A0A077ZI99_TRITR Loading...

Pc21g16020 protein

AlphaFold DB , UniProt , Accession A0A077ZI99, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 375 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
1M23.6Very low25Very low196 Ų196142.9 Ų142.997%0.96673%0.725SS**  0109.80-170.1171.7113.100106.5T3M1-T3 HydrophobicContact CE-CG2 3.74Å
2F21.5Very low25.2Very low186 Ų186143.4 Ų143.482%0.81673%0.731SS**  trans-96.299.4174.7-72.8-80.3000107.5F4F2-F4 PolarHBondContact O-N 3.48Å
3T22.4Very low25.3Very low108 Ų108146.5 Ų146.566%0.66373%0.728SS**  trans-79.6109.7165.438.30000107.2M1 D5M1-T3 HydrophobicContact CE-CG2 3.74Å; T3-D5 PolarHBondContact O-N 3.3Å; T3-D5 VanDerWaalsContact O-N 3.17Å
4F27.5Very low25.4Very low136 Ų136148.3 Ų148.360%0.59673%0.734SS**  trans-63118.1162.3-76.6-81.6000107.2F2 Q6F2-F4 PolarHBondContact O-N 3.48Å; F4-Q6 PolarHBondContact O-N 2.96Å
5D23.6Very low25.4Very low118 Ų118150.1 Ų150.163%0.63173%0.731SS**  trans-55112.6-179.6-162.8-15.8000109.3T3 S7T3-D5 PolarHBondContact O-N 3.3Å; T3-D5 VanDerWaalsContact O-N 3.17Å; D5-S7 PolarHBondContact O-N 3.1Å; D5-S7 WeakPolarHBondContact OD1-CB 3.35Å; D5-S7 PolarHBondContact OD1-N 3.43Å; D5-S7 PolarHBondContact OD1-OG 3.04Å; D5-S7 PolarHBondContact OD2-OG 2.9Å; D5-S7 VanDerWaalsContact OD2-OG 3.12Å
6Q28.5Very low25.4Very low183 Ų183148.1 Ų148.186%0.85573%0.733SS**G310 helixtrans-59.6-9.2178.4-113.8169.6-4.700112.3F4F4-Q6 PolarHBondContact O-N 2.96Å
7S25Very low25.5Very low83 Ų83144.9 Ų144.958%0.5872%0.718SS**G310 helixtrans-88.1-2.5-171.3680000116.3D5D5-S7 PolarHBondContact O-N 3.1Å; D5-S7 WeakPolarHBondContact OD1-CB 3.35Å; D5-S7 PolarHBondContact OD1-N 3.43Å; D5-S7 PolarHBondContact OD1-OG 3.04Å; D5-S7 PolarHBondContact OD2-OG 2.9Å; D5-S7 VanDerWaalsContact OD2-OG 3.12Å
8T26.8Very low25.6Very low123 Ų123143.3 Ų143.376%0.75572%0.72SS**G310 helixtrans-110.312.3169.454.20000114.4N10T8-N10 PolarHBondContact O-N 3.26Å
9C24.9Very low25.6Very low93 Ų93143.3 Ų143.363%0.62871%0.712SS**  trans-72.771.9161.5-155.30000108.7R11C9-R11 PolarHBondContact O-N 3.28Å
10N25.1Very low25.7Very low117 Ų117145.4 Ų145.463%0.62672%0.719SS**  trans-66.593.9169.4-139.6-13.9000105.7T8 N12 R13T8-N10 PolarHBondContact O-N 3.26Å; N10-N12 PolarHBondContact O-N 3.47Å; N10-R13 PolarHBondContact O-N 3.23Å
11R26.5Very low25.9Very low229 Ų229146.2 Ų146.286%0.86472%0.721SS**THydrogen-bonded Turntrans-57.711.8-172.2-77.2-179.4173.4175.8-1.4115.2C9C9-R11 PolarHBondContact O-N 3.28Å
12N27.5Very low26.1Very low149 Ų149148.3 Ų148.380%0.79772%0.718SS**THydrogen-bonded Turntrans-136.111.6-174.9-78.3-22.8000115.9N10 Q14N10-N12 PolarHBondContact O-N 3.47Å; N12-Q14 VanDerWaalsContact C-N 3.34Å; N12-Q14 PolarHBondContact O-N 3.34Å
13R26Very low26.4Very low183 Ų183147.1 Ų147.169%0.69172%0.715SS**  trans-81.381.4170.7-77.4-169.3178.5-176.61.2111.3N10 Y15N10-R13 PolarHBondContact O-N 3.23Å; R13-Y15 PolarHBondContact O-N 2.87Å
14Q26.3Very low26.5Very low172 Ų172150 Ų15080%0.80473%0.726SS**  trans-62.5115.8153.1-73.5177.90.600107.2N12 P16N12-Q14 VanDerWaalsContact C-N 3.34Å; N12-Q14 PolarHBondContact O-N 3.34Å; Q14-P16 VanDerWaalsContact O-CD 3.26Å; Q14-P16 WeakPolarHBondContact O-CD 3.38Å
15Y25.2Very low26.5Very low176 Ų176146.8 Ų146.869%0.6973%0.731SS**  trans-78.4113.6164.9-75.7-84.3000107.3R13 I17R13-Y15 PolarHBondContact O-N 2.87Å; Y15-I17 PolarHBondContact O-N 2.88Å
16P26.5Very low26.6Very low117 Ų117152.5 Ų152.576%0.7675%0.746SS**  trans-65.6119.6172.626.5-30.6000107.9Q14 P18Q14-P16 VanDerWaalsContact O-CD 3.26Å; Q14-P16 WeakPolarHBondContact O-CD 3.38Å; P16-P18 VanDerWaalsContact O-CD 3.24Å; P16-P18 WeakPolarHBondContact O-CD 3.33Å
17I27.2Very low26.5Very low95 Ų95153 Ų15349%0.48775%0.745SS.*  trans-76.4113.1165.4-59.4173.1000105.6Y15 Y19 I142Y15-I17 PolarHBondContact O-N 2.88Å; I17-Y19 HydrophobicContact CB-CE2 4.42Å; I17-Y19 HydrophobicContact CG2-CE2 4.49Å; I17-Y19 WeakPolarHBondContact O-CD2 3.3Å; I17-Y19 PolarHBondContact O-N 3.5Å; I17-I142 HydrophobicContact CD1-CD1 4.49Å
18P26.2Very low26.5Very low116 Ų116158.5 Ų158.575%0.75376%0.762SS**  trans-69107.3172.627.4-29.9000107.9P16P16-P18 VanDerWaalsContact O-CD 3.24Å; P16-P18 WeakPolarHBondContact O-CD 3.33Å
19Y26.8Very low26.5Very low143 Ų143158.4 Ų158.456%0.56176%0.761SS**  trans-74.4123164.9-69.8-87.5000107.2I17 E21I17-Y19 HydrophobicContact CB-CE2 4.42Å; I17-Y19 HydrophobicContact CG2-CE2 4.49Å; I17-Y19 WeakPolarHBondContact O-CD2 3.3Å; I17-Y19 PolarHBondContact O-N 3.5Å; Y19-E21 PolarHBondContact O-N 3.3Å
20Q26.6Very low26.5Very low185 Ų185161.8 Ų161.886%0.86477%0.767SS**  trans-63.5103.8164-84.4-179.3-21.400107.8R22Q20-R22 PolarHBondContact O-N 3.13Å; Q20-R22 VanDerWaalsContact O-N 3.16Å
21E29.5Very low26.5Very low162 Ų162162.4 Ų162.476%0.75777%0.77SS**  trans-58.3116161.6-76.8-178.6160.700107.6Y19 H23Y19-E21 PolarHBondContact O-N 3.3Å; E21-H23 VanDerWaalsContact C-N 3.27Å; E21-H23 PolarHBondContact O-N 2.85Å
22R27.5Very low26.5Very low241 Ų241157.7 Ų157.791%0.90977%0.767SS**  trans-69.189.2171.2-72.8-171.6-179.6-169.90.3108.1Q20Q20-R22 PolarHBondContact O-N 3.13Å; Q20-R22 VanDerWaalsContact O-N 3.16Å
23H28.5Very low26.3Very low161 Ų161159 Ų15975%0.74577%0.766SS**  trans-100.1114162.1-90.6-54.1000110E21 G25E21-H23 VanDerWaalsContact C-N 3.27Å; E21-H23 PolarHBondContact O-N 2.85Å; H23-G25 PolarHBondContact O-N 3.06Å
24N25.9Very low26.3Very low168 Ų168155.4 Ų155.490%0.89877%0.766SS**  trans-51.1119.8168.6-69.7-25.3000109.5
25G27Very low26.3Very low68 Ų68156.9 Ų156.970%0.70176%0.764SS**  trans161.599176.600000111.1H23 K27H23-G25 PolarHBondContact O-N 3.06Å; G25-K27 PolarHBondContact O-N 2.84Å; G25-K27 VanDerWaalsContact O-N 3.15Å
26Y24.1Very low26.4Very low239 Ų239157.6 Ų157.694%0.93777%0.766SS**  trans-30.2113.3166.4-81.1-104.6000113.3
27K26.7Very low26.4Very low192 Ų192157.2 Ų157.284%0.83576%0.764SS**  trans-165.7116.2144.7-106.2167.1-172.4-175.50108.8G25 V29G25-K27 PolarHBondContact O-N 2.84Å; G25-K27 VanDerWaalsContact O-N 3.15Å; K27-V29 PolarHBondContact O-N 2.76Å; K27-V29 VanDerWaalsContact O-N 3.15Å
28Q25.7Very low26.3Very low199 Ų199160.1 Ų160.193%0.9377%0.769SS**  trans-52.8115.4166.2-80.5171.6-27.400108.8
29V26.9Very low26.4Very low122 Ų122159.9 Ų159.974%0.73977%0.768SS**  trans-120.8109166.9-174.40000107.2K27K27-V29 PolarHBondContact O-N 2.76Å; K27-V29 VanDerWaalsContact O-N 3.15Å
30H25.2Very low26.3Very low164 Ų164159.9 Ų159.976%0.75978%0.783SS**  trans-55.7137.1170-86.1-80.6000111.1
31N25.7Very low26.3Very low130 Ų130156.5 Ų156.570%0.69577%0.774SS**  trans52.188.4154.1-72.8-14.5000119
32T26Very low26.1Very low129 Ų129155.8 Ų155.879%0.79178%0.776SS**  trans-140.972150.8450000110.9
33F23.9Very low26.1Very low178 Ų178152.9 Ų152.978%0.78177%0.77SS**  trans-62143.8158.8-75.9-84.3000108.9R35F33-R35 PolarHBondContact O-N 2.74Å
34P25.5Very low26Very low107 Ų107153.9 Ų153.970%0.69577%0.772SS**  trans-60.1102.3169.324.6-30.2000108.2W36P34-W36 PolarHBondContact O-N 2.74Å
35R25Very low26.2Very low202 Ų202153.8 Ų153.876%0.76277%0.77SS**  trans-65.1106.6170.3-104.5-177.9176.5-171-0.7106.8F33 Y38F33-R35 PolarHBondContact O-N 2.74Å; R35-Y38 VanDerWaalsContact CZ-OH 3.32Å; R35-Y38 PolarHBondContact NH2-OH 3.34Å
36W27.3Very low26.2Very low192 Ų192160.3 Ų160.373%0.72778%0.782SS**PPolyproline II helixtrans-52139.3163-70.686.6000108.7P34 Y38P34-W36 PolarHBondContact O-N 2.74Å; W36-Y38 PolarHBondContact O-N 2.7Å; W36-Y38 VanDerWaalsContact O-N 3.13Å
37P27.5Very low26.4Very low109 Ų109156.8 Ų156.871%0.70877%0.772SS**PPolyproline II helixtrans-54.4126.1176.422.3-31000108.4
38Y24.6Very low26.4Very low155 Ų155155.1 Ų155.161%0.60877%0.767SS**PPolyproline II helixtrans-47.4132175.6-82.7-95.8000109R35 W36 V40R35-Y38 VanDerWaalsContact CZ-OH 3.32Å; R35-Y38 PolarHBondContact NH2-OH 3.34Å; W36-Y38 PolarHBondContact O-N 2.7Å; W36-Y38 VanDerWaalsContact O-N 3.13Å; Y38-V40 PolarHBondContact O-N 3.01Å; Y38-V40 VanDerWaalsContact O-N 3.1Å
39P28.7Very low26.3Very low111 Ų111152 Ų15272%0.72176%0.764SS**PPolyproline II helixtrans-55.5124.8168.923.7-30.5000106.9V41P39-V41 VanDerWaalsContact C-N 3.35Å; P39-V41 PolarHBondContact O-N 2.93Å
40V25.2Very low26.2Very low144 Ų144150.1 Ų150.187%0.87375%0.747SS**  trans-57.2104.2176.8175.30000106.7Y38 N42Y38-V40 PolarHBondContact O-N 3.01Å; Y38-V40 VanDerWaalsContact O-N 3.1Å; V40-N42 PolarHBondContact O-N 2.81Å; V40-N42 VanDerWaalsContact O-N 3.1Å
41V25.7Very low26.1Very low114 Ų114152.1 Ų152.169%0.69175%0.748SS**  trans-59111.4174.4178.90000106.4P39 K43P39-V41 VanDerWaalsContact C-N 3.35Å; P39-V41 PolarHBondContact O-N 2.93Å; V41-K43 PolarHBondContact O-N 3.39Å
42N26.7Very low26Very low146 Ų146152.3 Ų152.378%0.78175%0.747SS**  trans-63108.9171.1-150.31.4000106.8V40 F44V40-N42 PolarHBondContact O-N 2.81Å; V40-N42 VanDerWaalsContact O-N 3.1Å; N42-F44 PolarHBondContact O-N 3.15Å
43K26.7Very low25.8Very low181 Ų181151.3 Ų151.379%0.78773%0.734SS**SBendtrans-76.848.1-174.1-73.8-173.9173.6-177.80111.9V41V41-K43 PolarHBondContact O-N 3.39Å
44F26.8Very low25.8Very low181 Ų181152 Ų15279%0.79473%0.732SS**SBendtrans-149.2122.4167.5-77-78.9000108.4N42N42-F44 PolarHBondContact O-N 3.15Å
45I29.8Very low25.6Very low166 Ų166155.3 Ų155.385%0.85174%0.738SS**  trans87.983.6-179.6-44.7165.3000113.9K47I45-K47 PolarHBondContact O-N 3.11Å
46Q26.3Very low25.7Very low206 Ų206152.4 Ų152.496%0.96373%0.731SS**  trans-79.786.2175.5-158.4173.524.800109.8
47K28.2Very low25.5Very low165 Ų165146 Ų14672%0.71773%0.726SS**  trans-129138158.5-85.7-167.4179.5-172.50108.5I45I45-K47 PolarHBondContact O-N 3.11Å
48Q26.8Very low25.4Very low157 Ų157148 Ų14873%0.73473%0.728SS**  trans-59.2154.6-165.5-62.5-165.12.500113.9E50Q48-E50 HydrophobicContact CB-CG 4.44Å; Q48-E50 PolarHBondContact O-N 3.42Å
49P24.9Very low25.5Very low134 Ų134149.3 Ų149.387%0.8774%0.74SS**  trans-70.186.4164.930.5-31.4000108.6
50E24.1Very low25.4Very low82 Ų82151.2 Ų151.238%0.38375%0.745SS.*  trans-78.2125.4170.9-76168.8147.400109.9Q48 Q218Q48-E50 HydrophobicContact CB-CG 4.44Å; Q48-E50 PolarHBondContact O-N 3.42Å; E50-Q218 VanDerWaalsContact CD-CG 3.43Å; E50-Q218 HydrophobicContact CG-CG 4.35Å; E50-Q218 WeakPolarHBondContact OE1-CG 3.36Å; E50-Q218 WeakPolarHBondContact OE2-CG 3.48Å; E50-Q218 PolarHBondContact OE2-NE2 3.4Å
51R22.9Very low25.4Very low205 Ų205153.9 Ų153.977%0.77474%0.744SS**  trans-59.6139.5177.3-79.7171.8160.8179.2-4.1111.1
52I23.8Very low25.5Very low134 Ų134155.7 Ų155.769%0.68775%0.749SS**  trans-104.5116.2163.2-59.9-178.6000108.8Y54I52-Y54 HydrophobicContact CG2-CD2 3.29Å; I52-Y54 HydrophobicContact CG2-CE2 3.07Å; I52-Y54 HydrophobicContact CG2-CG 4.42Å
53H21.8Very low25.5Very low108 Ų108157.8 Ų157.850%0.575%0.751SS.*  trans-89.6130.6166.5-79.816.8000109Q215H53-Q215 PolarHBondContact CD2-NE2 2.82Å; H53-Q215 PolarHBondContact CE1-NE2 2.82Å; H53-Q215 PolarHBondContact NE2-NE2 3.47Å
54Y23.4Very low25.4Very low193 Ų193154.2 Ų154.276%0.75774%0.737SS**  trans-138.1123.8161.4-77.7-66.5000110.9I52I52-Y54 HydrophobicContact CG2-CD2 3.29Å; I52-Y54 HydrophobicContact CG2-CE2 3.07Å; I52-Y54 HydrophobicContact CG2-CG 4.42Å
55H22.1Very low25.5Very low176 Ų176154.3 Ų154.382%0.81574%0.74SS**  trans-94134.8165.6-77.5-11.8000109
56F25.5Very low25.3Very low141 Ų141152.9 Ų152.962%0.61873%0.73SS**  trans-150.694.7152-75.5-59.7000110.6R199F56-R199 VanDerWaalsContact CZ-NH1 3.32Å
57G23.5Very low25.4Very low59 Ų59145.1 Ų145.161%0.60870%0.696SS**  trans-77.9173.3130.800000107.8
58I24.9Very low25.3Very low149 Ų149140.6 Ų140.676%0.76468%0.683SS**  cis-146.4161.26.7-55.2170.3000102.5
59E26.9Very low25.4Very low183 Ų183133.3 Ų133.386%0.85565%0.649SS**  trans96.7122.6166.6-52.8178.6176.400117.4
60D27.3Very low25.4Very low152 Ų152131.8 Ų131.881%0.81363%0.63SS**SBendtrans-23.9147.9166.8-69.7-49.1000117.4
61K25.8Very low25.7Very low199 Ų199128.2 Ų128.287%0.86561%0.614SS**  trans100.663.6167.7-54172-175.6178.20115.8
