144.5 Ų144.589%0.88677%0.772SS**  trans-3.3141.7156-69.4-106.2000117.9
361G25.2Very low26Very low74 Ų74148.3 Ų148.376%0.76378%0.779SS**  cis126.612323.800000107.4
362E25.3Very low25.9Very low194 Ų194149 Ų14991%0.90778%0.784SS**  -162.8167.383.1-173.3170.5162.500110.9
363N29.4Very low25.8Very low160 Ų160148.2 Ų148.286%0.85678%0.778SS**  trans-97.8142.7-175-64.6-65.5000113.6
364G26.7Very low25.7Very low81 Ų81149.6 Ų149.684%0.83578%0.78SS**  trans-141.499.1169.600000112.2
365V27.1Very low25.5Very low140 Ų140148.1 Ų148.185%0.84877%0.768SS**  trans-104.5112.1176174.40000109.8
366Q25.1Very low25.2Very low188 Ų188146.6 Ų146.688%0.87977%0.774SS**  trans-154.6151.5151.6-140.3162.7-31.100113.4
367K28.1Very low25Very low178 Ų178144.3 Ų144.377%0.77477%0.771SS**  trans-70.4152.6161.4-50.7171.1-176.2172.70107.2
368D26.4Very low25Very low140 Ų140140.6 Ų140.675%0.74977%0.772SS**  -171.9171.267.3-122-23.6000114.6
369V24Very low25Very low118 Ų118141.6 Ų141.672%0.71577%0.773SS**  trans28141.5143.1170.90000122.1
370S25.9Very low24.8Very low98 Ų98140.6 Ų140.669%0.68577%0.769SS**  trans89.5101158.2-78.70000120.6
371Q23.8Very low24.8Very low176 Ų176138 Ų13882%0.82276%0.762SS**  30.3130.7121.7-61.7-171.9-5.100120.2
372S21.6Very low24.9Very low115 Ų115138.2 Ų138.280%0.80476%0.756SS**  trans70.8153.4160.787.70000115.2
373S22.6Very low25Very low92 Ų92138.3 Ų138.364%0.64376%0.757SS**  cis-163.6164.3-25.847.20000108.9
374I22.9Very low24.8Very low147 Ų147133.9 Ų133.975%0.75475%0.749SS**  trans60.2-179.4177.5-2-176.8000110.8
375Y22Very low24.8Very low143 Ų143140.2 Ų140.256%0.56175%0.753SS**  cis-152.2140.929.3-154.1-80.5000113.4Q377Y375-Q377 HydrophobicContact CD1-CB 4.38Å; Y375-Q377 HydrophobicContact CE1-CB 3.53Å; Y375-Q377 VanDerWaalsContact CE1-CD 3.45Å; Y375-Q377 HydrophobicContact CE1-CG 3.49Å; Y375-Q377 VanDerWaalsContact CE1-CG 3.49Å; Y375-Q377 WeakPolarHBondContact OH-CG 3.25Å; Y375-Q377 PolarHBondContact OH-NE2 3.11Å; Y375-Q377 VanDerWaalsContact OH-NE2 3.1Å
376S21.8Very low24.7Very low120 Ų120139.7 Ų139.784%0.83976%0.755SS**  trans-144.2105.5161.1-68.90000110.7
377Q20.8Very low24.7Very low141 Ų141139 Ų13966%0.65975%0.752SS**  trans-99.3129.5165.3-109147.60.600107.9Y375Y375-Q377 HydrophobicContact CD1-CB 4.38Å; Y375-Q377 HydrophobicContact CE1-CB 3.53Å; Y375-Q377 VanDerWaalsContact CE1-CD 3.45Å; Y375-Q377 HydrophobicContact CE1-CG 3.49Å; Y375-Q377 VanDerWaalsContact CE1-CG 3.49Å; Y375-Q377 WeakPolarHBondContact OH-CG 3.25Å; Y375-Q377 PolarHBondContact OH-NE2 3.11Å; Y375-Q377 VanDerWaalsContact OH-NE2 3.1Å
378T25.1Very low24.5Very low129 Ų129140.4 Ų140.479%0.79176%0.759SS**  trans-153.3117.1134.2-19.30000104.2
379E25.8Very low24.4Very low160 Ų160141.6 Ų141.675%0.74876%0.759SS**  cis-150.4-169.13.6-139175.9126.200112.3
380E24.9Very low24.3Very low133 Ų133143 Ų14362%0.62176%0.761SS**  trans-57.5170.3172.6-60.6-165.9136.500114.1