62L27.2Very low25.8Very low152 Ų152120.1 Ų120.180%0.79659%0.587SS**  trans-111.572.6152.2-88159.1000110E64L62-E64 PolarHBondContact O-N 2.99Å
63K25.6Very low25.9Very low190 Ų190120 Ų12083%0.82659%0.588SS**  trans-71101.4152.5-78.7-174.8175.6-176.10106.3
64E26.7Very low26.2Very low106 Ų106120.9 Ų120.950%0.49559%0.592SS.*SBendtrans164.7100.9146-91.8-17115100110.4L62 Q66 K185L62-E64 PolarHBondContact O-N 2.99Å; E64-Q66 PolarHBondContact O-N 3.43Å; E64-Q66 VanDerWaalsContact O-N 3.11Å; E64-K185 IonicContact OE1-NZ 3.98Å; E64-K185 PolarHBondContact OE1-NZ 3.43Å
65H27.2Very low26.5Very low183 Ų183113.5 Ų113.585%0.84756%0.564SS**  trans27.763.3161.5-58.4-61.5000119.2
66Q26.4Very low27.1Very low137 Ų137111.4 Ų111.464%0.6456%0.558SS**  trans-88.8122.8151.2-90.8-176.9-4.700109.5E64 V68E64-Q66 PolarHBondContact O-N 3.43Å; E64-Q66 VanDerWaalsContact O-N 3.11Å; Q66-V68 PolarHBondContact O-N 2.69Å
67V27.7Very low27.3Very low43 Ų43112.9 Ų112.926%0.26156%0.564SS.*  trans-8994.2169.1-177.70000106.2L69 H93V67-L69 HydrophobicContact CG1-CD1 4.04Å; V67-L69 HydrophobicContact CG1-CG 4.2Å; V67-L69 PolarHBondContact O-N 3.39Å; V67-H93 VanDerWaalsContact CG2-CD2 3.48Å; V67-H93 WeakPolarHBondContact CG2-CD2 3.36Å; V67-H93 WeakPolarHBondContact CG2-CE1 3.33Å; V67-H93 WeakPolarHBondContact CG2-ND1 2.97Å; V67-H93 WeakPolarHBondContact CG2-NE2 3.31Å
68V26.5Very low27.6Very low70 Ų70118.9 Ų118.942%0.42457%0.574SS.*EExtended strand (participates in β ladder)trans-73.2106.1172.1-177.20000107Q66 K173 L175Q66-V68 PolarHBondContact O-N 2.69Å; V68-K173 HydrophobicContact CG1-CD 4.13Å; V68-L175 HydrophobicContact CB-CD2 4.3Å; V68-L175 HydrophobicContact CG1-CD2 4.04Å; V68-L175 HydrophobicContact CG2-CD2 3.99Å
69L29.3Very low27.9Very low4 Ų4123.4 Ų123.42%0.02158%0.581CS.*EExtended strand (participates in β ladder)trans-104.898.2172.3-97.1153.7000107.6V67 V71 K81 V86 E89 L174 Y176V67-L69 HydrophobicContact CG1-CD1 4.04Å; V67-L69 HydrophobicContact CG1-CG 4.2Å; V67-L69 PolarHBondContact O-N 3.39Å; L69-V71 HydrophobicContact CB-CG2 4.26Å; L69-V71 WeakPolarHBondContact O-CG2 3.48Å; L69-V71 PolarHBondContact O-N 2.99Å; L69-K81 HydrophobicContact CD2-CD 3.86Å; L69-V86 HydrophobicContact CD1-CG1 4.19Å; L69-V86 HydrophobicContact CD2-CG2 4.25Å; L69-E89 VanDerWaalsContact CD2-OE2 3.23Å; L69-E89 WeakPolarHBondContact CD2-OE2 3.2Å; L69-E89 WeakPolarHBondContact CG-OE2 3.16Å; L69-L174 CarbonylContact C-O 3.52Å; L69-L174 CarbonylContact O-C 3.22Å; L69-L174 PolarHBondContact O-N 3.26Å; L69-Y176 HydrophobicContact CB-CD2 3.63Å; L69-Y176 HydrophobicContact CB-CE2 3.36Å; L69-Y176 HydrophobicContact CD1-CD2 3.49Å; L69-Y176 VanDerWaalsContact CD1-CD2 3.49Å; L69-Y176 HydrophobicContact CD1-CE2 3.47Å; L69-Y176 VanDerWaalsContact CD1-CE2 3.47Å; L69-Y176 HydrophobicContact CG-CD2 4.18Å; L69-Y176 HydrophobicContact CG-CE2 3.98Å
70E24.4Very low28.8Very low101 Ų101116.5 Ų116.547%0.47255%0.553SS.*  trans-54.7112.7174.4-67.2-170.2140.500110.5F75 K173E70-F75 VanDerWaalsContact O-CE2 3.29Å; E70-F75 WeakPolarHBondContact O-CE2 3.41Å; E70-K173 HydrophobicContact CG-CB 4.42Å; E70-K173 HydrophobicContact CG-CD 4.27Å; E70-K173 HydrophobicContact CG-CG 4.04Å; E70-K173 WeakPolarHBondContact OE1-CE 3.3Å
71V30.1Very low30.2Very low8 Ų8114 Ų1145%0.04854%0.535CS..  trans-130.898.5178.9179.80000106.3L69 F75 T172 L174 Y176L69-V71 HydrophobicContact CB-CG2 4.26Å; L69-V71 WeakPolarHBondContact O-CG2 3.48Å; L69-V71 PolarHBondContact O-N 2.99Å; V71-F75 HydrophobicContact CB-CB 4.47Å; V71-F75 HydrophobicContact CB-CD1 4.42Å; V71-F75 HydrophobicContact CB-CD2 3.53Å; V71-F75 HydrophobicContact CB-CE1 4.38Å; V71-F75 HydrophobicContact CB-CE2 3.49Å; V71-F75 VanDerWaalsContact CB-CE2 3.49Å; V71-F75 HydrophobicContact CB-CG 3.99Å; V71-F75 HydrophobicContact CB-CZ 3.91Å; V71-F75 HydrophobicContact CG1-CB 3.52Å; V71-F75 HydrophobicContact CG1-CD1 3.39Å; V71-F75 HydrophobicContact CG1-CD2 3.28Å; V71-F75 HydrophobicContact CG1-CE1 3.62Å; V71-F75 HydrophobicContact CG1-CE2 3.53Å; V71-F75 HydrophobicContact CG1-CG 3.17Å; V71-F75 HydrophobicContact CG1-CZ 3.67Å; V71-F75 HydrophobicContact CG2-CD2 3.83Å; V71-F75 HydrophobicContact CG2-CE1 4.04Å; V71-F75 HydrophobicContact CG2-CE2 3.19Å; V71-F75 HydrophobicContact CG2-CG 4.45Å; V71-F75 HydrophobicContact CG2-CZ 3.29Å; V71-T172 CarbonylContact C-O 3.5Å; V71-T172 CarbonylContact O-C 3.52Å; V71-L174 HydrophobicContact CB-CB 3.52Å; V71-L174 HydrophobicContact CB-CD1 3.38Å; V71-L174 HydrophobicContact CB-CG 3.38Å; V71-L174 HydrophobicContact CG1-CB 4.21Å; V71-L174 HydrophobicContact CG1-CD1 3.02Å; V71-L174 HydrophobicContact CG1-CG 3.64Å; V71-L174 HydrophobicContact CG2-CB 3.88Å; V71-L174 HydrophobicContact CG2-CD1 4.18Å; V71-L174 HydrophobicContact CG2-CG 4.25Å; V71-L174 WeakPolarHBondContact O-CG 3.41Å; V71-L174 PolarHBondContact O-N 3.4Å; V71-Y176 HydrophobicContact CG2-CE2 4Å; V71-Y176 WeakPolarHBondContact CG2-OH 3.47Å
72T26Very low32Very low35 Ų35107.5 Ų107.522%0.21551%0.514CS..  trans-79164179.844.90000110.7E74 F75 T172T72-E74 PolarHBondContact O-N 3.22Å; T72-E74 VanDerWaalsContact O-N 3.07Å; T72-E74 WeakPolarHBondContact OG1-CB 3.22Å; T72-F75 WeakPolarHBondContact O-CA 3.49Å; T72-F75 WeakPolarHBondContact O-CB 3.4Å; T72-F75 PolarHBondContact O-N 2.74Å; T72-T172 WeakPolarHBondContact CA-O 3.48Å; T72-T172 WeakPolarHBondContact CG2-O 3.21Å; T72-T172 PolarHBondContact N-O 3.06Å
73D26.3Very low34Very low131 Ų131101 Ų10170%0.70148%0.481SS*.THydrogen-bonded Turntrans-61.4-14.4165-73.1-45.2000111.3F75D73-F75 VanDerWaalsContact C-N 3.28Å; D73-F75 PolarHBondContact O-N 2.93Å
74E27.2Very low36.3Very low126 Ų12693.6 Ų93.659%0.58945%0.45SS*.THydrogen-bonded Turntrans-78.73.1165.5-62.4-171.7138.200114.9T72 L76 F77 K78T72-E74 PolarHBondContact O-N 3.22Å; T72-E74 VanDerWaalsContact O-N 3.07Å; T72-E74 WeakPolarHBondContact OG1-CB 3.22Å; E74-L76 PolarHBondContact O-N 2.74Å; E74-F77 PolarHBondContact O-N 3.25Å; E74-K78 PolarHBondContact O-N 3.31Å
75F30.7Very low38.5Very low38 Ų3890.9 Ų90.917%0.16744%0.442CS..THydrogen-bonded Turntrans-64-16.9-172.3-163.7-109.8000114.6E70 V71 T72 D73 S80 V86E70-F75 VanDerWaalsContact O-CE2 3.29Å; E70-F75 WeakPolarHBondContact O-CE2 3.41Å; V71-F75 HydrophobicContact CB-CB 4.47Å; V71-F75 HydrophobicContact CB-CD1 4.42Å; V71-F75 HydrophobicContact CB-CD2 3.53Å; V71-F75 HydrophobicContact CB-CE1 4.38Å; V71-F75 HydrophobicContact CB-CE2 3.49Å; V71-F75 VanDerWaalsContact CB-CE2 3.49Å; V71-F75 HydrophobicContact CB-CG 3.99Å; V71-F75 HydrophobicContact CB-CZ 3.91Å; V71-F75 HydrophobicContact CG1-CB 3.52Å; V71-F75 HydrophobicContact CG1-CD1 3.39Å; V71-F75 HydrophobicContact CG1-CD2 3.28Å; V71-F75 HydrophobicContact CG1-CE1 3.62Å; V71-F75 HydrophobicContact CG1-CE2 3.53Å; V71-F75 HydrophobicContact CG1-CG 3.17Å; V71-F75 HydrophobicContact CG1-CZ 3.67Å; V71-F75 HydrophobicContact CG2-CD2 3.83Å; V71-F75 HydrophobicContact CG2-CE1 4.04Å; V71-F75 HydrophobicContact CG2-CE2 3.19Å; V71-F75 HydrophobicContact CG2-CG 4.45Å; V71-F75 HydrophobicContact CG2-CZ 3.29Å; T72-F75 WeakPolarHBondContact O-CA 3.49Å; T72-F75 WeakPolarHBondContact O-CB 3.4Å; T72-F75 PolarHBondContact O-N 2.74Å; D73-F75 VanDerWaalsContact C-N 3.28Å; D73-F75 PolarHBondContact O-N 2.93Å; F75-S80 WeakPolarHBondContact CA-OG 3.05Å; F75-S80 WeakPolarHBondContact CD2-OG 3.26Å; F75-S80 WeakPolarHBondContact CG-OG 3.16Å; F75-V86 HydrophobicContact CE1-CG2 4.41Å; F75-V86 HydrophobicContact CZ-CG2 3.89Å
76L33Very low40.6Very low133 Ų13382.2 Ų82.270%0.69640%0.401SS*.THydrogen-bonded Turntrans-86.1-13.3172.8-76.6163.9000113.3E74E74-L76 PolarHBondContact O-N 2.74Å
77F30.2Very low42.9Very low171 Ų17175.7 Ų75.775%0.7537%0.371SS*.THydrogen-bonded Turntrans-131.9-18.3-158.9-82.2-74.8000120.4E74E74-F77 PolarHBondContact O-N 3.25Å
78K30Very low45.1Very low185 Ų18577.3 Ų77.380%0.80438%0.375SS*.SBendtrans-155.2-27.3179.1-108.6141.5-169.8-168.50122.1E74E74-K78 PolarHBondContact O-N 3.31Å
79R31.6Very low47Very low245 Ų24575.9 Ų75.993%0.92536%0.364SS*.SBendtrans-150.621-168.8-77.9-164.7172.6167.2-2.7118.8
80S46.3Very low48.9Very low38 Ų3876.3 Ų76.327%0.26637%0.366SS..SBendtrans-123157.8-176.153.50000113F75F75-S80 WeakPolarHBondContact CA-OG 3.05Å; F75-S80 WeakPolarHBondContact CD2-OG 3.26Å; F75-S80 WeakPolarHBondContact CG-OG 3.16Å
81K56.8Low51Low98 Ų9874.2 Ų74.243%0.42636%0.357SS..  trans-48135.8-172.2-68.9-180-172.4173.90111.7L69 C85 E89L69-K81 HydrophobicContact CD2-CD 3.86Å; K81-C85 HydrophobicContact CB-CB 4.25Å; K81-E89 WeakPolarHBondContact CD-OE1 3.29Å; K81-E89 WeakPolarHBondContact CE-OE1 3.1Å; K81-E89 IonicContact NZ-OE1 2.69Å; K81-E89 PolarHBondContact NZ-OE1 3.2Å; K81-E89 IonicContact NZ-OE2 3.88Å; K81-E89 PolarHBondContact NZ-OE2 3.31Å
82P63.6Low52.7Low64 Ų6480.8 Ų80.842%0.41639%0.387SS..  trans-52142.4175.5-28.235000112I84 C85 V86P82-I84 HydrophobicContact CB-CG2 3.73Å; P82-I84 PolarHBondContact O-N 3Å; P82-C85 WeakPolarHBondContact O-CA 3.4Å; P82-C85 VanDerWaalsContact O-CB 3.24Å; P82-C85 WeakPolarHBondContact O-CB 3.33Å; P82-C85 PolarHBondContact O-N 2.66Å; P82-V86 PolarHBondContact O-N 3.02Å
83P68.1Low54.3Low16 Ų1682.4 Ų82.410%0.10439%0.391CS..Hα-helixtrans-49.8-34.4176-30.135.3000113.4C85 V86 I87 H141 A144 C145 L148P83-C85 VanDerWaalsContact C-N 3.34Å; P83-C85 PolarHBondContact O-N 3.38Å; P83-V86 WeakPolarHBondContact O-CB 3.4Å; P83-V86 PolarHBondContact O-N 3.33Å; P83-I87 WeakPolarHBondContact O-CG1 3.17Å; P83-I87 PolarHBondContact O-N 3.01Å; P83-H141 WeakPolarHBondContact CD-CE1 3.49Å; P83-A144 HydrophobicContact CB-CB 3.84Å; P83-C145 VanDerWaalsContact CG-SG 3.53Å; P83-L148 HydrophobicContact CB-CD1 3.98Å
84I74.3Confident55.7Low34 Ų3476.4 Ų76.417%0.17436%0.359CS..Hα-helixtrans-62.6-39.1174.4-169.563.7000112.1P82 I87 H88 L100 M118 A144P82-I84 HydrophobicContact CB-CG2 3.73Å; P82-I84 PolarHBondContact O-N 3Å; I84-I87 PolarHBondContact O-N 3.48Å; I84-H88 PolarHBondContact O-N 3.48Å; I84-H88 VanDerWaalsContact O-N 3.1Å; I84-H88 PolarHBondContact O-ND1 2.78Å; I84-L100 HydrophobicContact CD1-CD1 4.17Å; I84-M118 HydrophobicContact CD1-CE 3.43Å; I84-M118 VanDerWaalsContact CD1-CE 3.43Å; I84-A144 HydrophobicContact CB-CB 4.31Å; I84-A144 HydrophobicContact CD1-CB 4.37Å
85C73.3Confident57.1Low49 Ų4974 Ų7433%0.33136%0.355SS..Hα-helixtrans-66.7-39.1175.7-630000111.2K81 P82 P83 I87 H88 E89K81-C85 HydrophobicContact CB-CB 4.25Å; P82-C85 WeakPolarHBondContact O-CA 3.4Å; P82-C85 VanDerWaalsContact O-CB 3.24Å; P82-C85 WeakPolarHBondContact O-CB 3.33Å; P82-C85 PolarHBondContact O-N 2.66Å; P83-C85 VanDerWaalsContact C-N 3.34Å; P83-C85 PolarHBondContact O-N 3.38Å; C85-I87 VanDerWaalsContact C-N 3.3Å; C85-I87 PolarHBondContact O-N 3.04Å; C85-H88 PolarHBondContact O-N 2.84Å; C85-E89 WeakPolarHBondContact O-CG 3.47Å; C85-E89 PolarHBondContact O-N 3.07Å
86V70Confident58.7Low0 Ų072.7 Ų72.70%035%0.35CS..Hα-helixtrans-59-43.9174.3-177.60000110.6L69 F75 P82 P83 E89 L90 L148 Y176L69-V86 HydrophobicContact CD1-CG1 4.19Å; L69-V86 HydrophobicContact CD2-CG2 4.25Å; F75-V86 HydrophobicContact CE1-CG2 4.41Å; F75-V86 HydrophobicContact CZ-CG2 3.89Å; P82-V86 PolarHBondContact O-N 3.02Å; P83-V86 WeakPolarHBondContact O-CB 3.4Å; P83-V86 PolarHBondContact O-N 3.33Å; V86-E89 PolarHBondContact O-N 3.46Å; V86-L90 HydrophobicContact CG1-CD1 4.27Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.92Å; V86-L148 HydrophobicContact CB-CD1 4.13Å; V86-L148 HydrophobicContact CB-CD2 4.5Å; V86-L148 HydrophobicContact CG1-CD1 4.14Å; V86-L148 HydrophobicContact CG1-CD2 3.89Å; V86-Y176 HydrophobicContact CG1-CE2 4.29Å
87I74.9Confident60.4Low0 Ų069.7 Ų69.70%034%0.341CS..Hα-helixtrans-64-41.4177.2-68.4178.9000112.4P83 I84 C85 E89 L90 E91 V98 M118 I120 A144 M147 L148P83-I87 WeakPolarHBondContact O-CG1 3.17Å; P83-I87 PolarHBondContact O-N 3.01Å; I84-I87 PolarHBondContact O-N 3.48Å; C85-I87 VanDerWaalsContact C-N 3.3Å; C85-I87 PolarHBondContact O-N 3.04Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 2.72Å; I87-L90 CarbonylContact O-C 3.44Å; I87-L90 WeakPolarHBondContact O-CB 3.42Å; I87-L90 PolarHBondContact O-N 3.3Å; I87-E91 PolarHBondContact O-N 2.88Å; I87-V98 HydrophobicContact CG2-CB 4.23Å; I87-V98 HydrophobicContact CG2-CG1 3.65Å; I87-V98 HydrophobicContact CG2-CG2 3.53Å; I87-M118 HydrophobicContact CD1-CE 3.88Å; I87-M118 HydrophobicContact CD1-SD 3.39Å; I87-M118 WeakPolarHBondContact CD1-SD 3.47Å; I87-M118 HydrophobicContact CG2-SD 4.36Å; I87-I120 HydrophobicContact CG2-CD1 4.01Å; I87-A144 VanDerWaalsContact CD1-CA 3.41Å; I87-A144 HydrophobicContact CD1-CB 3.54Å; I87-A144 WeakPolarHBondContact CD1-O 3.33Å; I87-M147 HydrophobicContact CD1-CB 3.85Å; I87-M147 HydrophobicContact CD1-CG 4.04Å; I87-L148 HydrophobicContact CD1-CG 4.14Å; I87-L148 HydrophobicContact CG1-CD1 4.37Å; I87-L148 HydrophobicContact CG1-CD2 3.72Å; I87-L148 HydrophobicContact CG1-CG 3.82Å
88H74.1Confident62.4Low77 Ų7762.7 Ų62.736%0.35631%0.312SS..Hα-helixtrans-67.1-32.2175.6-7188.8000111.9I84 C85 E91 H92I84-H88 PolarHBondContact O-N 3.48Å; I84-H88 VanDerWaalsContact O-N 3.1Å; I84-H88 PolarHBondContact O-ND1 2.78Å; C85-H88 PolarHBondContact O-N 2.84Å; H88-E91 IonicContact CD2-OE2 2.66Å; H88-E91 VanDerWaalsContact O-CB 3.24Å; H88-E91 WeakPolarHBondContact O-CB 3.16Å; H88-E91 PolarHBondContact O-N 2.78Å; H88-H92 PolarHBondContact O-CD2 3.16Å; H88-H92 PolarHBondContact O-N 3.4Å
89E67.9Low64.5Low41 Ų4154.6 Ų54.619%0.19228%0.281CS..Hα-helixtrans-66.3-44.7171.4-73.7175.8-157.200110.3L69 K81 C85 V86 I87 E91 H92 H93L69-E89 VanDerWaalsContact CD2-OE2 3.23Å; L69-E89 WeakPolarHBondContact CD2-OE2 3.2Å; L69-E89 WeakPolarHBondContact CG-OE2 3.16Å; K81-E89 WeakPolarHBondContact CD-OE1 3.29Å; K81-E89 WeakPolarHBondContact CE-OE1 3.1Å; K81-E89 IonicContact NZ-OE1 2.69Å; K81-E89 PolarHBondContact NZ-OE1 3.2Å; K81-E89 IonicContact NZ-OE2 3.88Å; K81-E89 PolarHBondContact NZ-OE2 3.31Å; C85-E89 WeakPolarHBondContact O-CG 3.47Å; C85-E89 PolarHBondContact O-N 3.07Å; V86-E89 PolarHBondContact O-N 3.46Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 2.72Å; E89-E91 VanDerWaalsContact C-N 3.27Å; E89-E91 PolarHBondContact O-N 2.92Å; E89-H92 PolarHBondContact O-N 3.06Å; E89-H92 VanDerWaalsContact O-N 3.16Å; E89-H93 PolarHBondContact O-CD2 3.43Å; E89-H93 PolarHBondContact O-N 3.24Å
90L67.3Low66.5Low12 Ų1245.5 Ų45.56%0.06325%0.25CS..Hα-helixtrans-60.4-34.6173.7-68.3170.9000112.8V86 I87 H92 H93 L94 L148 L151 I157V86-L90 HydrophobicContact CG1-CD1 4.27Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.92Å; I87-L90 CarbonylContact O-C 3.44Å; I87-L90 WeakPolarHBondContact O-CB 3.42Å; I87-L90 PolarHBondContact O-N 3.3Å; L90-H92 PolarHBondContact O-N 3.12Å; L90-H93 PolarHBondContact O-N 3.3Å; L90-L94 HydrophobicContact CB-CD1 4.19Å; L90-L94 HydrophobicContact CD2-CD1 3.96Å; L90-L94 HydrophobicContact CD2-CG 4.45Å; L90-L94 WeakPolarHBondContact O-CA 3.44Å; L90-L94 VanDerWaalsContact O-CB 3.24Å; L90-L94 WeakPolarHBondContact O-CB 2.98Å; L90-L94 PolarHBondContact O-N 3.33Å; L90-L148 HydrophobicContact CD1-CD2 3.52Å; L90-L151 HydrophobicContact CD1-CD1 4.39Å; L90-I157 HydrophobicContact CD1-CD1 3.45Å; L90-I157 VanDerWaalsContact CD1-CD1 3.45Å; L90-I157 HydrophobicContact CD2-CD1 3.78Å; L90-I157 HydrophobicContact CG-CD1 4.2Å
91E69.6Low67.7Low57 Ų5747.3 Ų47.327%0.26626%0.257SS..Hα-helixtrans-54-52.4172.5-163.2-176175.600110.8I87 H88 E89 C95 I96 V98I87-E91 PolarHBondContact O-N 2.88Å; H88-E91 IonicContact CD2-OE2 2.66Å; H88-E91 VanDerWaalsContact O-CB 3.24Å; H88-E91 WeakPolarHBondContact O-CB 3.16Å; H88-E91 PolarHBondContact O-N 2.78Å; E89-E91 VanDerWaalsContact C-N 3.27Å; E89-E91 PolarHBondContact O-N 2.92Å; E91-C95 WeakPolarHBondContact O-CA 3.43Å; E91-C95 PolarHBondContact O-N 2.85Å; E91-C95 VanDerWaalsContact O-N 3.16Å; E91-I96 WeakPolarHBondContact CA-O 3.35Å; E91-I96 WeakPolarHBondContact CG-O 3.41Å; E91-I96 PolarHBondContact O-N 3.47Å; E91-V98 HydrophobicContact CB-CG2 3.73Å; E91-V98 HydrophobicContact CG-CB 4.12Å; E91-V98 HydrophobicContact CG-CG2 3.74Å
92H66.3Low68.1Low147 Ų14744.7 Ų44.768%0.68125%0.251SS*.Hα-helixtrans-66-40.3179.3-72.9-62.1000112.6H88 E89 L90H88-H92 PolarHBondContact O-CD2 3.16Å; H88-H92 PolarHBondContact O-N 3.4Å; E89-H92 PolarHBondContact O-N 3.06Å; E89-H92 VanDerWaalsContact O-N 3.16Å; L90-H92 PolarHBondContact O-N 3.12Å
93H58.2Low67.9Low68 Ų6849.2 Ų49.232%0.31526%0.259SS..Hα-helixtrans-83.4-42.4-173.3-62-55.1000113.1V67 E89 L90 C95 F181V67-H93 VanDerWaalsContact CG2-CD2 3.48Å; V67-H93 WeakPolarHBondContact CG2-CD2 3.36Å; V67-H93 WeakPolarHBondContact CG2-CE1 3.33Å; V67-H93 WeakPolarHBondContact CG2-ND1 2.97Å; V67-H93 WeakPolarHBondContact CG2-NE2 3.31Å; E89-H93 PolarHBondContact O-CD2 3.43Å; E89-H93 PolarHBondContact O-N 3.24Å; L90-H93 PolarHBondContact O-N 3.3Å; H93-C95 VanDerWaalsContact C-N 3.3Å; H93-C95 PolarHBondContact O-N 3.49Å; H93-F181 HydrophobicContact CB-CE1 4.06Å; H93-F181 HydrophobicContact CB-CZ 3.66Å; H93-F181 WeakPolarHBondContact O-CE1 3.25Å; H93-F181 WeakPolarHBondContact O-CZ 3.33Å
94L56.5Low67.2Low5 Ų551.2 Ų51.23%0.02627%0.273CS..Hα-helixtrans-84.9-2.1179.7-62.2172.2000112.6L90 I96 N123 I157 S178 V180 F181L90-L94 HydrophobicContact CB-CD1 4.19Å; L90-L94 HydrophobicContact CD2-CD1 3.96Å; L90-L94 HydrophobicContact CD2-CG 4.45Å; L90-L94 WeakPolarHBondContact O-CA 3.44Å; L90-L94 VanDerWaalsContact O-CB 3.24Å; L90-L94 WeakPolarHBondContact O-CB 2.98Å; L90-L94 PolarHBondContact O-N 3.33Å; L94-I96 HydrophobicContact CB-CB 4.39Å; L94-I96 HydrophobicContact CB-CD1 3.45Å; L94-I96 VanDerWaalsContact CB-CD1 3.45Å; L94-I96 HydrophobicContact CB-CG1 3.59Å; L94-I96 HydrophobicContact CD1-CD1 3.61Å; L94-I96 HydrophobicContact CG-CD1 4.14Å; L94-I96 PolarHBondContact O-N 3.4Å; L94-N123 PolarHBondContact O-ND2 2.89Å; L94-I157 HydrophobicContact CD1-CD1 3.99Å; L94-I157 HydrophobicContact CD1-CG1 4.18Å; L94-S178 VanDerWaalsContact CD2-CB 3.49Å; L94-V180 HydrophobicContact CD2-CB 4.31Å; L94-F181 HydrophobicContact CD2-CD2 4.18Å; L94-F181 HydrophobicContact CD2-CE2 3.35Å; L94-F181 HydrophobicContact CD2-CZ 3.55Å; L94-F181 HydrophobicContact CG-CE2 4.28Å; L94-F181 HydrophobicContact CG-CZ 4.15Å
95C56.4Low66.1Low75 Ų7554.1 Ų54.151%0.50729%0.289SS..THydrogen-bonded Turntrans45.143.9-167.9-56.60000111.9E91 H93 R184E91-C95 WeakPolarHBondContact O-CA 3.43Å; E91-C95 PolarHBondContact O-N 2.85Å; E91-C95 VanDerWaalsContact O-N 3.16Å; H93-C95 VanDerWaalsContact C-N 3.3Å; H93-C95 PolarHBondContact O-N 3.49Å; C95-R184 VanDerWaalsContact CB-NH2 3.34Å; C95-R184 PolarHBondContact SG-NH1 2.97Å
96I64.1Low64.9Low11 Ų1159.6 Ų59.66%0.05631%0.307CS..PPolyproline II helixtrans-99.5141.4173.4-61.9169.7000106.7E91 L94 I120 T121 V125E91-I96 WeakPolarHBondContact CA-O 3.35Å; E91-I96 WeakPolarHBondContact CG-O 3.41Å; E91-I96 PolarHBondContact O-N 3.47Å; L94-I96 HydrophobicContact CB-CB 4.39Å; L94-I96 HydrophobicContact CB-CD1 3.45Å; L94-I96 VanDerWaalsContact CB-CD1 3.45Å; L94-I96 HydrophobicContact CB-CG1 3.59Å; L94-I96 HydrophobicContact CD1-CD1 3.61Å; L94-I96 HydrophobicContact CG-CD1 4.14Å; L94-I96 PolarHBondContact O-N 3.4Å; I96-I120 HydrophobicContact CB-CG2 4.32Å; I96-I120 HydrophobicContact CD1-CG2 4.19Å; I96-I120 HydrophobicContact CG2-CB 4.17Å; I96-I120 HydrophobicContact CG2-CG2 3.22Å; I96-T121 VanDerWaalsContact CG2-C 3.49Å; I96-V125 HydrophobicContact CD1-CB 4.44Å
97S69.7Low63.8Low71 Ų7164.5 Ų64.550%0.49733%0.334SS..EExtended strand (participates in β ladder)trans-83.6127.4170.8-56.70000109.5I120 T121S97-I120 WeakPolarHBondContact O-CA 3.27Å; S97-T121 WeakPolarHBondContact CB-O 3.32Å; S97-T121 PolarHBondContact N-O 2.73Å; S97-T121 PolarHBondContact O-N 3.35Å
98V71.7Confident62.6Low23 Ų2374.9 Ų74.914%0.13938%0.379CS..EExtended strand (participates in β ladder)trans-103.3117.8173.81790000108.2I87 E91 M118 H119 I120I87-V98 HydrophobicContact CG2-CB 4.23Å; I87-V98 HydrophobicContact CG2-CG1 3.65Å; I87-V98 HydrophobicContact CG2-CG2 3.53Å; E91-V98 HydrophobicContact CB-CG2 3.73Å; E91-V98 HydrophobicContact CG-CB 4.12Å; E91-V98 HydrophobicContact CG-CG2 3.74Å; V98-M118 HydrophobicContact CG1-CG 4.44Å; V98-H119 CarbonylContact C-O 3.6Å; V98-H119 WeakPolarHBondContact CA-O 2.9Å; V98-I120 HydrophobicContact CG1-CG1 4.47Å; V98-I120 HydrophobicContact CG2-CD1 4.26Å; V98-I120 HydrophobicContact CG2-CG1 4.03Å
99G73Confident61.6Low15 Ų1574.9 Ų74.916%0.15539%0.387CS..EExtended strand (participates in β ladder)trans-112151171.500000112.8M118 H119G99-M118 WeakPolarHBondContact O-CA 3.27Å; G99-H119 VanDerWaalsContact CA-CE1 3.49Å; G99-H119 WeakPolarHBondContact CA-CE1 3.45Å; G99-H119 VanDerWaalsContact CA-NE2 3.34Å; G99-H119 WeakPolarHBondContact CA-NE2 3.43Å; G99-H119 PolarHBondContact N-O 3.49Å; G99-H119 PolarHBondContact O-N 3.19Å
100L73.6Confident60.8Low54 Ų5481.4 Ų81.428%0.28342%0.416SS..EExtended strand (participates in β ladder)trans-131.8102.7-177.3-74.9166.8000109.9I84 I116 M118I84-L100 HydrophobicContact CD1-CD1 4.17Å; L100-I116 HydrophobicContact CD2-CG2 4Å; L100-M118 HydrophobicContact CD2-CB 3.76Å; L100-M118 HydrophobicContact CD2-CE 3.4Å; L100-M118 HydrophobicContact CD2-CG 3.87Å; L100-M118 HydrophobicContact CD2-SD 4.47Å; L100-M118 HydrophobicContact CG-CE 4.38Å
101D73.1Confident60.3Low76 Ų7684.8 Ų84.841%0.40644%0.438SS..EExtended strand (participates in β ladder)trans-94.8111.5174.9-59.7-45000109.4R103 Q117 H119D101-R103 PolarHBondContact O-N 3.19Å; D101-Q117 HydrophobicContact CB-CB 4.25Å; D101-Q117 PolarHBondContact N-O 3.05Å; D101-Q117 PolarHBondContact O-N 3.47Å; D101-H119 IonicContact OD1-CE1 3.12Å; D101-H119 IonicContact OD2-CE1 3.52Å; D101-H119 PolarHBondContact OD2-CE1 3.3Å; D101-H119 IonicContact OD2-ND1 3.02Å; D101-H119 PolarHBondContact OD2-ND1 2.76Å; D101-H119 VanDerWaalsContact OD2-ND1 3.12Å
102C63.6Low60.1Low44 Ų4487.8 Ų87.830%0.29745%0.45SS..EExtended strand (participates in β ladder)trans-89.4106.1175.7-169.90000108.9C104 I116C102-C104 PolarHBondContact O-N 3.38Å; C102-C104 VanDerWaalsContact SG-SG 3.68Å; C102-I116 HydrophobicContact CB-CG1 4.49Å
103R61.5Low60.1Low159 Ų15985.9 Ų85.960%0.644%0.441SS*.EExtended strand (participates in β ladder)trans-90.198168.3-67.5-169.7-178-166.1-0.3108.6D101 N105 T115D101-R103 PolarHBondContact O-N 3.19Å; R103-N105 PolarHBondContact O-N 3.06Å; R103-N105 VanDerWaalsContact O-N 3.15Å; R103-T115 CarbonylContact C-O 3.56Å; R103-T115 WeakPolarHBondContact CA-O 3.41Å; R103-T115 PolarHBondContact N-O 3.27Å; R103-T115 WeakPolarHBondContact O-CB 3.23Å; R103-T115 PolarHBondContact O-N 3.03Å; R103-T115 VanDerWaalsContact O-N 3.11Å
104C52.3Low60.4Low58 Ų5885.1 Ų85.139%0.39244%0.438SS..  trans-78.792167.8-62.90000107.9C102 F106C102-C104 PolarHBondContact O-N 3.38Å; C102-C104 VanDerWaalsContact SG-SG 3.68Å; C104-F106 VanDerWaalsContact C-N 3.3Å; C104-F106 HydrophobicContact CB-CD2 3.99Å; C104-F106 HydrophobicContact CB-CE2 3.85Å; C104-F106 PolarHBondContact O-N 3.3Å
105N50.4Low61.2Low94 Ų9486 Ų8650%0.50344%0.443SS..  trans-71.499.4159.1-73.91.1000105.8R103 D107R103-N105 PolarHBondContact O-N 3.06Å; R103-N105 VanDerWaalsContact O-N 3.15Å; N105-D107 PolarHBondContact O-N 2.63Å
106F48.1Very low61.8Low164 Ų16482.4 Ų82.472%0.71942%0.42SS*.  trans-71.967.5164.3-79.6-85.9000107.9C104 K108C104-F106 VanDerWaalsContact C-N 3.3Å; C104-F106 HydrophobicContact CB-CD2 3.99Å; C104-F106 HydrophobicContact CB-CE2 3.85Å; C104-F106 PolarHBondContact O-N 3.3Å; F106-K108 PolarHBondContact O-N 3.04Å
107D48.4Very low62.6Low103 Ų10384.3 Ų84.355%0.55143%0.428SS*.  trans-66.3122.6162.7-79.3-30.4000106.5N105 S109N105-D107 PolarHBondContact O-N 2.63Å; D107-S109 WeakPolarHBondContact CB-OG 3.35Å; D107-S109 PolarHBondContact O-N 3.47Å
108K49.9Very low62.9Low218 Ų21880.9 Ų80.995%0.94840%0.404SS*.SBendtrans-65.2-2.4177.4-67.1179.3180176.70111.8F106F106-K108 PolarHBondContact O-N 3.04Å