381K27.1Very low24.1Very low170 Ų170144.6 Ų144.674%0.73977%0.767SS**  cis-160.6169.5-1.7-119.8159.3-164.7153.30105.2
382A27.3Very low24.2Very low79 Ų79143 Ų14365%0.65376%0.763SS**  cis-153.8174.519.300000110.9
383H26.9Very low24.8Very low197 Ų197143.2 Ų143.291%0.91276%0.761SS**  trans34119.5167.6-65.9-52.7000119.4
384G24.2Very low24.8Very low67 Ų67144 Ų14469%0.69177%0.767SS**  cis133.71436.900000111.2
385K28.2Very low24.8Very low214 Ų214143.9 Ų143.993%0.9376%0.763SS**  trans8382.2-169.7-55.3177.3179.6178.50115.2
386S25Very low24.8Very low128 Ų128144.4 Ų144.490%0.89577%0.771SS**  trans-80.7133.6152.5-63.90000109.6
387Q23.9Very low24.9Very low173 Ų173145.7 Ų145.781%0.80876%0.764SS**  trans-141105.8157.7-170.9167-6.300109.3
388K24.2Very low25Very low209 Ų209146.1 Ų146.191%0.90977%0.766SS**  trans-86.6126.1166.2-72-176.9177.4-179.60108
389Q23.3Very low25.2Very low164 Ų164148.8 Ų148.877%0.76677%0.769SS**  trans-137.1139.1157.5-168.1163.91.500108.4
390I22.8Very low25.2Very low148 Ų148146.4 Ų146.476%0.75977%0.77SS**  trans-100126.3-175.6-61.7168.8000108.3I392I390-I392 HydrophobicContact CG2-CD1 4.43Å; I390-I392 HydrophobicContact CG2-CG1 4.18Å
391T22.3Very low25.3Very low132 Ų132149 Ų14981%0.8178%0.782SS**  trans-146.4139.3160.4-54.60000108.5
392I24.8Very low25.3Very low142 Ų142150.4 Ų150.473%0.72879%0.788SS**  trans-145.6153.1-178.8-25.4173.8000106.9I390I390-I392 HydrophobicContact CG2-CD1 4.43Å; I390-I392 HydrophobicContact CG2-CG1 4.18Å
393P34.3Very low25.2Very low119 Ų119150.9 Ų150.977%0.77379%0.792SS**  -121.8170.7-56.137.5-25.9000111.9
394S22.3Very low25.2Very low110 Ų110149.4 Ų149.477%0.76979%0.791SS**  trans-167.6145.1151.7-1610000107.1
395Q23.5Very low25.3Very low143 Ų143156 Ų15667%0.66880%0.801SS**  cis-177.8143.2-21.3167.7174-28.300103.3
396E22.1Very low25.1Very low155 Ų155152.3 Ų152.372%0.72480%0.796SS**  trans63157.9179.9-73144.8-138.700115.1
397Q24.1Very low25Very low146 Ų146150.8 Ų150.868%0.68279%0.786SS**  cis-159.4166.1-23.7172.1161.8-35.300109.1
398E24Very low25Very low151 Ų151153.4 Ų153.471%0.70679%0.79SS**  trans65.492.1161.4-88158.7-136.300122.4
399H27.9Very low25Very low184 Ų184152.5 Ų152.585%0.85279%0.789SS**  52.480.6107.5-151.7-50.9000119.7
400S26.1Very low25Very low110 Ų110150.4 Ų150.477%0.76979%0.792SS**  trans-15498.7156.243.80000115.8
401Q27.4Very low25.1Very low188 Ų188148.9 Ų148.988%0.87980%0.795SS**  trans-135.6103.3154.5-65.8-172.3-1.200106.5
402K26.1Very low25.3Very low199 Ų199152.4 Ų152.487%0.86580%0.799SS**  61.29663.9-163.7175.8-177176.80111.4
403A25.6Very low25.3Very low90 Ų90153.7 Ų153.774%0.74480%0.802SS**  trans-65.7142.3-179.200000112.7
404N26.5Very low24.9Very low165 Ų165159 Ų15988%0.88281%0.808SS**  trans-120.8137.2152.3-91.3-29.9000108
405K26.6Very low25.1Very low205 Ų205161 Ų16189%0.89181%0.809SS**  trans-90.9127-174.3-61174-177.9175.60110.5
406T23.9Very low25.3Very low137 Ų137161.2 Ų161.284%0.8481%0.814SS**  trans-127.6124152.926.10000108
407S23.1Very low25.4Very low96 Ų96163.8 Ų163.867%0.67182%0.823SS**  trans-86.5132.3-173.3-176.40000111
408Y23.4Very low25.4Very low229 Ų229162.4 Ų162.490%0.89883%0.83SS**  trans-125.7114149.5-80.4-78.6000108.2
409Q25.3Very low25.5Very low189 Ų189165.6 Ų165.688%0.88384%0.836SS**  trans-74.7129.3168.7-69.9173.2-98.700108.8
410S23.7Very low25.6Very low121 Ų121165 Ų16585%0.84683%0.833SS**  trans-141.1134.2157.1-164.50000109.9
411S24.2Very low25.7Very low116 Ų116166 Ų16681%0.81183%0.826SS**  trans-55.1138.4-160.3-51.90000116.3
412K25.4Very low25.8Very low206 Ų206166.5 Ų166.590%0.89683%0.825SS**  trans-82.1109163.7-77.3-174.1175.9-176.70111.2
413Q26Very low26.1Very low169 Ų169160.6 Ų160.679%0.7981%0.813SS**  trans-175.6137.4148.9-100.5158.60.600105.1
414Y25.9Very low26.2Very low230 Ų230163.8 Ų163.890%0.90282%0.818SS**  cis-122.7173.134.5-70.1-98.1000114.2
415L26.9Very low26.6Very low152 Ų152159.1 Ų159.180%0.79680%0.796SS**  trans-117.7175.6175.9-126.2166.7000109.4
416L26.6Very low26.7Very low148 Ų148154.9 Ų154.978%0.77579%0.788SS**  trans74.589.5-179.9-60.2111000117.2
417F24.2Very low27Very low208 Ų208156.3 Ų156.391%0.91278%0.778SS**  -165.874.5106.2-114.5-72.2000111.4R419F417-R419 PolarHBondContact O-N 3.28Å
418S23.9Very low27.3Very low117 Ų117157 Ų15782%0.81877%0.773SS**  trans-85.293.7170.9-61.40000109.9
419R27.2Very low27.6Very low219 Ų219151.6 Ų151.683%0.82677%0.769SS**  trans-77.2120.1154177.7178.5-86.1-156.5-3.7106.6F417 Q421F417-R419 PolarHBondContact O-N 3.28Å; R419-Q421 PolarHBondContact O-N 3.02Å
420E30.1Very low27.8Very low171 Ų171148.3 Ų148.380%0.79976%0.757SS**  trans-66.2116-177.4-166.9174.6164.100110.4
421Q27.7Very low28.3Very low131 Ų131145.8 Ų145.861%0.61275%0.75SS**  trans-126.9130.5171.1-69.3-142.644.300109R419 A423R419-Q421 PolarHBondContact O-N 3.02Å; Q421-A423 PolarHBondContact O-N 3.35Å
422K30.5Very low28.8Very low199 Ų199148.5 Ų148.587%0.86576%0.755SS**  trans-94.372.8179.9-70.8-176177.21780110.8
423A31Very low28.8Very low74 Ų74147.2 Ų147.261%0.61275%0.745SS**  trans-141.6130.2168.200000108.6Q421 P425Q421-A423 PolarHBondContact O-N 3.35Å; A423-P425 VanDerWaalsContact O-CD 3.23Å; A423-P425 WeakPolarHBondContact O-CD 3.41Å
424D28.1Very low29Very low158 Ų158144.5 Ų144.585%0.84574%0.735SS**  trans-79.6111.2179.1-72.5-49.5000110.1T426D424-T426 PolarHBondContact O-N 2.98Å; D424-T426 VanDerWaalsContact O-N 3.16Å
425P35Very low29.3Very low67 Ų67138.4 Ų138.444%0.43572%0.716SS.*  trans-68.9116.4-179.827.4-33.1000110.1A423 W427A423-P425 VanDerWaalsContact O-CD 3.23Å; A423-P425 WeakPolarHBondContact O-CD 3.41Å; P425-W427 HydrophobicContact CB-CZ2 4.14Å; P425-W427 HydrophobicContact CG-CZ2 3.98Å; P425-W427 PolarHBondContact O-N 3.36Å; P425-W427 PolarHBondContact O-NE1 3.15Å