109S52.6Low63.4Low77 Ų7782.4 Ų82.454%0.53841%0.41SS..SBendtrans-78.2120.417150.40000110.4D107 P111D107-S109 WeakPolarHBondContact CB-OG 3.35Å; D107-S109 PolarHBondContact O-N 3.47Å; S109-P111 CarbonylContact O-C 3.47Å
110F51.8Low63.4Low179 Ų17981.8 Ų81.879%0.78540%0.403SS*.SBendtrans-67.4140.6161.9-101.3-97.4000109.1
111P56.7Low63.1Low82 Ų8282 Ų8253%0.53241%0.407SS..SBendcis-84.8136.30.431.8-31.2000112.6S109 Q113S109-P111 CarbonylContact O-C 3.47Å; P111-Q113 WeakPolarHBondContact O-CG 3.12Å; P111-Q113 PolarHBondContact O-N 2.87Å; P111-Q113 VanDerWaalsContact O-N 3.1Å
112K64.1Low62.6Low121 Ų12179.4 Ų79.453%0.52640%0.398SS..PPolyproline II helixtrans-51.3117.4175.1-68179.2-178.1175.70110.2
113Q65.8Low62.3Low106 Ų10680.2 Ų80.250%0.49540%0.399SS..PPolyproline II helixtrans-100.3145.3173.3-61.6-171.1-0.400110P111 A133P111-Q113 WeakPolarHBondContact O-CG 3.12Å; P111-Q113 PolarHBondContact O-N 2.87Å; P111-Q113 VanDerWaalsContact O-N 3.1Å; Q113-A133 CarbonylContact C-O 3.52Å; Q113-A133 WeakPolarHBondContact CA-O 3.44Å
114Q65.7Low62.1Low53 Ų5380 Ų8025%0.24841%0.41CS..EExtended strand (participates in β ladder)trans-120.1127.7173.5-63.3-167.10.700109.1T132 A133 A139Q114-T132 WeakPolarHBondContact O-CA 3.37Å; Q114-A133 PolarHBondContact N-O 3.16Å; Q114-A133 PolarHBondContact O-N 3.23Å; Q114-A139 WeakPolarHBondContact O-CB 3.18Å
115T72.1Confident62.5Low22 Ų2277.7 Ų77.714%0.13539%0.394CS..EExtended strand (participates in β ladder)trans-102.5127.3179.3-50.10000108.8R103 V130 A131 T132R103-T115 CarbonylContact C-O 3.56Å; R103-T115 WeakPolarHBondContact CA-O 3.41Å; R103-T115 PolarHBondContact N-O 3.27Å; R103-T115 WeakPolarHBondContact O-CB 3.23Å; R103-T115 PolarHBondContact O-N 3.03Å; R103-T115 VanDerWaalsContact O-N 3.11Å; T115-V130 HydrophobicContact CG2-CG1 3.54Å; T115-A131 CarbonylContact C-O 3.57Å; T115-A131 WeakPolarHBondContact CA-O 3.45Å; T115-T132 HydrophobicContact CG2-CG2 3.78Å; T115-T132 WeakPolarHBondContact OG1-CG2 3.24Å
116I70.4Confident63.4Low1 Ų178 Ų781%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-121.1125.5175.1-64.7-171.2000108.7L100 C102 V130 A131 K136 A139 K140 A143L100-I116 HydrophobicContact CD2-CG2 4Å; C102-I116 HydrophobicContact CB-CG1 4.49Å; I116-V130 CarbonylContact O-C 3.5Å; I116-V130 WeakPolarHBondContact O-CA 3.46Å; I116-A131 PolarHBondContact N-O 3.29Å; I116-A131 PolarHBondContact O-N 2.84Å; I116-K136 HydrophobicContact CD1-CG 3.73Å; I116-K136 VanDerWaalsContact CD1-O 3.31Å; I116-K136 WeakPolarHBondContact CD1-O 3.31Å; I116-A139 HydrophobicContact CB-CB 4.08Å; I116-A139 HydrophobicContact CD1-CB 3.78Å; I116-A139 HydrophobicContact CG1-CB 3.72Å; I116-K140 HydrophobicContact CD1-CB 4.18Å; I116-K140 HydrophobicContact CD1-CD 4.35Å; I116-K140 HydrophobicContact CD1-CG 3.25Å; I116-K140 HydrophobicContact CG2-CG 4.37Å; I116-A143 HydrophobicContact CG2-CB 4.4Å
117Q79.8Confident64.4Low50 Ų5071.6 Ų71.623%0.23438%0.377CS..EExtended strand (participates in β ladder)trans-101.4117.2170.8178.2171.66.800107.8D101 T129 V130D101-Q117 HydrophobicContact CB-CB 4.25Å; D101-Q117 PolarHBondContact N-O 3.05Å; D101-Q117 PolarHBondContact O-N 3.47Å; Q117-T129 CarbonylContact C-O 3.58Å; Q117-T129 VanDerWaalsContact CA-O 3.29Å; Q117-T129 WeakPolarHBondContact CA-O 3.22Å; Q117-V130 HydrophobicContact CB-CG2 4.09Å; Q117-V130 HydrophobicContact CG-CG2 3.95Å
118M76.5Confident65.8Low0 Ų070.5 Ų70.50%038%0.377CS..EExtended strand (participates in β ladder)trans-100.9136.4172.2178.5179-78.900108.2I84 I87 V98 G99 L100 S128 T129 A143 A144 M147I84-M118 HydrophobicContact CD1-CE 3.43Å; I84-M118 VanDerWaalsContact CD1-CE 3.43Å; I87-M118 HydrophobicContact CD1-CE 3.88Å; I87-M118 HydrophobicContact CD1-SD 3.39Å; I87-M118 WeakPolarHBondContact CD1-SD 3.47Å; I87-M118 HydrophobicContact CG2-SD 4.36Å; V98-M118 HydrophobicContact CG1-CG 4.44Å; G99-M118 WeakPolarHBondContact O-CA 3.27Å; L100-M118 HydrophobicContact CD2-CB 3.76Å; L100-M118 HydrophobicContact CD2-CE 3.4Å; L100-M118 HydrophobicContact CD2-CG 3.87Å; L100-M118 HydrophobicContact CD2-SD 4.47Å; L100-M118 HydrophobicContact CG-CE 4.38Å; M118-S128 CarbonylContact O-C 3.34Å; M118-S128 VanDerWaalsContact O-CA 3.25Å; M118-S128 WeakPolarHBondContact O-CA 3.46Å; M118-T129 PolarHBondContact N-O 3.22Å; M118-T129 PolarHBondContact O-N 2.75Å; M118-A143 HydrophobicContact CB-CB 4.14Å; M118-A144 HydrophobicContact CE-CB 3.9Å; M118-A144 HydrophobicContact SD-CB 4.5Å; M118-M147 HydrophobicContact CB-CE 4.23Å; M118-M147 HydrophobicContact CG-CE 3.85Å; M118-M147 WeakPolarHBondContact O-CE 3.32Å; M118-M147 HydrophobicContact SD-CB 3.74Å; M118-M147 HydrophobicContact SD-CE 4.35Å; M118-M147 HydrophobicContact SD-CG 3.91Å
119H82.2Confident66.8Low54 Ų5461 Ų6125%0.2534%0.337CS..EExtended strand (participates in β ladder)trans-130.1144.1174.959.3-97.4000110.2V98 G99 D101 A127V98-H119 CarbonylContact C-O 3.6Å; V98-H119 WeakPolarHBondContact CA-O 2.9Å; G99-H119 VanDerWaalsContact CA-CE1 3.49Å; G99-H119 WeakPolarHBondContact CA-CE1 3.45Å; G99-H119 VanDerWaalsContact CA-NE2 3.34Å; G99-H119 WeakPolarHBondContact CA-NE2 3.43Å; G99-H119 PolarHBondContact N-O 3.49Å; G99-H119 PolarHBondContact O-N 3.19Å; D101-H119 IonicContact OD1-CE1 3.12Å; D101-H119 IonicContact OD2-CE1 3.52Å; D101-H119 PolarHBondContact OD2-CE1 3.3Å; D101-H119 IonicContact OD2-ND1 3.02Å; D101-H119 PolarHBondContact OD2-ND1 2.76Å; D101-H119 VanDerWaalsContact OD2-ND1 3.12Å; H119-A127 CarbonylContact C-O 3.59Å; H119-A127 WeakPolarHBondContact CA-O 3.45Å
120I72Confident67.8Low3 Ų361 Ų612%0.01533%0.334CS..EExtended strand (participates in β ladder)trans-127.5117.4-178.7-76.6-166.7000105.7I87 I96 S97 V98 V125 T126 A127 M147 L151I87-I120 HydrophobicContact CG2-CD1 4.01Å; I96-I120 HydrophobicContact CB-CG2 4.32Å; I96-I120 HydrophobicContact CD1-CG2 4.19Å; I96-I120 HydrophobicContact CG2-CB 4.17Å; I96-I120 HydrophobicContact CG2-CG2 3.22Å; S97-I120 WeakPolarHBondContact O-CA 3.27Å; V98-I120 HydrophobicContact CG1-CG1 4.47Å; V98-I120 HydrophobicContact CG2-CD1 4.26Å; V98-I120 HydrophobicContact CG2-CG1 4.03Å; I120-V125 HydrophobicContact CG2-CG1 4.33Å; I120-T126 CarbonylContact O-C 3.41Å; I120-T126 WeakPolarHBondContact O-CA 3.42Å; I120-A127 HydrophobicContact CB-CB 4.39Å; I120-A127 PolarHBondContact N-O 3.5Å; I120-A127 PolarHBondContact O-N 3.34Å; I120-M147 HydrophobicContact CB-CE 4.24Å; I120-M147 HydrophobicContact CB-SD 4.15Å; I120-M147 HydrophobicContact CD1-CE 4.29Å; I120-M147 HydrophobicContact CD1-CG 3.26Å; I120-M147 HydrophobicContact CD1-SD 3.7Å; I120-M147 HydrophobicContact CG1-CE 3.93Å; I120-M147 HydrophobicContact CG1-CG 3.96Å; I120-M147 HydrophobicContact CG1-SD 3.91Å; I120-L151 HydrophobicContact CD1-CD1 3.8Å
121T68.9Low68.3Low59 Ų5952.7 Ų52.736%0.36230%0.299SS..EExtended strand (participates in β ladder)trans-134.7115.9-175.756.50000110.9I96 S97 V125 T126I96-T121 VanDerWaalsContact CG2-C 3.49Å; S97-T121 WeakPolarHBondContact CB-O 3.32Å; S97-T121 PolarHBondContact N-O 2.73Å; S97-T121 PolarHBondContact O-N 3.35Å; T121-V125 CarbonylContact C-O 3.34Å; T121-V125 WeakPolarHBondContact CA-O 3.4Å; T121-T126 HydrophobicContact CG2-CG2 4.31Å
122G61.1Low68.7Low21 Ų2152 Ų5222%0.21629%0.293CS..EExtended strand (participates in β ladder)trans164.6155.6176.200000112.4N124 V125G122-N124 VanDerWaalsContact C-N 3.33Å; G122-N124 PolarHBondContact O-N 3.23Å; G122-V125 PolarHBondContact N-O 2.67Å; G122-V125 WeakPolarHBondContact O-CA 3.24Å; G122-V125 VanDerWaalsContact O-CB 3.29Å; G122-V125 WeakPolarHBondContact O-CB 3.12Å; G122-V125 PolarHBondContact O-N 3.1Å
123N58.2Low68.7Low61 Ų6146.7 Ų46.733%0.32627%0.272SS..THydrogen-bonded Turntrans45.549.6179-72.2-18000114.9L94 V125 V180 R184L94-N123 PolarHBondContact O-ND2 2.89Å; N123-V125 PolarHBondContact O-N 3.35Å; N123-V125 VanDerWaalsContact O-N 3.13Å; N123-V180 HydrophobicContact CB-CG1 4.15Å; N123-V180 VanDerWaalsContact ND2-CG1 3.3Å; N123-V180 WeakPolarHBondContact ND2-CG1 3.44Å; N123-R184 PolarHBondContact ND2-NH2 3.23Å; N123-R184 PolarHBondContact OD1-NH2 3.01Å
124N57.5Low68.8Low153 Ų15348.9 Ų48.982%0.81828%0.275SS*.THydrogen-bonded Turntrans62.112.5-176.9-54.4-41.9000115.1G122G122-N124 VanDerWaalsContact C-N 3.33Å; G122-N124 PolarHBondContact O-N 3.23Å
125V61.2Low68.9Low10 Ų1049.1 Ų49.16%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-103.6119.3172.5-178.70000108.3I96 I120 T121 G122 N123 L151 L156I96-V125 HydrophobicContact CD1-CB 4.44Å; I120-V125 HydrophobicContact CG2-CG1 4.33Å; T121-V125 CarbonylContact C-O 3.34Å; T121-V125 WeakPolarHBondContact CA-O 3.4Å; G122-V125 PolarHBondContact N-O 2.67Å; G122-V125 WeakPolarHBondContact O-CA 3.24Å; G122-V125 VanDerWaalsContact O-CB 3.29Å; G122-V125 WeakPolarHBondContact O-CB 3.12Å; G122-V125 PolarHBondContact O-N 3.1Å; N123-V125 PolarHBondContact O-N 3.35Å; N123-V125 VanDerWaalsContact O-N 3.13Å; V125-L151 HydrophobicContact CG1-CD2 4.08Å; V125-L156 HydrophobicContact CB-CD1 4.09Å; V125-L156 HydrophobicContact CG1-CD1 3.43Å; V125-L156 VanDerWaalsContact CG1-CD1 3.43Å; V125-L156 HydrophobicContact CG2-CD1 3.52Å; V125-L156 HydrophobicContact CG2-CD2 3.69Å; V125-L156 HydrophobicContact CG2-CG 4.21Å
126T69.2Low69.2Low100 Ų10052.9 Ų52.961%0.61329%0.293SS*.EExtended strand (participates in β ladder)trans-123.3115.3165.551.90000108.1I120 T121I120-T126 CarbonylContact O-C 3.41Å; I120-T126 WeakPolarHBondContact O-CA 3.42Å; T121-T126 HydrophobicContact CG2-CG2 4.31Å
127A68.3Low69.4Low30 Ų3063.1 Ų63.125%0.24833%0.331CS..EExtended strand (participates in β ladder)trans-133.4144178.300000109.6H119 I120 M147H119-A127 CarbonylContact C-O 3.59Å; H119-A127 WeakPolarHBondContact CA-O 3.45Å; I120-A127 HydrophobicContact CB-CB 4.39Å; I120-A127 PolarHBondContact N-O 3.5Å; I120-A127 PolarHBondContact O-N 3.34Å; A127-M147 HydrophobicContact CB-CE 4.33Å; A127-M147 HydrophobicContact CB-SD 3.65Å
128S78.4Confident68.7Low80 Ų8064.5 Ų64.556%0.55934%0.338SS*.EExtended strand (participates in β ladder)trans-137.9141.9175.167.80000110.4M118M118-S128 CarbonylContact O-C 3.34Å; M118-S128 VanDerWaalsContact O-CA 3.25Å; M118-S128 WeakPolarHBondContact O-CA 3.46Å
129T70.6Confident68Low19 Ų1964.5 Ų64.512%0.11734%0.338CS..EExtended strand (participates in β ladder)trans-133.6146.7174.460.20000109.7Q117 M118 A143 L146 M147Q117-T129 CarbonylContact C-O 3.58Å; Q117-T129 VanDerWaalsContact CA-O 3.29Å; Q117-T129 WeakPolarHBondContact CA-O 3.22Å; M118-T129 PolarHBondContact N-O 3.22Å; M118-T129 PolarHBondContact O-N 2.75Å; T129-A143 PolarHBondContact OG1-O 2.96Å; T129-L146 HydrophobicContact CG2-CB 3.94Å; T129-M147 HydrophobicContact CG2-CB 3.99Å; T129-M147 HydrophobicContact CG2-CE 3.86Å; T129-M147 HydrophobicContact CG2-SD 4.07Å
130V72.4Confident67.7Low77 Ų7765.4 Ų65.447%0.46734%0.341SS..EExtended strand (participates in β ladder)trans-126.8130.2177.6-176.50000107.8T115 I116 Q117T115-V130 HydrophobicContact CG2-CG1 3.54Å; I116-V130 CarbonylContact O-C 3.5Å; I116-V130 WeakPolarHBondContact O-CA 3.46Å; Q117-V130 HydrophobicContact CB-CG2 4.09Å; Q117-V130 HydrophobicContact CG-CG2 3.95Å
131A63.2Low67.6Low5 Ų569.3 Ų69.34%0.04136%0.359CS..EExtended strand (participates in β ladder)trans-132.9139.5175.400000111T115 I116 I142 A143 L146T115-A131 CarbonylContact C-O 3.57Å; T115-A131 WeakPolarHBondContact CA-O 3.45Å; I116-A131 PolarHBondContact N-O 3.29Å; I116-A131 PolarHBondContact O-N 2.84Å; A131-I142 HydrophobicContact CB-CB 3.83Å; A131-I142 HydrophobicContact CB-CG2 3.61Å; A131-A143 HydrophobicContact CB-CB 3.86Å; A131-L146 HydrophobicContact CB-CD1 4.47Å
132T64.7Low67.3Low67 Ų6769 Ų6941%0.41135%0.354SS..EExtended strand (participates in β ladder)trans-110.6135.2173.8530000109.5Q114 T115Q114-T132 WeakPolarHBondContact O-CA 3.37Å; T115-T132 HydrophobicContact CG2-CG2 3.78Å; T115-T132 WeakPolarHBondContact OG1-CG2 3.24Å