426T28.9Very low29.6Very low116 Ų116134.9 Ų134.971%0.71270%0.701SS**  trans-79.7110.6175.8-64.30000110D424D424-T426 PolarHBondContact O-N 2.98Å; D424-T426 VanDerWaalsContact O-N 3.16Å
427W29.9Very low29.8Very low166 Ų166133.3 Ų133.363%0.62969%0.692SS**  trans-87.9122.5-178.5-56.490.7000111.6P425 I434 V436P425-W427 HydrophobicContact CB-CZ2 4.14Å; P425-W427 HydrophobicContact CG-CZ2 3.98Å; P425-W427 PolarHBondContact O-N 3.36Å; P425-W427 PolarHBondContact O-NE1 3.15Å; W427-I434 HydrophobicContact CE3-CG2 3.99Å; W427-I434 HydrophobicContact CZ3-CG2 3.73Å; W427-V436 HydrophobicContact CH2-CG2 4.28Å; W427-V436 HydrophobicContact CZ3-CG2 3.84Å
428I29.3Very low30.3Very low110 Ų110128.7 Ų128.756%0.56468%0.676SS**EExtended strand (participates in β ladder)trans-113.2109.6170.2-60.4178.4000108.3L430I428-L430 HydrophobicContact CG2-CD1 4.48Å; I428-L430 PolarHBondContact O-N 2.92Å
429S28.7Very low30.5Very low116 Ų116131.5 Ų131.581%0.81168%0.676SS**EExtended strand (participates in β ladder)trans-88.8100.1177.3-175.30000110.5
430L31.1Very low30.9Very low121 Ų121126.7 Ų126.763%0.63466%0.663SS**EExtended strand (participates in β ladder)trans-100.2145.2160.6-77.6158.6000107.9I428 D432 W433I428-L430 HydrophobicContact CG2-CD1 4.48Å; I428-L430 PolarHBondContact O-N 2.92Å; L430-D432 PolarHBondContact O-N 3.22Å; L430-W433 PolarHBondContact O-N 3.13Å; L430-W433 VanDerWaalsContact O-N 3.09Å
431G33.3Very low30.9Very low68 Ų68128 Ų12870%0.70167%0.669SS**THydrogen-bonded Turntrans-43.9125.3-165.400000114.6W433G431-W433 PolarHBondContact O-N 3.03Å
432D34.7Very low31.3Very low173 Ų173128 Ų12893%0.92567%0.674SS**THydrogen-bonded Turntrans59.6-3.7179.5-55.3-24.7000117.6L430L430-D432 PolarHBondContact O-N 3.22Å
433W26.5Very low31.4Very low179 Ų179121.1 Ų121.168%0.67866%0.658SS**EExtended strand (participates in β ladder)trans-119.6113.2-174.2-78.640.6000112L430 G431L430-W433 PolarHBondContact O-N 3.13Å; L430-W433 VanDerWaalsContact O-N 3.09Å; G431-W433 PolarHBondContact O-N 3.03Å
434I29.2Very low31.4Very low112 Ų112123.6 Ų123.657%0.57467%0.668SS**EExtended strand (participates in β ladder)trans-90.2111.3172.6-58.5177.6000109.1W427 V436W427-I434 HydrophobicContact CE3-CG2 3.99Å; W427-I434 HydrophobicContact CZ3-CG2 3.73Å; I434-V436 HydrophobicContact CG2-CG2 4.18Å
435I33Very low31.6Very low102 Ų102119.9 Ų119.952%0.52366%0.655SS.*EExtended strand (participates in β ladder)trans-94.6125.4170.2-57.9176.2000108I437I435-I437 HydrophobicContact CG2-CG1 4.25Å
436V32.4Very low31.3Very low77 Ų77123.6 Ų123.647%0.46767%0.671SS.*  trans-107111.1172.9-173.60000108.1W427 I434 I438W427-V436 HydrophobicContact CH2-CG2 4.28Å; W427-V436 HydrophobicContact CZ3-CG2 3.84Å; I434-V436 HydrophobicContact CG2-CG2 4.18Å; V436-I438 HydrophobicContact CG1-CD1 4.39Å; V436-I438 HydrophobicContact CG1-CG1 3.97Å
437I31.6Very low31.3Very low116 Ų116125.8 Ų125.860%0.59567%0.673SS**  trans-89.3128.6169.2-57.5176.8000107.1I435I435-I437 HydrophobicContact CG2-CG1 4.25Å
438I33.6Very low31.2Very low110 Ų110126.4 Ų126.456%0.56468%0.682SS**  trans-122.9115.9171.2-54.8178.9000105.6V436V436-I438 HydrophobicContact CG1-CD1 4.39Å; V436-I438 HydrophobicContact CG1-CG1 3.97Å
439E29.4Very low31.2Very low177 Ų177128.6 Ų128.683%0.82769%0.694SS**  trans-82126.2166.8-63.1-172.5164.900107.6
440E34.4Very low31.1Very low117 Ų117127.8 Ų127.855%0.54770%0.695SS.*  trans-120103.8-175.7-171.4160.1-15700106.7R125 D442R125-E440 IonicContact NH2-OE2 3.97Å; R125-E440 PolarHBondContact NH2-OE2 2.96Å; E440-D442 PolarHBondContact O-N 3.31Å
441E29.9Very low31Very low198 Ų198130.3 Ų130.393%0.92570%0.703SS**  trans-71110.5172.9-79.3-160.8127.600109.3G443E441-G443 VanDerWaalsContact C-N 3.28Å; E441-G443 PolarHBondContact O-N 2.99Å
442D36.6Very low30.6Very low133 Ų133135 Ų13571%0.71171%0.707SS**  trans-64.984.3172-82-42.7000110.5H129 E440H129-D442 IonicContact ND1-OD2 3.18Å; E440-D442 PolarHBondContact O-N 3.31Å
443G33.3Very low30.3Very low53 Ų53133.3 Ų133.355%0.54670%0.697SS.*  trans-60.4151.6166.200000111.6E441 S445E441-G443 VanDerWaalsContact C-N 3.28Å; E441-G443 PolarHBondContact O-N 2.99Å; G443-S445 PolarHBondContact O-N 3.16Å; G443-S445 VanDerWaalsContact O-N 3.13Å
444P30.8Very low30.2Very low126 Ų126130.3 Ų130.382%0.81870%0.703SS**  trans-62117.6-17424.6-33.8000112D446P444-D446 PolarHBondContact O-N 3.21Å
445S32.2Very low30.1Very low81 Ų81132.7 Ų132.757%0.56672%0.717SS**  trans-84.690.6-176.6-169.90000112.4G443 H447G443-S445 PolarHBondContact O-N 3.16Å; G443-S445 VanDerWaalsContact O-N 3.13Å; S445-H447 VanDerWaalsContact C-N 3.33Å; S445-H447 PolarHBondContact O-N 3.24Å; S445-H447 PolarHBondContact OG-CE1 3.12Å; S445-H447 PolarHBondContact OG-ND1 3.04Å; S445-H447 PolarHBondContact OG-NE2 3.05Å; S445-H447 VanDerWaalsContact OG-NE2 3.14Å
446D29.3Very low29.9Very low145 Ų145137.5 Ų137.578%0.77573%0.729SS**  trans-74.481.6170.2-80.2-31.2000111.3P444 H448P444-D446 PolarHBondContact O-N 3.21Å; D446-H448 VanDerWaalsContact C-N 3.33Å; D446-H448 PolarHBondContact O-N 3.11Å
447H29Very low29.9Very low161 Ų161139.6 Ų139.675%0.74574%0.742SS**  trans-75.876.9174.5-75.7-32.2000112.9S445 L449S445-H447 VanDerWaalsContact C-N 3.33Å; S445-H447 PolarHBondContact O-N 3.24Å; S445-H447 PolarHBondContact OG-CE1 3.12Å; S445-H447 PolarHBondContact OG-ND1 3.04Å; S445-H447 PolarHBondContact OG-NE2 3.05Å; S445-H447 VanDerWaalsContact OG-NE2 3.14Å; H447-L449 PolarHBondContact O-N 3.11Å; H447-L449 VanDerWaalsContact O-N 3.16Å
448H26.8Very low29.9Very low180 Ų180139.1 Ų139.183%0.83374%0.741SS**  trans-69.1104161.2-88.5-81.3000110.9D446 A450D446-H448 VanDerWaalsContact C-N 3.33Å; D446-H448 PolarHBondContact O-N 3.11Å; H448-A450 PolarHBondContact O-N 3.43Å