133A65.3Low67.5Low10 Ų1068 Ų688%0.08334%0.344CS..EExtended strand (participates in β ladder)trans-149.7176.317600000112Q113 Q114 N135 E138 A139 I142Q113-A133 CarbonylContact C-O 3.52Å; Q113-A133 WeakPolarHBondContact CA-O 3.44Å; Q114-A133 PolarHBondContact N-O 3.16Å; Q114-A133 PolarHBondContact O-N 3.23Å; A133-N135 VanDerWaalsContact C-N 3.25Å; A133-N135 PolarHBondContact O-N 2.79Å; A133-E138 HydrophobicContact CB-CB 3.53Å; A133-A139 HydrophobicContact CB-CB 3.82Å; A133-A139 VanDerWaalsContact CB-N 3.33Å; A133-I142 HydrophobicContact CB-CD1 4.13Å
134R66.1Low68.2Low152 Ų15265 Ų6557%0.57433%0.328SS*.SBendtrans-69.7-23.9179.7-60.7178.7-178.1-174.70.4112.6
135N69.8Low68.5Low58 Ų5859.3 Ų59.331%0.3130%0.3SS..SBendtrans-145.1164.1-18066.251.6000112.3A133 R137 E138 A139A133-N135 VanDerWaalsContact C-N 3.25Å; A133-N135 PolarHBondContact O-N 2.79Å; N135-R137 PolarHBondContact O-N 2.69Å; N135-R137 PolarHBondContact OD1-N 2.87Å; N135-R137 VanDerWaalsContact OD1-N 3.13Å; N135-E138 PolarHBondContact ND2-OE1 3.01Å; N135-E138 PolarHBondContact O-N 3.41Å; N135-E138 VanDerWaalsContact OD1-CB 3.3Å; N135-E138 WeakPolarHBondContact OD1-CB 3.38Å; N135-E138 VanDerWaalsContact OD1-CG 3.31Å; N135-E138 WeakPolarHBondContact OD1-CG 3.45Å; N135-E138 PolarHBondContact OD1-N 2.9Å; N135-A139 PolarHBondContact O-N 3.19Å
136K77.1Confident68.8Low101 Ų10162.5 Ų62.544%0.43932%0.316SS..Hα-helixtrans-57.8-38.4-178.2-153.1172.2176.5166.70112.3I116 K140I116-K136 HydrophobicContact CD1-CG 3.73Å; I116-K136 VanDerWaalsContact CD1-O 3.31Å; I116-K136 WeakPolarHBondContact CD1-O 3.31Å; K136-K140 WeakPolarHBondContact O-CB 3.37Å; K136-K140 VanDerWaalsContact O-CG 3.29Å; K136-K140 WeakPolarHBondContact O-CG 3.24Å; K136-K140 PolarHBondContact O-N 3.23Å
137R75Confident69Low216 Ų21657.8 Ų57.882%0.81529%0.287SS*.Hα-helixtrans-70-45.5-172.6-172.2-179.1-176.4-166.70.5110.8N135 K140 H141N135-R137 PolarHBondContact O-N 2.69Å; N135-R137 PolarHBondContact OD1-N 2.87Å; N135-R137 VanDerWaalsContact OD1-N 3.13Å; R137-K140 PolarHBondContact O-N 3.49Å; R137-H141 WeakPolarHBondContact O-CB 3.45Å; R137-H141 PolarHBondContact O-N 2.89Å
138E64.3Low69.1Low78 Ų7857.1 Ų57.136%0.36428%0.279SS..Hα-helixtrans-64.6-47.3174.9-74.9166.6-158.600110.9A133 N135 K140 H141 I142A133-E138 HydrophobicContact CB-CB 3.53Å; N135-E138 PolarHBondContact ND2-OE1 3.01Å; N135-E138 PolarHBondContact O-N 3.41Å; N135-E138 VanDerWaalsContact OD1-CB 3.3Å; N135-E138 WeakPolarHBondContact OD1-CB 3.38Å; N135-E138 VanDerWaalsContact OD1-CG 3.31Å; N135-E138 WeakPolarHBondContact OD1-CG 3.45Å; N135-E138 PolarHBondContact OD1-N 2.9Å; E138-K140 VanDerWaalsContact C-N 3.28Å; E138-K140 PolarHBondContact O-N 2.96Å; E138-H141 PolarHBondContact O-N 3.21Å; E138-H141 VanDerWaalsContact O-N 3.1Å; E138-I142 VanDerWaalsContact O-CG1 3.3Å; E138-I142 WeakPolarHBondContact O-CG1 3.34Å; E138-I142 PolarHBondContact O-N 3.46Å
139A63.5Low68.3Low0 Ų056.1 Ų56.10%027%0.268CS..Hα-helixtrans-59.6-40.5178.500000111.4Q114 I116 A133 N135 A143Q114-A139 WeakPolarHBondContact O-CB 3.18Å; I116-A139 HydrophobicContact CB-CB 4.08Å; I116-A139 HydrophobicContact CD1-CB 3.78Å; I116-A139 HydrophobicContact CG1-CB 3.72Å; A133-A139 HydrophobicContact CB-CB 3.82Å; A133-A139 VanDerWaalsContact CB-N 3.33Å; N135-A139 PolarHBondContact O-N 3.19Å; A139-A143 VanDerWaalsContact O-CB 3.26Å; A139-A143 WeakPolarHBondContact O-CB 2.92Å; A139-A143 PolarHBondContact O-N 3.3Å
140K74.2Confident67.9Low73 Ų7356.9 Ų56.932%0.31728%0.279SS..Hα-helixtrans-63.4-44.5174.6-77.2-169.1-178.8-167.50111.9I116 K136 R137 E138 A144I116-K140 HydrophobicContact CD1-CB 4.18Å; I116-K140 HydrophobicContact CD1-CD 4.35Å; I116-K140 HydrophobicContact CD1-CG 3.25Å; I116-K140 HydrophobicContact CG2-CG 4.37Å; K136-K140 WeakPolarHBondContact O-CB 3.37Å; K136-K140 VanDerWaalsContact O-CG 3.29Å; K136-K140 WeakPolarHBondContact O-CG 3.24Å; K136-K140 PolarHBondContact O-N 3.23Å; R137-K140 PolarHBondContact O-N 3.49Å; E138-K140 VanDerWaalsContact C-N 3.28Å; E138-K140 PolarHBondContact O-N 2.96Å; K140-A144 WeakPolarHBondContact O-CB 3.33Å; K140-A144 PolarHBondContact O-N 3.23Å
141H70.4Confident67.5Low85 Ų8553.3 Ų53.339%0.39426%0.258SS..Hα-helixtrans-64.2-46-178.4-173.694.8000111.1P83 R137 E138 A144 C145P83-H141 WeakPolarHBondContact CD-CE1 3.49Å; R137-H141 WeakPolarHBondContact O-CB 3.45Å; R137-H141 PolarHBondContact O-N 2.89Å; E138-H141 PolarHBondContact O-N 3.21Å; E138-H141 VanDerWaalsContact O-N 3.1Å; H141-A144 WeakPolarHBondContact O-CB 3.21Å; H141-A144 PolarHBondContact O-N 3Å; H141-C145 PolarHBondContact O-N 3.03Å; H141-C145 PolarHBondContact O-SG 2.97Å
142I62.8Low67.4Low52 Ų5256 Ų5627%0.26727%0.271SS..Hα-helixtrans-65.3-45.2178-62.7167.1000110.6I17 A131 A133 E138 A144 C145 L146I17-I142 HydrophobicContact CD1-CD1 4.49Å; A131-I142 HydrophobicContact CB-CB 3.83Å; A131-I142 HydrophobicContact CB-CG2 3.61Å; A133-I142 HydrophobicContact CB-CD1 4.13Å; E138-I142 VanDerWaalsContact O-CG1 3.3Å; E138-I142 WeakPolarHBondContact O-CG1 3.34Å; E138-I142 PolarHBondContact O-N 3.46Å; I142-A144 VanDerWaalsContact C-N 3.25Å; I142-A144 PolarHBondContact O-N 2.76Å; I142-C145 PolarHBondContact O-N 2.86Å; I142-L146 HydrophobicContact CG2-CD1 4.21Å; I142-L146 HydrophobicContact CG2-CG 4.47Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.21Å
143A66.3Low67.2Low0 Ų059.1 Ų59.10%029%0.285CS..Hα-helixtrans-58.1-40.4176.100000111.7I116 M118 T129 A131 A139 M147I116-A143 HydrophobicContact CG2-CB 4.4Å; M118-A143 HydrophobicContact CB-CB 4.14Å; T129-A143 PolarHBondContact OG1-O 2.96Å; A131-A143 HydrophobicContact CB-CB 3.86Å; A139-A143 VanDerWaalsContact O-CB 3.26Å; A139-A143 WeakPolarHBondContact O-CB 2.92Å; A139-A143 PolarHBondContact O-N 3.3Å; A143-M147 WeakPolarHBondContact O-CB 3.3Å; A143-M147 PolarHBondContact O-N 3.5Å
144A71.3Confident66.8Low0 Ų060.2 Ų60.20%029%0.292CS..Hα-helixtrans-64.6-46.2175.700000112.4P83 I84 I87 M118 K140 H141 I142 L146 M147 L148P83-A144 HydrophobicContact CB-CB 3.84Å; I84-A144 HydrophobicContact CB-CB 4.31Å; I84-A144 HydrophobicContact CD1-CB 4.37Å; I87-A144 VanDerWaalsContact CD1-CA 3.41Å; I87-A144 HydrophobicContact CD1-CB 3.54Å; I87-A144 WeakPolarHBondContact CD1-O 3.33Å; M118-A144 HydrophobicContact CE-CB 3.9Å; M118-A144 HydrophobicContact SD-CB 4.5Å; K140-A144 WeakPolarHBondContact O-CB 3.33Å; K140-A144 PolarHBondContact O-N 3.23Å; H141-A144 WeakPolarHBondContact O-CB 3.21Å; H141-A144 PolarHBondContact O-N 3Å; I142-A144 VanDerWaalsContact C-N 3.25Å; I142-A144 PolarHBondContact O-N 2.76Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.44Å; A144-M147 PolarHBondContact O-N 3.48Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.42Å
145C65.4Low66.4Low33 Ų3358.5 Ų58.522%0.22329%0.294CS..Hα-helixtrans-58.9-46.4176.2-67.60000112P83 H141 I142 M147 L148 N149P83-C145 VanDerWaalsContact CG-SG 3.53Å; H141-C145 PolarHBondContact O-N 3.03Å; H141-C145 PolarHBondContact O-SG 2.97Å; I142-C145 PolarHBondContact O-N 2.86Å; C145-M147 VanDerWaalsContact C-N 3.26Å; C145-M147 PolarHBondContact O-N 3.1Å; C145-L148 PolarHBondContact O-N 3.01Å; C145-N149 WeakPolarHBondContact O-CB 3.39Å; C145-N149 PolarHBondContact O-N 3.44Å
146L66Low65.7Low76 Ų7658 Ų5840%0.39829%0.291SS..Hα-helixtrans-60.8-38.9177-69.2175.3000111.5T129 A131 I142 A144 N149 G150T129-L146 HydrophobicContact CG2-CB 3.94Å; A131-L146 HydrophobicContact CB-CD1 4.47Å; I142-L146 HydrophobicContact CG2-CD1 4.21Å; I142-L146 HydrophobicContact CG2-CG 4.47Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.21Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.44Å; L146-N149 PolarHBondContact O-N 2.94Å; L146-G150 PolarHBondContact O-N 3.29Å
147M74Confident64.6Low1 Ų153.3 Ų53.31%0.00527%0.271CS..Hα-helixtrans-67.5-47.8-179.5-175.260.878.900111.4I87 M118 I120 A127 T129 A143 A144 C145 N149 G150 L151I87-M147 HydrophobicContact CD1-CB 3.85Å; I87-M147 HydrophobicContact CD1-CG 4.04Å; M118-M147 HydrophobicContact CB-CE 4.23Å; M118-M147 HydrophobicContact CG-CE 3.85Å; M118-M147 WeakPolarHBondContact O-CE 3.32Å; M118-M147 HydrophobicContact SD-CB 3.74Å; M118-M147 HydrophobicContact SD-CE 4.35Å; M118-M147 HydrophobicContact SD-CG 3.91Å; I120-M147 HydrophobicContact CB-CE 4.24Å; I120-M147 HydrophobicContact CB-SD 4.15Å; I120-M147 HydrophobicContact CD1-CE 4.29Å; I120-M147 HydrophobicContact CD1-CG 3.26Å; I120-M147 HydrophobicContact CD1-SD 3.7Å; I120-M147 HydrophobicContact CG1-CE 3.93Å; I120-M147 HydrophobicContact CG1-CG 3.96Å; I120-M147 HydrophobicContact CG1-SD 3.91Å; A127-M147 HydrophobicContact CB-CE 4.33Å; A127-M147 HydrophobicContact CB-SD 3.65Å; T129-M147 HydrophobicContact CG2-CB 3.99Å; T129-M147 HydrophobicContact CG2-CE 3.86Å; T129-M147 HydrophobicContact CG2-SD 4.07Å; A143-M147 WeakPolarHBondContact O-CB 3.3Å; A143-M147 PolarHBondContact O-N 3.5Å; A144-M147 PolarHBondContact O-N 3.48Å; C145-M147 VanDerWaalsContact C-N 3.26Å; C145-M147 PolarHBondContact O-N 3.1Å; M147-N149 VanDerWaalsContact C-N 3.32Å; M147-N149 PolarHBondContact O-N 3.12Å; M147-G150 PolarHBondContact O-N 3.33Å; M147-G150 VanDerWaalsContact O-N 3.12Å; M147-L151 HydrophobicContact CG-CD1 4.33Å; M147-L151 WeakPolarHBondContact O-CG 3.45Å; M147-L151 PolarHBondContact O-N 2.97Å
148L69.7Low63.2Low16 Ų1646.7 Ų46.78%0.08425%0.25CC..Hα-helixtrans-58.7-45.2175.5-70.9173000111.2P83 V86 I87 L90 A144 C145 G150 L151 I152P83-L148 HydrophobicContact CB-CD1 3.98Å; V86-L148 HydrophobicContact CB-CD1 4.13Å; V86-L148 HydrophobicContact CB-CD2 4.5Å; V86-L148 HydrophobicContact CG1-CD1 4.14Å; V86-L148 HydrophobicContact CG1-CD2 3.89Å; I87-L148 HydrophobicContact CD1-CG 4.14Å; I87-L148 HydrophobicContact CG1-CD1 4.37Å; I87-L148 HydrophobicContact CG1-CD2 3.72Å; I87-L148 HydrophobicContact CG1-CG 3.82Å; L90-L148 HydrophobicContact CD1-CD2 3.52Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.42Å; C145-L148 PolarHBondContact O-N 3.01Å; L148-G150 VanDerWaalsContact C-N 3.29Å; L148-G150 PolarHBondContact O-N 3.49Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L148-I152 WeakPolarHBondContact O-CG1 3.47Å; L148-I152 PolarHBondContact O-N 3.04Å
149N63Low62.4Low59 Ų5945.1 Ų45.132%0.31625%0.245SC..Hα-helixtrans-59.7-40.1175.6-74.9-12.1000112.1C145 L146 M147 I152 N153C145-N149 WeakPolarHBondContact O-CB 3.39Å; C145-N149 PolarHBondContact O-N 3.44Å; L146-N149 PolarHBondContact O-N 2.94Å; M147-N149 VanDerWaalsContact C-N 3.32Å; M147-N149 PolarHBondContact O-N 3.12Å; N149-I152 PolarHBondContact O-N 2.93Å; N149-N153 WeakPolarHBondContact O-CB 3.46Å; N149-N153 PolarHBondContact O-N 3.38Å; N149-N153 PolarHBondContact O-ND2 3.17Å
150G60.6Low61.5Low35 Ų3549.9 Ų49.936%0.36127%0.266SS..Hα-helixtrans-63.1-41.8174.500000113L146 M147 L148 N153 S154L146-G150 PolarHBondContact O-N 3.29Å; M147-G150 PolarHBondContact O-N 3.33Å; M147-G150 VanDerWaalsContact O-N 3.12Å; L148-G150 VanDerWaalsContact C-N 3.29Å; L148-G150 PolarHBondContact O-N 3.49Å; G150-N153 PolarHBondContact O-N 2.82Å; G150-S154 WeakPolarHBondContact O-CB 3.35Å; G150-S154 PolarHBondContact O-N 3.44Å; G150-S154 VanDerWaalsContact O-N 3.08Å; G150-S154 PolarHBondContact O-OG 2.93Å
151L65.8Low59.9Low3 Ų348.7 Ų48.72%0.01627%0.274CS..Hα-helixtrans-68.6-34.8178.3-67.3172.1000112.6L90 I120 V125 M147 L148 S154 L156 I157L90-L151 HydrophobicContact CD1-CD1 4.39Å; I120-L151 HydrophobicContact CD1-CD1 3.8Å; V125-L151 HydrophobicContact CG1-CD2 4.08Å; M147-L151 HydrophobicContact CG-CD1 4.33Å; M147-L151 WeakPolarHBondContact O-CG 3.45Å; M147-L151 PolarHBondContact O-N 2.97Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L151-S154 WeakPolarHBondContact CA-OG 3.29Å; L151-S154 PolarHBondContact O-OG 3.36Å; L151-L156 HydrophobicContact CD2-CD1 3.99Å; L151-L156 PolarHBondContact O-N 2.9Å; L151-I157 HydrophobicContact CB-CD1 3.65Å; L151-I157 HydrophobicContact CB-CG1 4.06Å; L151-I157 HydrophobicContact CD1-CD1 3.7Å; L151-I157 HydrophobicContact CG-CD1 4.21Å; L151-I157 PolarHBondContact O-N 3.13Å