449L29.7Very low29.7Very low155 Ų155142.3 Ų142.381%0.81275%0.753SS**  trans-70.691.2174.4-92.6166.4000111.7H447 Q451H447-L449 PolarHBondContact O-N 3.11Å; H447-L449 VanDerWaalsContact O-N 3.16Å; L449-Q451 PolarHBondContact O-N 3.38Å; L449-Q451 VanDerWaalsContact O-N 3.09Å
450A27.1Very low30.3Very low100 Ų100139.5 Ų139.583%0.82675%0.75SS**  trans-71.894.7166.800000110.4H448 H452H448-A450 PolarHBondContact O-N 3.43Å; A450-H452 PolarHBondContact O-N 3.19Å
451Q29Very low30.2Very low173 Ų173141.8 Ų141.881%0.80877%0.765SS**  trans-78.4116.3169.9-66.1-173.74.900110.1L449L449-Q451 PolarHBondContact O-N 3.38Å; L449-Q451 VanDerWaalsContact O-N 3.09Å
452H25Very low30.3Very low168 Ų168141.3 Ų141.378%0.77876%0.76SS**  trans-14595.4163.1-146.9-90.4000113.3A450A450-H452 PolarHBondContact O-N 3.19Å
453L28.5Very low30.4Very low136 Ų136144.9 Ų144.971%0.71279%0.787SS**  trans36.3116.3145.3-72.9140.3000119.4
454S24.2Very low30.3Very low117 Ų117149.5 Ų149.582%0.81880%0.799SS**  -156.2116.3118.2-83.70000111.7
455N26.4Very low30.2Very low162 Ų162150.7 Ų150.787%0.86680%0.798SS**  trans-156121.8137-108.5-20.9000109.1
456R28.7Very low30.1Very low202 Ų202154.6 Ų154.676%0.76281%0.811SS**  trans-106.3120179.1170.6-173174.2166.94106.9D458R456-D458 IonicContact CZ-OD1 3.32Å; R456-D458 VanDerWaalsContact CZ-OD1 3.32Å; R456-D458 IonicContact CZ-OD2 3.84Å; R456-D458 IonicContact NE-OD1 2.89Å; R456-D458 PolarHBondContact NE-OD1 3.38Å; R456-D458 IonicContact NE-OD2 3.08Å; R456-D458 PolarHBondContact NE-OD2 3.38Å; R456-D458 VanDerWaalsContact NE-OD2 3.08Å; R456-D458 IonicContact NH2-OD1 2.85Å; R456-D458 PolarHBondContact NH2-OD1 3.43Å; R456-D458 IonicContact NH2-OD2 3.86Å
457T32Very low30.2Very low121 Ų121155.2 Ų155.274%0.74281%0.813SS**  trans-122.299.6174-46.90000107.8
458D31.8Very low30.3Very low107 Ų107154.8 Ų154.857%0.57282%0.818SS**PPolyproline II helixtrans-71.5126.5178.6-52.8-92.8000109.8R456R456-D458 IonicContact CZ-OD1 3.32Å; R456-D458 VanDerWaalsContact CZ-OD1 3.32Å; R456-D458 IonicContact CZ-OD2 3.84Å; R456-D458 IonicContact NE-OD1 2.89Å; R456-D458 PolarHBondContact NE-OD1 3.38Å; R456-D458 IonicContact NE-OD2 3.08Å; R456-D458 PolarHBondContact NE-OD2 3.38Å; R456-D458 VanDerWaalsContact NE-OD2 3.08Å; R456-D458 IonicContact NH2-OD1 2.85Å; R456-D458 PolarHBondContact NH2-OD1 3.43Å; R456-D458 IonicContact NH2-OD2 3.86Å
459H29.6Very low30.5Very low177 Ų177153.1 Ų153.182%0.81982%0.816SS**PPolyproline II helixtrans-86.4126174.2-80.4-94.3000110.6
460P41.1Very low30.5Very low117 Ų117153 Ų15376%0.7682%0.817SS**PPolyproline II helixtrans-77.4131.1167.831-32.1000110.9
461L33.4Very low30.8Very low165 Ų165157.1 Ų157.186%0.86482%0.816SS**PPolyproline II helixtrans-73.6132.6168.4-87.6153.2000110.7
462F31.6Very low31Very low188 Ų188155.8 Ų155.883%0.82582%0.817SS**  trans-146.4118.4154.9-97.8-76.8000110.5
463T39.3Very low31.5Very low209 Ų209154.6 Ų154.6100%1.28282%0.82SS**  trans38.70163.859.60000117.7

Retrieved 463 of 463 residues in 138.6 ms (Link to these results)