152I60.8Low58.4Low60 Ų6047 Ų4731%0.30827%0.27SS..Hα-helixtrans-69.2-49.2175-65166.2000110.1L148 N149 S154 N155 V159L148-I152 WeakPolarHBondContact O-CG1 3.47Å; L148-I152 PolarHBondContact O-N 3.04Å; N149-I152 PolarHBondContact O-N 2.93Å; I152-S154 PolarHBondContact O-N 3.26Å; I152-N155 PolarHBondContact O-N 3.02Å; I152-V159 HydrophobicContact CD1-CG2 3.77Å; I152-V159 HydrophobicContact CG1-CG2 3.66Å; I152-V159 HydrophobicContact CG2-CG2 4.44Å
153N58.9Low57.3Low133 Ų13350.2 Ų50.271%0.71128%0.282SS*.Hα-helixtrans-65.8-23.6-178.1-71.3-21.1000113.7N149 G150 N155N149-N153 WeakPolarHBondContact O-CB 3.46Å; N149-N153 PolarHBondContact O-N 3.38Å; N149-N153 PolarHBondContact O-ND2 3.17Å; G150-N153 PolarHBondContact O-N 2.82Å; N153-N155 VanDerWaalsContact C-N 3.25Å
154S58.7Low56Low33 Ų3353.7 Ų53.723%0.23130%0.299CS..THydrogen-bonded Turntrans-84.74.2175.148.60000113.3G150 L151 I152 L156G150-S154 WeakPolarHBondContact O-CB 3.35Å; G150-S154 PolarHBondContact O-N 3.44Å; G150-S154 VanDerWaalsContact O-N 3.08Å; G150-S154 PolarHBondContact O-OG 2.93Å; L151-S154 WeakPolarHBondContact CA-OG 3.29Å; L151-S154 PolarHBondContact O-OG 3.36Å; I152-S154 PolarHBondContact O-N 3.26Å; S154-L156 PolarHBondContact O-N 3.22Å; S154-L156 WeakPolarHBondContact OG-CD1 3.39Å
155N57Low54.7Low117 Ų11761.1 Ų61.163%0.62633%0.331SS*.THydrogen-bonded Turntrans56.214.5-174.2-62.5-29.8000114.3I152 N153 I157I152-N155 PolarHBondContact O-N 3.02Å; N153-N155 VanDerWaalsContact C-N 3.25Å; N155-I157 PolarHBondContact O-N 2.83Å
156L55.2Low53.6Low46 Ų4663 Ų6324%0.24134%0.338CS..SBendtrans-71.6-28.2175.8-69.6174000111.3V125 L151 S154 S178V125-L156 HydrophobicContact CB-CD1 4.09Å; V125-L156 HydrophobicContact CG1-CD1 3.43Å; V125-L156 VanDerWaalsContact CG1-CD1 3.43Å; V125-L156 HydrophobicContact CG2-CD1 3.52Å; V125-L156 HydrophobicContact CG2-CD2 3.69Å; V125-L156 HydrophobicContact CG2-CG 4.21Å; L151-L156 HydrophobicContact CD2-CD1 3.99Å; L151-L156 PolarHBondContact O-N 2.9Å; S154-L156 PolarHBondContact O-N 3.22Å; S154-L156 WeakPolarHBondContact OG-CD1 3.39Å; L156-S178 WeakPolarHBondContact O-CB 3.33Å; L156-S178 PolarHBondContact O-OG 3.31Å
157I52.8Low52.9Low4 Ų467.9 Ų67.92%0.02136%0.359CS..SBendtrans-130.8116.2177.6-57-178.6000107.6L90 L94 L151 N155 V159 Y176 A177L90-I157 HydrophobicContact CD1-CD1 3.45Å; L90-I157 VanDerWaalsContact CD1-CD1 3.45Å; L90-I157 HydrophobicContact CD2-CD1 3.78Å; L90-I157 HydrophobicContact CG-CD1 4.2Å; L94-I157 HydrophobicContact CD1-CD1 3.99Å; L94-I157 HydrophobicContact CD1-CG1 4.18Å; L151-I157 HydrophobicContact CB-CD1 3.65Å; L151-I157 HydrophobicContact CB-CG1 4.06Å; L151-I157 HydrophobicContact CD1-CD1 3.7Å; L151-I157 HydrophobicContact CG-CD1 4.21Å; L151-I157 PolarHBondContact O-N 3.13Å; N155-I157 PolarHBondContact O-N 2.83Å; I157-V159 HydrophobicContact CG2-CG2 4.29Å; I157-Y176 HydrophobicContact CG2-CD1 3.36Å; I157-Y176 HydrophobicContact CG2-CE1 4.15Å; I157-Y176 HydrophobicContact CG2-CG 4.19Å; I157-A177 CarbonylContact C-O 3.45Å; I157-A177 WeakPolarHBondContact CA-O 3.41Å
158Q47.4Very low51.5Low77 Ų7777 Ų7736%0.3640%0.402SS..EExtended strand (participates in β ladder)trans-89.4137.6169.1-64.4-1809.100108.7F160 Y176 A177Q158-F160 HydrophobicContact CB-CE2 3.91Å; Q158-F160 HydrophobicContact CB-CZ 3.99Å; Q158-F160 VanDerWaalsContact OE1-CZ 3.24Å; Q158-Y176 CarbonylContact O-C 3.57Å; Q158-Y176 VanDerWaalsContact O-CA 3.27Å; Q158-Y176 WeakPolarHBondContact O-CA 3.26Å; Q158-A177 PolarHBondContact N-O 3.38Å; Q158-A177 PolarHBondContact O-N 3.26Å
159V47.4Very low49.7Very low45 Ų4581.5 Ų81.527%0.27343%0.426SS..EExtended strand (participates in β ladder)trans-120.1110.6-176-169.10000108I152 I157 L174 L175 Y176I152-V159 HydrophobicContact CD1-CG2 3.77Å; I152-V159 HydrophobicContact CG1-CG2 3.66Å; I152-V159 HydrophobicContact CG2-CG2 4.44Å; I157-V159 HydrophobicContact CG2-CG2 4.29Å; V159-L174 HydrophobicContact CG1-CB 3.5Å; V159-L174 VanDerWaalsContact CG1-CB 3.5Å; V159-L174 HydrophobicContact CG1-CD1 3.14Å; V159-L174 HydrophobicContact CG1-CD2 3.9Å; V159-L174 HydrophobicContact CG1-CG 3.62Å; V159-L175 CarbonylContact C-O 3.42Å; V159-L175 WeakPolarHBondContact CA-O 3.3Å; V159-Y176 HydrophobicContact CB-CD1 4.48Å; V159-Y176 HydrophobicContact CB-CE1 4.38Å; V159-Y176 HydrophobicContact CG1-CD1 4.33Å; V159-Y176 HydrophobicContact CG1-CE1 3.95Å; V159-Y176 HydrophobicContact CG2-CD1 3.77Å; V159-Y176 HydrophobicContact CG2-CE1 3.62Å
160F42.9Very low48.7Very low99 Ų9981.9 Ų81.943%0.43443%0.433SS..EExtended strand (participates in β ladder)trans-103.8120.7-178.9-56-83.3000110.7Q158 L174 L175 A177Q158-F160 HydrophobicContact CB-CE2 3.91Å; Q158-F160 HydrophobicContact CB-CZ 3.99Å; Q158-F160 VanDerWaalsContact OE1-CZ 3.24Å; F160-L174 CarbonylContact O-C 3.59Å; F160-L174 WeakPolarHBondContact O-CA 3.31Å; F160-L175 HydrophobicContact CB-CB 4.13Å; F160-L175 HydrophobicContact CD2-CB 4.29Å; F160-L175 PolarHBondContact N-O 3.13Å; F160-L175 PolarHBondContact O-N 3.04Å; F160-A177 HydrophobicContact CD2-CB 4.49Å; F160-A177 HydrophobicContact CE2-CB 3.64Å
161G40.5Very low47.4Very low48 Ų4886.2 Ų86.250%0.49544%0.439SS..EExtended strand (participates in β ladder)trans-83.7115.217100000112.5K173G161-K173 CarbonylContact C-O 3.59Å; G161-K173 VanDerWaalsContact CA-O 3.27Å; G161-K173 WeakPolarHBondContact CA-O 3.45Å
162T39.4Very low45.9Very low50 Ų5086.6 Ų86.631%0.30744%0.441SS..EExtended strand (participates in β ladder)trans-94.5114.2163.861.90000108.7E164 T172 K173 L175T162-E164 PolarHBondContact O-N 3.15Å; T162-T172 CarbonylContact O-C 3.55Å; T162-T172 VanDerWaalsContact O-CA 3.26Å; T162-T172 WeakPolarHBondContact O-CA 3.42Å; T162-K173 PolarHBondContact N-O 2.86Å; T162-K173 PolarHBondContact O-N 3.13Å; T162-K173 WeakPolarHBondContact OG1-CB 3.36Å; T162-L175 HydrophobicContact CG2-CD1 3.63Å; T162-L175 HydrophobicContact CG2-CG 4.28Å
163K41.1Very low44.7Very low120 Ų12085.6 Ų85.652%0.52243%0.434SS..EExtended strand (participates in β ladder)trans-80.8106.9167.6-75.7-173.3177.8-172.80108.3F165 R171 T172K163-F165 HydrophobicContact CB-CE2 4.33Å; K163-R171 CarbonylContact C-O 3.58Å; K163-R171 WeakPolarHBondContact CA-O 3.29Å; K163-T172 HydrophobicContact CG-CG2 4.25Å
164E39Very low43.7Very low73 Ų7380.9 Ų80.934%0.34141%0.409SS..EExtended strand (participates in β ladder)trans-88.1123.4164.4-76.4-177.9-171.900109T162 S170 R171 K173T162-E164 PolarHBondContact O-N 3.15Å; E164-S170 CarbonylContact O-C 3.59Å; E164-R171 PolarHBondContact N-O 2.84Å; E164-R171 PolarHBondContact O-N 3.16Å; E164-K173 VanDerWaalsContact OE1-CE 3.31Å; E164-K173 WeakPolarHBondContact OE1-CE 3.47Å; E164-K173 IonicContact OE1-NZ 2.74Å; E164-K173 PolarHBondContact OE1-NZ 2.82Å; E164-K173 WeakPolarHBondContact OE2-CE 3.38Å; E164-K173 IonicContact OE2-NZ 3.15Å; E164-K173 PolarHBondContact OE2-NZ 3.15Å
165F42.2Very low42.9Very low155 Ų15581.1 Ų81.168%0.6841%0.407SS*.EExtended strand (participates in β ladder)trans-88.2112.5169.3-67.2-87.4000107.7K163K163-F165 HydrophobicContact CB-CE2 4.33Å
166I43.3Very low42.2Very low73 Ų7377.4 Ų77.437%0.37439%0.385SS..EExtended strand (participates in β ladder)trans-110.3105.4169.9-56.5179.3000105.2Q168 N169I166-Q168 PolarHBondContact O-N 2.9Å; I166-N169 PolarHBondContact N-O 3.29Å; I166-N169 PolarHBondContact O-N 3.25Å; I166-N169 VanDerWaalsContact O-O 3.07Å
167E50.2Low41.5Very low179 Ų17977 Ų7784%0.83639%0.388SS*.THydrogen-bonded Turntrans57-126.7-172-53.7174.6166.500112.2N169E167-N169 VanDerWaalsContact C-N 3.3Å
168Q44.8Very low41Very low192 Ų19277.1 Ų77.190%0.89739%0.389SS*.THydrogen-bonded Turntrans-82.3-4.4176-65.2-178.4-6.200113.2I166I166-Q168 PolarHBondContact O-N 2.9Å
169N32.4Very low40.6Very low111 Ų11177.8 Ų77.859%0.59440%0.395SS*.EExtended strand (participates in β ladder)trans-104.1124.4-176.3-72.5-40.9000111I166 E167I166-N169 PolarHBondContact N-O 3.29Å; I166-N169 PolarHBondContact O-N 3.25Å; I166-N169 VanDerWaalsContact O-O 3.07Å; E167-N169 VanDerWaalsContact C-N 3.3Å
170S41.9Very low40Very low67 Ų6777.1 Ų77.147%0.46939%0.391SS..EExtended strand (participates in β ladder)trans-86.1122167.264.50000110E164E164-S170 CarbonylContact O-C 3.59Å
171R34.4Very low39.6Very low126 Ų12676.4 Ų76.448%0.47539%0.388SS..EExtended strand (participates in β ladder)trans-101.9122.1165.8-66.6-171.8-179.3179.22.4108.8K163 E164K163-R171 CarbonylContact C-O 3.58Å; K163-R171 WeakPolarHBondContact CA-O 3.29Å; E164-R171 PolarHBondContact N-O 2.84Å; E164-R171 PolarHBondContact O-N 3.16Å
172T34.3Very low39.2Very low11 Ų1179 Ų797%0.06739%0.39CS..EExtended strand (participates in β ladder)trans-84.5120.7165.6-43.50000108V71 T72 T162 K163 L174V71-T172 CarbonylContact C-O 3.5Å; V71-T172 CarbonylContact O-C 3.52Å; T72-T172 WeakPolarHBondContact CA-O 3.48Å; T72-T172 WeakPolarHBondContact CG2-O 3.21Å; T72-T172 PolarHBondContact N-O 3.06Å; T162-T172 CarbonylContact O-C 3.55Å; T162-T172 VanDerWaalsContact O-CA 3.26Å; T162-T172 WeakPolarHBondContact O-CA 3.42Å; K163-T172 HydrophobicContact CG-CG2 4.25Å; T172-L174 HydrophobicContact CG2-CD2 4.23Å
173K35.3Very low38.8Very low38 Ų3887.3 Ų87.317%0.16542%0.416CS..EExtended strand (participates in β ladder)trans-92.5141.1161.5-49.3-176.4164.9163.30106.6V68 E70 G161 T162 E164V68-K173 HydrophobicContact CG1-CD 4.13Å; E70-K173 HydrophobicContact CG-CB 4.42Å; E70-K173 HydrophobicContact CG-CD 4.27Å; E70-K173 HydrophobicContact CG-CG 4.04Å; E70-K173 WeakPolarHBondContact OE1-CE 3.3Å; G161-K173 CarbonylContact C-O 3.59Å; G161-K173 VanDerWaalsContact CA-O 3.27Å; G161-K173 WeakPolarHBondContact CA-O 3.45Å; T162-K173 PolarHBondContact N-O 2.86Å; T162-K173 PolarHBondContact O-N 3.13Å; T162-K173 WeakPolarHBondContact OG1-CB 3.36Å; E164-K173 VanDerWaalsContact OE1-CE 3.31Å; E164-K173 WeakPolarHBondContact OE1-CE 3.47Å; E164-K173 IonicContact OE1-NZ 2.74Å; E164-K173 PolarHBondContact OE1-NZ 2.82Å; E164-K173 WeakPolarHBondContact OE2-CE 3.38Å; E164-K173 IonicContact OE2-NZ 3.15Å; E164-K173 PolarHBondContact OE2-NZ 3.15Å
174L37.9Very low38.5Very low35 Ų3586.6 Ų86.618%0.18341%0.41CS..EExtended strand (participates in β ladder)trans-97.2145.3163.4-56.7171.6000109.3L69 V71 V159 F160 T172L69-L174 CarbonylContact C-O 3.52Å; L69-L174 CarbonylContact O-C 3.22Å; L69-L174 PolarHBondContact O-N 3.26Å; V71-L174 HydrophobicContact CB-CB 3.52Å; V71-L174 HydrophobicContact CB-CD1 3.38Å; V71-L174 HydrophobicContact CB-CG 3.38Å; V71-L174 HydrophobicContact CG1-CB 4.21Å; V71-L174 HydrophobicContact CG1-CD1 3.02Å; V71-L174 HydrophobicContact CG1-CG 3.64Å; V71-L174 HydrophobicContact CG2-CB 3.88Å; V71-L174 HydrophobicContact CG2-CD1 4.18Å; V71-L174 HydrophobicContact CG2-CG 4.25Å; V71-L174 WeakPolarHBondContact O-CG 3.41Å; V71-L174 PolarHBondContact O-N 3.4Å; V159-L174 HydrophobicContact CG1-CB 3.5Å; V159-L174 VanDerWaalsContact CG1-CB 3.5Å; V159-L174 HydrophobicContact CG1-CD1 3.14Å; V159-L174 HydrophobicContact CG1-CD2 3.9Å; V159-L174 HydrophobicContact CG1-CG 3.62Å; F160-L174 CarbonylContact O-C 3.59Å; F160-L174 WeakPolarHBondContact O-CA 3.31Å; T172-L174 HydrophobicContact CG2-CD2 4.23Å
175L41.1Very low38.1Very low37 Ų3787.7 Ų87.719%0.19441%0.414CS..EExtended strand (participates in β ladder)trans-112.4133.2171.6-55.8169.2000106.2V68 V159 F160 T162V68-L175 HydrophobicContact CB-CD2 4.3Å; V68-L175 HydrophobicContact CG1-CD2 4.04Å; V68-L175 HydrophobicContact CG2-CD2 3.99Å; V159-L175 CarbonylContact C-O 3.42Å; V159-L175 WeakPolarHBondContact CA-O 3.3Å; F160-L175 HydrophobicContact CB-CB 4.13Å; F160-L175 HydrophobicContact CD2-CB 4.29Å; F160-L175 PolarHBondContact N-O 3.13Å; F160-L175 PolarHBondContact O-N 3.04Å; T162-L175 HydrophobicContact CG2-CD1 3.63Å; T162-L175 HydrophobicContact CG2-CG 4.28Å
176Y43.1Very low37.7Very low40 Ų4085.6 Ų85.616%0.15742%0.416CS..EExtended strand (participates in β ladder)trans-97.7125.7173.9-63.9-78.3000108.9L69 V71 V86 I157 Q158 V159L69-Y176 HydrophobicContact CB-CD2 3.63Å; L69-Y176 HydrophobicContact CB-CE2 3.36Å; L69-Y176 HydrophobicContact CD1-CD2 3.49Å; L69-Y176 VanDerWaalsContact CD1-CD2 3.49Å; L69-Y176 HydrophobicContact CD1-CE2 3.47Å; L69-Y176 VanDerWaalsContact CD1-CE2 3.47Å; L69-Y176 HydrophobicContact CG-CD2 4.18Å; L69-Y176 HydrophobicContact CG-CE2 3.98Å; V71-Y176 HydrophobicContact CG2-CE2 4Å; V71-Y176 WeakPolarHBondContact CG2-OH 3.47Å; V86-Y176 HydrophobicContact CG1-CE2 4.29Å; I157-Y176 HydrophobicContact CG2-CD1 3.36Å; I157-Y176 HydrophobicContact CG2-CE1 4.15Å; I157-Y176 HydrophobicContact CG2-CG 4.19Å; Q158-Y176 CarbonylContact O-C 3.57Å; Q158-Y176 VanDerWaalsContact O-CA 3.27Å; Q158-Y176 WeakPolarHBondContact O-CA 3.26Å; V159-Y176 HydrophobicContact CB-CD1 4.48Å; V159-Y176 HydrophobicContact CB-CE1 4.38Å; V159-Y176 HydrophobicContact CG1-CD1 4.33Å; V159-Y176 HydrophobicContact CG1-CE1 3.95Å; V159-Y176 HydrophobicContact CG2-CD1 3.77Å; V159-Y176 HydrophobicContact CG2-CE1 3.62Å
177A40.4Very low37.2Very low37 Ų3788.3 Ų88.331%0.30643%0.431SS..EExtended strand (participates in β ladder)trans-117.7150.4163.100000109.7I157 Q158 F160I157-A177 CarbonylContact C-O 3.45Å; I157-A177 WeakPolarHBondContact CA-O 3.41Å; Q158-A177 PolarHBondContact N-O 3.38Å; Q158-A177 PolarHBondContact O-N 3.26Å; F160-A177 HydrophobicContact CD2-CB 4.49Å; F160-A177 HydrophobicContact CE2-CB 3.64Å
178S40.9Very low36.4Very low7 Ų781.2 Ų81.25%0.04940%0.401CS..  trans-135.4138.1171.1-178.10000107.8L94 L156 V180 F181L94-S178 VanDerWaalsContact CD2-CB 3.49Å; L156-S178 WeakPolarHBondContact O-CB 3.33Å; L156-S178 PolarHBondContact O-OG 3.31Å; S178-V180 PolarHBondContact O-N 2.95Å; S178-V180 WeakPolarHBondContact OG-CB 3.41Å; S178-V180 WeakPolarHBondContact OG-CG2 3.43Å; S178-V180 PolarHBondContact OG-N 2.97Å; S178-F181 VanDerWaalsContact CB-CD2 3.5Å; S178-F181 WeakPolarHBondContact O-CB 3.41Å; S178-F181 WeakPolarHBondContact O-CD2 3.35Å; S178-F181 PolarHBondContact O-N 2.93Å
179D39.5Very low35.7Very low90 Ų9074.1 Ų74.148%0.48138%0.375SS..Hα-helixtrans-60.4-17.5173.2-69.9-16.6000112.2F181 L182D179-F181 PolarHBondContact O-N 2.98Å; D179-L182 PolarHBondContact O-N 2.73Å
180V34.8Very low35.7Very low32 Ų3272.7 Ų72.719%0.19437%0.367CS..Hα-helixtrans-63.7-30171.7-175.80000111.5L94 N123 S178 R184L94-V180 HydrophobicContact CD2-CB 4.31Å; N123-V180 HydrophobicContact CB-CG1 4.15Å; N123-V180 VanDerWaalsContact ND2-CG1 3.3Å; N123-V180 WeakPolarHBondContact ND2-CG1 3.44Å; S178-V180 PolarHBondContact O-N 2.95Å; S178-V180 WeakPolarHBondContact OG-CB 3.41Å; S178-V180 WeakPolarHBondContact OG-CG2 3.43Å; S178-V180 PolarHBondContact OG-N 2.97Å; V180-R184 WeakPolarHBondContact O-CD 3.33Å; V180-R184 WeakPolarHBondContact O-CG 3.31Å
181F34.6Very low35.5Very low83 Ų8374.1 Ų74.136%0.36437%0.369SS..Hα-helixtrans-75.2-36.5174.6-65-73.8000112.8H93 L94 S178 D179 R183 R184H93-F181 HydrophobicContact CB-CE1 4.06Å; H93-F181 HydrophobicContact CB-CZ 3.66Å; H93-F181 WeakPolarHBondContact O-CE1 3.25Å; H93-F181 WeakPolarHBondContact O-CZ 3.33Å; L94-F181 HydrophobicContact CD2-CD2 4.18Å; L94-F181 HydrophobicContact CD2-CE2 3.35Å; L94-F181 HydrophobicContact CD2-CZ 3.55Å; L94-F181 HydrophobicContact CG-CE2 4.28Å; L94-F181 HydrophobicContact CG-CZ 4.15Å; S178-F181 VanDerWaalsContact CB-CD2 3.5Å; S178-F181 WeakPolarHBondContact O-CB 3.41Å; S178-F181 WeakPolarHBondContact O-CD2 3.35Å; S178-F181 PolarHBondContact O-N 2.93Å; D179-F181 PolarHBondContact O-N 2.98Å; F181-R183 PolarHBondContact O-N 2.96Å; F181-R184 PolarHBondContact O-N 3.08Å
182L31.6Very low35.5Very low104 Ų10473.4 Ų73.455%0.54537%0.374SS..Hα-helixtrans-60.8-27.3178.6-84.8157000112.5D179D179-L182 PolarHBondContact O-N 2.73Å
183R31.3Very low35.7Very low223 Ų22378.2 Ų78.284%0.84240%0.396SS*.THydrogen-bonded Turntrans-91.7-6.8-179.2-63.9-170.7-178.9-166.20.1114.9F181F181-R183 PolarHBondContact O-N 2.96Å
184R35.1Very low36Very low106 Ų10682.4 Ų82.440%0.441%0.414SS..SBendtrans-94.5-5.3-168.8-83.8177.2162.1-154.8-16.8115.6C95 N123 V180 F181C95-R184 VanDerWaalsContact CB-NH2 3.34Å; C95-R184 PolarHBondContact SG-NH1 2.97Å; N123-R184 PolarHBondContact ND2-NH2 3.23Å; N123-R184 PolarHBondContact OD1-NH2 3.01Å; V180-R184 WeakPolarHBondContact O-CD 3.33Å; V180-R184 WeakPolarHBondContact O-CG 3.31Å; F181-R184 PolarHBondContact O-N 3.08Å
185K31.9Very low35.9Very low95 Ų9585.3 Ų85.341%0.41343%0.429SS..  trans-140.5111.1166.6-81-174.4172.4179.50109.8E64 N187 S188E64-K185 IonicContact OE1-NZ 3.98Å; E64-K185 PolarHBondContact OE1-NZ 3.43Å; K185-N187 PolarHBondContact O-N 2.8Å; K185-S188 WeakPolarHBondContact CB-OG 3.36Å; K185-S188 PolarHBondContact O-N 2.83Å; K185-S188 PolarHBondContact O-OG 2.76Å
186P33.8Very low35.9Very low111 Ų11188.5 Ų88.572%0.72145%0.446SS*.THydrogen-bonded Turntrans-62.6-10.2174.823.7-30.7000113.2
187N32Very low36.1Very low131 Ų13192.9 Ų92.970%0.70147%0.466SS*.THydrogen-bonded Turntrans-102.1-8.4-177.3-65.5-10.4000115.1K185K185-N187 PolarHBondContact O-N 2.8Å
188S33.3Very low36.3Very low30 Ų3098.6 Ų98.621%0.2148%0.484CS..THydrogen-bonded Turntrans-99.6-20.3-178.4630000114.1K185 I190 D191 L192K185-S188 WeakPolarHBondContact CB-OG 3.36Å; K185-S188 PolarHBondContact O-N 2.83Å; K185-S188 PolarHBondContact O-OG 2.76Å; S188-I190 VanDerWaalsContact C-N 3.34Å; S188-D191 PolarHBondContact O-N 2.88Å; S188-L192 PolarHBondContact O-N 3.12Å
189A30.7Very low36.1Very low42 Ų42104.2 Ų104.235%0.34750%0.504SS..Hα-helixtrans-70.7-31.9173.600000112.2D191 L192 E193A189-D191 VanDerWaalsContact C-N 3.27Å; A189-D191 PolarHBondContact O-N 2.82Å; A189-L192 PolarHBondContact O-N 2.9Å; A189-E193 PolarHBondContact O-N 2.92Å; A189-E193 VanDerWaalsContact O-N 3.15Å
190I32.3Very low36.1Very low82 Ų82107.7 Ų107.742%0.42152%0.517SS..Hα-helixtrans-66-31.9176.1-63.1171.9000110.9S188 K194S188-I190 VanDerWaalsContact C-N 3.34Å; I190-K194 HydrophobicContact CG2-CD 3.89Å; I190-K194 HydrophobicContact CG2-CG 4.39Å; I190-K194 VanDerWaalsContact O-CB 3.22Å; I190-K194 WeakPolarHBondContact O-CB 3.5Å; I190-K194 WeakPolarHBondContact O-CG 3.39Å; I190-K194 PolarHBondContact O-N 3.15Å
191D37.9Very low36.4Very low97 Ų97111.5 Ų111.552%0.51954%0.541SS..Hα-helixtrans-77.1-34.7178.1-101-13.9000112.8S188 A189 L195S188-D191 PolarHBondContact O-N 2.88Å; A189-D191 VanDerWaalsContact C-N 3.27Å; A189-D191 PolarHBondContact O-N 2.82Å; D191-L195 WeakPolarHBondContact O-CB 3.4Å; D191-L195 WeakPolarHBondContact O-CD1 3.49Å; D191-L195 WeakPolarHBondContact O-CG 3.42Å; D191-L195 PolarHBondContact O-N 3.49Å
192L34.2Very low36.4Very low111 Ų111116 Ų11658%0.58156%0.56SS**Hα-helixtrans-66.6-41.8173.1-118.7103000111.7S188 A189 L195 L196S188-L192 PolarHBondContact O-N 3.12Å; A189-L192 PolarHBondContact O-N 2.9Å; L192-L195 PolarHBondContact O-N 3Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 WeakPolarHBondContact O-CD1 3.34Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 3.04Å
193E38.3Very low36.3Very low112 Ų112119.6 Ų119.652%0.52357%0.574SS.*Hα-helixtrans-71.8-34.4179.1-145.2-174.2169.400112.1A189 K197A189-E193 PolarHBondContact O-N 2.92Å; A189-E193 VanDerWaalsContact O-N 3.15Å; E193-K197 WeakPolarHBondContact O-CB 3.49Å; E193-K197 WeakPolarHBondContact O-CG 3.24Å; E193-K197 PolarHBondContact O-N 2.83Å; E193-K197 IonicContact OE1-NZ 2.7Å
194K41.9Very low36.5Very low125 Ų125114.8 Ų114.854%0.54357%0.572SS.*Hα-helixtrans-71.6-34.5170.4-77.4177.2-178.81750112.9I190 K197 K198I190-K194 HydrophobicContact CG2-CD 3.89Å; I190-K194 HydrophobicContact CG2-CG 4.39Å; I190-K194 VanDerWaalsContact O-CB 3.22Å; I190-K194 WeakPolarHBondContact O-CB 3.5Å; I190-K194 WeakPolarHBondContact O-CG 3.39Å; I190-K194 PolarHBondContact O-N 3.15Å; K194-K197 PolarHBondContact O-N 3.5Å; K194-K198 VanDerWaalsContact O-CB 3.3Å; K194-K198 WeakPolarHBondContact O-CB 3.29Å; K194-K198 PolarHBondContact O-N 3.1Å
195L35.9Very low36.2Very low97 Ų97116.2 Ų116.251%0.50859%0.593SS.*Hα-helixtrans-66.7-38.3172.8-90.2156.9000111.6D191 L192 R199D191-L195 WeakPolarHBondContact O-CB 3.4Å; D191-L195 WeakPolarHBondContact O-CD1 3.49Å; D191-L195 WeakPolarHBondContact O-CG 3.42Å; D191-L195 PolarHBondContact O-N 3.49Å; L192-L195 PolarHBondContact O-N 3Å; L195-R199 PolarHBondContact O-N 3.02Å
196L39.5Very low36.1Very low103 Ų103115.8 Ų115.854%0.53961%0.606SS.*Hα-helixtrans-68-42.4174.3-72.8164000111.7L192 R199 Q200L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 WeakPolarHBondContact O-CD1 3.34Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 3.04Å; L196-R199 PolarHBondContact O-N 2.93Å; L196-Q200 WeakPolarHBondContact O-CG 3.26Å; L196-Q200 PolarHBondContact O-N 2.81Å
197K47.5Very low35.8Very low132 Ų132118.2 Ų118.257%0.57461%0.612SS**Hα-helixtrans-72.1-32.8176.7-74.3176.4179.8169.40114.1E193 K194 R199 T201E193-K197 WeakPolarHBondContact O-CB 3.49Å; E193-K197 WeakPolarHBondContact O-CG 3.24Å; E193-K197 PolarHBondContact O-N 2.83Å; E193-K197 IonicContact OE1-NZ 2.7Å; K194-K197 PolarHBondContact O-N 3.5Å; K197-R199 VanDerWaalsContact C-N 3.34Å; K197-T201 PolarHBondContact O-OG1 3.01Å
198K44.7Very low35.7Very low157 Ų157119.6 Ų119.668%0.68362%0.62SS**Hα-helixtrans-72.7-22.5174.1-88.8-175.8173.5178.90113.8K194 T201K194-K198 VanDerWaalsContact O-CB 3.3Å; K194-K198 WeakPolarHBondContact O-CB 3.29Å; K194-K198 PolarHBondContact O-N 3.1Å; K198-T201 PolarHBondContact O-OG1 3.1Å
199R37.9Very low35.5Very low126 Ų126122.8 Ų122.848%0.47564%0.64SS.*Hα-helixtrans-86-30.5175.6-87.8-171.6168.1164.7-3113.4F56 L195 L196 K197 T201 K202F56-R199 VanDerWaalsContact CZ-NH1 3.32Å; L195-R199 PolarHBondContact O-N 3.02Å; L196-R199 PolarHBondContact O-N 2.93Å; K197-R199 VanDerWaalsContact C-N 3.34Å; R199-T201 PolarHBondContact O-N 3.19Å; R199-K202 PolarHBondContact O-N 2.89Å
200Q39.4Very low35.4Very low162 Ų162132.5 Ų132.576%0.75767%0.668SS**THydrogen-bonded Turntrans-70.4-11.9173.8-72.8179.6-4.900113.7L196L196-Q200 WeakPolarHBondContact O-CG 3.26Å; L196-Q200 PolarHBondContact O-N 2.81Å
201T39.8Very low35.3Very low113 Ų113135.8 Ų135.869%0.69369%0.685SS**THydrogen-bonded Turntrans-104.14.1-179.133.20000114.1K197 K198 R199K197-T201 PolarHBondContact O-OG1 3.01Å; K198-T201 PolarHBondContact O-OG1 3.1Å; R199-T201 PolarHBondContact O-N 3.19Å
202K36Very low35Very low177 Ų177135.5 Ų135.577%0.7769%0.688SS**  trans-126.971.8174.6-74.3-173.2174.1-172.50110R199 P204R199-K202 PolarHBondContact O-N 2.89Å; K202-P204 WeakPolarHBondContact O-CD 3.46Å
203E29.2Very low34.6Very low180 Ų180141.4 Ų141.484%0.84170%0.703SS**  trans-82.7116155.5-79.7-151150.700108.6
204P35.7Very low34.3Very low121 Ų121146.8 Ų146.879%0.78672%0.718SS**  trans-86.1110.5156.325.1-11.1000108.1K202K202-P204 WeakPolarHBondContact O-CD 3.46Å
205T28.7Very low33.8Very low137 Ų137146.7 Ų146.784%0.8472%0.72SS**  trans-35.5142158.3-370000112.3
206A30.3Very low33.3Very low85 Ų85152.9 Ų152.970%0.70274%0.738SS**  trans110.38716200000117.8
207L27.5Very low32.7Very low162 Ų162152.7 Ų152.785%0.84875%0.746SS**  37.5112.4121.4-72.5151.3000118.6
208N28.5Very low31.8Very low160 Ų160152.9 Ų152.986%0.85675%0.748SS**  trans-139116.6135.2-138.6-27.7000110.2
209P29.1Very low31.1Very low98 Ų98150.1 Ų150.164%0.63675%0.747SS**  trans-93.8113.6-164.734.1-29.4000111.5
210R29.4Very low30.9Very low245 Ų245150.6 Ų150.693%0.92576%0.764SS**  trans-166.432.2160.8-113.1169-167.5-176.74.5115.4
211I30.2Very low30.4Very low152 Ų152147.1 Ų147.178%0.77976%0.762SS**  trans-94.7125.1179.4-56.5175.6000110.8R213I211-R213 PolarHBondContact O-N 2.83Å
212P31Very low30Very low91 Ų91149.2 Ų149.259%0.59177%0.77SS**  trans-70.698.6174-14.429.2000112.9W214P212-W214 HydrophobicContact CB-CZ2 4.39Å; P212-W214 PolarHBondContact O-N 3.11Å
213R27Very low29.8Very low235 Ų235149.9 Ų149.989%0.88778%0.775SS**SBendtrans19.328139.8-83.3-171.3173-172-1.4124.3I211I211-R213 PolarHBondContact O-N 2.83Å
214W30.3Very low29.7Very low224 Ų224150.2 Ų150.285%0.84878%0.777SS**  trans-118.911.5179.4-29.1-29.1000116P212P212-W214 HydrophobicContact CB-CZ2 4.39Å; P212-W214 PolarHBondContact O-N 3.11Å
215Q31.8Very low29.4Very low124 Ų124149.8 Ų149.858%0.57977%0.772SS**  trans-120.517-175-91.4179-21.900115.7H53H53-Q215 PolarHBondContact CD2-NE2 2.82Å; H53-Q215 PolarHBondContact CE1-NE2 2.82Å; H53-Q215 PolarHBondContact NE2-NE2 3.47Å
216Y26.6Very low29.3Very low226 Ų226153.8 Ų153.889%0.88677%0.773SS**  trans-103.883.5169.8-71-79.2000110.8
217S26.9Very low29.3Very low100 Ų100155.2 Ų155.270%0.69978%0.778SS**  trans-176.383.2152.256.60000110.9
218Q27.5Very low29.3Very low135 Ų135153.9 Ų153.963%0.63178%0.777SS**  trans-109.6121.5147-73.8-151.6-35.400106.7E50E50-Q218 VanDerWaalsContact CD-CG 3.43Å; E50-Q218 HydrophobicContact CG-CG 4.35Å; E50-Q218 WeakPolarHBondContact OE1-CG 3.36Å; E50-Q218 WeakPolarHBondContact OE2-CG 3.48Å; E50-Q218 PolarHBondContact OE2-NE2 3.4Å
219P30.1Very low29.3Very low100 Ų100157.3 Ų157.365%0.64978%0.778SS**  trans-78.8128.1-176.628.4-30.2000111.6A221P219-A221 PolarHBondContact O-N 3.17Å
220T34.8Very low29.4Very low136 Ų136161.2 Ų161.283%0.83479%0.788SS**  trans-55.3126.8167.720.60000110.7D222T220-D222 PolarHBondContact O-N 3.44Å
221A29Very low29.5Very low88 Ų88156.8 Ų156.873%0.72778%0.783SS**SBendtrans-7587.9174.900000109.3P219P219-A221 PolarHBondContact O-N 3.17Å
222D30.5Very low29.5Very low158 Ų158156 Ų15685%0.84578%0.78SS**  trans-164.835.9164.3-96.6-20.4000113T220T220-D222 PolarHBondContact O-N 3.44Å
223Q31.6Very low29.4Very low190 Ų190159.7 Ų159.789%0.88879%0.794SS**  trans-137.366.7170.9-68.6-169.715.500111.3
224Q28.2Very low29.6Very low188 Ų188151.5 Ų151.588%0.87978%0.783SS**  trans-89.784.8155.8-78.5-172.8-16.600108.4
225T28.9Very low29.4Very low111 Ų111152.5 Ų152.568%0.68179%0.788SS**  trans-174.7134.9150.94.90000113.5
226Y25.5Very low29.4Very low221 Ų221153 Ų15387%0.86780%0.8SS**  trans66109.5160-57.4-69.3000119.7
227S30.1Very low29.7Very low115 Ų115152.1 Ų152.180%0.80480%0.795SS**  170.9110.9100.4-1760000111
228T27.6Very low30.2Very low135 Ų135152.9 Ų152.983%0.82880%0.797SS**  trans-65.9127.1164-1.40000110.2
229R29.3Very low30.2Very low232 Ų232157.6 Ų157.688%0.87581%0.811SS**  trans-175.395.2146.3-102.9168.5-169.7-147.13.1108.3
230Q30.3Very low30.5Very low180 Ų180159.7 Ų159.784%0.84181%0.812SS**  55.9101.6105.1-76.6-167.9-19.200114.2
231N32.7Very low30.8Very low152 Ų152157.8 Ų157.881%0.81380%0.802SS**  -163.8104.9119.4-113-16.6000112.9
232N29.6Very low31.5Very low136 Ų136159.2 Ų159.273%0.72780%0.798SS**  trans17.3113.7137.7-71.5-11.9000119.5
233N30.2Very low32.2Very low167 Ų167157.6 Ų157.689%0.89379%0.789SS**  166.5114.8103.7-90.1-19000110.9
234G30.3Very low32.7Very low63 Ų63152.7 Ų152.765%0.64977%0.769SS**  trans149.282.2172.900000111.7V236G234-V236 PolarHBondContact O-N 3.15Å
235Y26.9Very low33.5Very low245 Ų245146.6 Ų146.696%0.96175%0.751SS**  trans-49.1100.5171.2-92.8-102.4000110.9
236V30.8Very low34.6Very low135 Ų135147.5 Ų147.582%0.81875%0.747SS**  trans-109.4102.1161.2-179.20000106.7G234G234-V236 PolarHBondContact O-N 3.15Å
237R32.9Very low35.9Very low207 Ų207144.8 Ų144.878%0.78174%0.736SS**  trans-46.9128.1175.6-145.5178.9-164.8-1423.9109.5Y239R237-Y239 PolarHBondContact O-N 3.4Å
238P36.6Very low36.9Very low116 Ų116144.2 Ų144.275%0.75372%0.723SS**  trans-58.8129.7169.2-15.427.8000107.9Q240P238-Q240 PolarHBondContact O-N 3.47Å
239Y29.1Very low38.2Very low234 Ų234141.6 Ų141.692%0.91871%0.706SS**  trans-55.8103171.8-112-93.6000108.2R237R237-Y239 PolarHBondContact O-N 3.4Å
240Q36.3Very low39.5Very low145 Ų145133.2 Ų133.268%0.67869%0.687SS**PPolyproline II helixtrans-60.5130.3162.7-123.8168.9-23.900106.5P238 N242P238-Q240 PolarHBondContact O-N 3.47Å; Q240-N242 PolarHBondContact O-N 3.31Å; Q240-N242 VanDerWaalsContact O-N 3.08Å
241P39.7Very low41.1Very low96 Ų96129.7 Ų129.762%0.62367%0.67SS**PPolyproline II helixtrans-58.9120171.416.6-16.9000106.9D243P241-D243 PolarHBondContact O-N 2.9Å
242N43.5Very low42.2Very low118 Ų118131 Ų13163%0.63166%0.664SS**PPolyproline II helixtrans-55.8116.3177.4-119.20.7000107.9Q240 D244 A245Q240-N242 PolarHBondContact O-N 3.31Å; Q240-N242 VanDerWaalsContact O-N 3.08Å; N242-D244 PolarHBondContact O-N 3.02Å; N242-A245 PolarHBondContact O-N 2.85Å
243D46.7Very low43.6Very low124 Ų124130.6 Ų130.666%0.66366%0.658SS**Hα-helixtrans-52.4-25.9175.2-77.7-39.7000111.6P241 A245 Q246 R247P241-D243 PolarHBondContact O-N 2.9Å; D243-A245 PolarHBondContact O-N 3.02Å; D243-Q246 PolarHBondContact O-N 3.1Å; D243-R247 WeakPolarHBondContact O-CB 3.32Å; D243-R247 PolarHBondContact O-N 2.81Å
244D42.2Very low45.1Very low86 Ų86124.8 Ų124.846%0.4663%0.63SS.*Hα-helixtrans-64.1-33174.8-72.6-25.9000114N242 R247 L248N242-D244 PolarHBondContact O-N 3.02Å; D244-R247 IonicContact OD1-NH1 3.65Å; D244-L248 WeakPolarHBondContact O-CB 3.32Å; D244-L248 PolarHBondContact O-N 3.05Å
245A45Very low46.2Very low61 Ų61125.7 Ų125.750%0.50462%0.62SS.*Hα-helixtrans-74.3-35.217900000111.6N242 D243 V249N242-A245 PolarHBondContact O-N 2.85Å; D243-A245 PolarHBondContact O-N 3.02Å; A245-V249 VanDerWaalsContact O-CG2 3.32Å; A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 3Å
246Q51.5Low47.4Very low130 Ų130123 Ų12361%0.60761%0.609SS**Hα-helixtrans-74-38172.7-72.4-173.20.900111.6D243 L248 V249 A250D243-Q246 PolarHBondContact O-N 3.1Å; Q246-L248 PolarHBondContact O-N 2.86Å; Q246-V249 PolarHBondContact O-N 3.35Å; Q246-A250 PolarHBondContact O-N 3.03Å
247R51.8Low48.6Very low164 Ų164123.2 Ų123.262%0.61960%0.602SS**Hα-helixtrans-60.5-41.4171.6-106.3-178.766.4-153.61.9113D243 D244 V249 A250 Q251D243-R247 WeakPolarHBondContact O-CB 3.32Å; D243-R247 PolarHBondContact O-N 2.81Å; D244-R247 IonicContact OD1-NH1 3.65Å; R247-V249 VanDerWaalsContact C-N 3.32Å; R247-V249 PolarHBondContact O-N 2.72Å; R247-A250 PolarHBondContact O-N 3.37Å; R247-Q251 VanDerWaalsContact O-CB 3.31Å; R247-Q251 WeakPolarHBondContact O-CB 3.33Å; R247-Q251 PolarHBondContact O-N 3.28Å
248L52.5Low49.7Very low103 Ų103120.3 Ų120.354%0.53959%0.594SS.*Hα-helixtrans-67.1-30.6178-99.9148.5000113.2D244 Q246 R252D244-L248 WeakPolarHBondContact O-CB 3.32Å; D244-L248 PolarHBondContact O-N 3.05Å; Q246-L248 PolarHBondContact O-N 2.86Å; L248-R252 WeakPolarHBondContact O-CB 3.31Å; L248-R252 PolarHBondContact O-N 3.02Å
249V54.2Low50.4Low79 Ų79124.9 Ų124.948%0.47960%0.597SS.*Hα-helixtrans-75.6-42.8174.3174.80000110.7A245 Q246 R247 R252 Q253A245-V249 VanDerWaalsContact O-CG2 3.32Å; A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 3Å; Q246-V249 PolarHBondContact O-N 3.35Å; R247-V249 VanDerWaalsContact C-N 3.32Å; R247-V249 PolarHBondContact O-N 2.72Å; V249-R252 PolarHBondContact O-N 3.08Å; V249-Q253 PolarHBondContact O-N 2.85Å; V249-Q253 VanDerWaalsContact O-N 3.1Å
250A57.7Low51.4Low56 Ų56117.6 Ų117.646%0.46359%0.585SS.*Hα-helixtrans-64.3-38.9175.600000112.6Q246 R247 Q253 S254Q246-A250 PolarHBondContact O-N 3.03Å; R247-A250 PolarHBondContact O-N 3.37Å; A250-Q253 PolarHBondContact O-N 2.68Å; A250-S254 PolarHBondContact O-N 3.12Å; A250-S254 VanDerWaalsContact O-N 3.13Å
251Q62.4Low52.1Low106 Ų106117.5 Ų117.550%0.49559%0.589SS.*Hα-helixtrans-66.9-42177.1-165.3168.611.600111.5R247 Q253 S254 D255R247-Q251 VanDerWaalsContact O-CB 3.31Å; R247-Q251 WeakPolarHBondContact O-CB 3.33Å; R247-Q251 PolarHBondContact O-N 3.28Å; Q251-Q253 VanDerWaalsContact C-N 3.32Å; Q251-Q253 PolarHBondContact O-N 3.25Å; Q251-S254 PolarHBondContact O-N 3.26Å; Q251-S254 PolarHBondContact O-OG 3.32Å; Q251-D255 PolarHBondContact O-N 3.35Å
252R56.5Low52.2Low179 Ų179117.3 Ų117.368%0.67559%0.586SS**Hα-helixtrans-64.8-31.2175.4-92.9-156.6-86.8-172.2-6.4113.9L248 V249 Y256L248-R252 WeakPolarHBondContact O-CB 3.31Å; L248-R252 PolarHBondContact O-N 3.02Å; V249-R252 PolarHBondContact O-N 3.08Å; R252-Y256 PolarHBondContact O-N 2.9Å
253Q58.8Low51.8Low129 Ų129115.5 Ų115.560%0.60360%0.595SS**Hα-helixtrans-70.4-40.5173.4-75.6175-2100111.3V249 A250 Q251 D255 Y256 E257V249-Q253 PolarHBondContact O-N 2.85Å; V249-Q253 VanDerWaalsContact O-N 3.1Å; A250-Q253 PolarHBondContact O-N 2.68Å; Q251-Q253 VanDerWaalsContact C-N 3.32Å; Q251-Q253 PolarHBondContact O-N 3.25Å; Q253-D255 PolarHBondContact O-N 3.06Å; Q253-Y256 PolarHBondContact O-N 3.39Å; Q253-E257 PolarHBondContact O-N 3.44Å
254S61.4Low51.3Low45 Ų45118.1 Ų118.132%0.31560%0.603SS.*Hα-helixtrans-67.1-33.7176.983.70000113.7A250 Q251 Y256 E257 K258A250-S254 PolarHBondContact O-N 3.12Å; A250-S254 VanDerWaalsContact O-N 3.13Å; Q251-S254 PolarHBondContact O-N 3.26Å; Q251-S254 PolarHBondContact O-OG 3.32Å; S254-Y256 VanDerWaalsContact C-N 3.33Å; S254-E257 PolarHBondContact O-N 2.89Å; S254-K258 WeakPolarHBondContact O-CB 3.5Å; S254-K258 WeakPolarHBondContact O-CG 3.43Å; S254-K258 PolarHBondContact O-N 3.01Å
255D54.7Low50.7Low81 Ų81122.6 Ų122.643%0.43362%0.621SS.*Hα-helixtrans-72.8-27.8178-71-28.4000112.1Q251 Q253 R259Q251-D255 PolarHBondContact O-N 3.35Å; Q253-D255 PolarHBondContact O-N 3.06Å; D255-R259 PolarHBondContact O-N 2.95Å
256Y51.4Low50Low189 Ų189125.9 Ų125.974%0.74164%0.639SS**Hα-helixtrans-73.7-40.2174.2-122.3-89.9000111.7R252 Q253 S254 R259 A260R252-Y256 PolarHBondContact O-N 2.9Å; Q253-Y256 PolarHBondContact O-N 3.39Å; S254-Y256 VanDerWaalsContact C-N 3.33Å; Y256-R259 PolarHBondContact O-N 3.47Å; Y256-A260 PolarHBondContact O-N 3.29Å; Y256-A260 VanDerWaalsContact O-N 3.11Å
257E55.8Low48.8Very low140 Ų140123.4 Ų123.465%0.65464%0.641SS**Hα-helixtrans-69.3-34.6174.3-75.7-179.1159.100112.6Q253 S254 A260 N261Q253-E257 PolarHBondContact O-N 3.44Å; S254-E257 PolarHBondContact O-N 2.89Å; E257-A260 PolarHBondContact O-N 3.26Å; E257-N261 PolarHBondContact O-N 3.48Å; E257-N261 PolarHBondContact O-ND2 2.87Å
258K56.5Low47.7Very low145 Ų145123.8 Ų123.863%0.6365%0.65SS**Hα-helixtrans-69.9-32.2174.4-78.7-179.8179.1177.60113.5S254 T262S254-K258 WeakPolarHBondContact O-CB 3.5Å; S254-K258 WeakPolarHBondContact O-CG 3.43Å; S254-K258 PolarHBondContact O-N 3.01Å; K258-T262 PolarHBondContact O-N 3.39Å; K258-T262 PolarHBondContact O-OG1 2.98Å
259R51.6Low46.4Very low213 Ų213123.4 Ų123.480%0.80466%0.656SS**Hα-helixtrans-77.2-26.3174.3-81.8-175173.6-168.9-1.3113.6D255 Y256 N261D255-R259 PolarHBondContact O-N 2.95Å; Y256-R259 PolarHBondContact O-N 3.47Å; R259-N261 VanDerWaalsContact C-N 3.33Å
260A49.3Very low45.3Very low81 Ų81131 Ų13167%0.66968%0.677SS**Hα-helixtrans-74.3-23.8174.200000113Y256 E257Y256-A260 PolarHBondContact O-N 3.29Å; Y256-A260 VanDerWaalsContact O-N 3.11Å; E257-A260 PolarHBondContact O-N 3.26Å
261N50.7Low44.1Very low142 Ų142133.6 Ų133.676%0.75969%0.692SS**SBendtrans-104.42.7-176.1-73.9-25.1000115.1E257 R259E257-N261 PolarHBondContact O-N 3.48Å; E257-N261 PolarHBondContact O-ND2 2.87Å; R259-N261 VanDerWaalsContact C-N 3.33Å
262T42.9Very low42.3Very low92 Ų92134.6 Ų134.656%0.56470%0.701SS**  trans-111.692175.340.20000109.3K258 H264K258-T262 PolarHBondContact O-N 3.39Å; K258-T262 PolarHBondContact O-OG1 2.98Å; T262-H264 PolarHBondContact O-N 3.39Å
263G34.9Very low41.1Very low80 Ų80132.8 Ų132.883%0.82571%0.71SS**  trans-65.666.3179.600000113.8E265G263-E265 PolarHBondContact O-N 3.38Å
264H35.6Very low39.5Very low179 Ų179135.5 Ų135.583%0.82972%0.716SS**  trans-89.598.9173.6-106.6-56.8000110.9T262 C266T262-H264 PolarHBondContact O-N 3.39Å; H264-C266 PolarHBondContact O-N 3.13Å
265E29.3Very low38Very low180 Ų180143.1 Ų143.184%0.84174%0.744SS**  trans-49125.2161.7-58.9179157.300110.7G263G263-E265 PolarHBondContact O-N 3.38Å
266C29.9Very low36.6Very low130 Ų130148.3 Ų148.388%0.87877%0.765SS**  trans-140.297.7154.7-111.70000108.2H264H264-C266 PolarHBondContact O-N 3.13Å
267A26.5Very low35.6Very low78 Ų78147.1 Ų147.165%0.64577%0.769SS**  trans-56.2131.9166.100000109.9
268H30Very low34.3Very low173 Ų173145.9 Ų145.980%0.80177%0.773SS**  178.7107.7111.9-85.4-49.7000111
269S25.3Very low32.9Very low95 Ų95145 Ų14566%0.66478%0.78SS**  trans53.1101.2135.555.20000118.8
270Y30.7Very low31.9Very low238 Ų238141.3 Ų141.393%0.93378%0.781SS**  trans-147.6140.7133.6-85.7-74.3000110.6
271S31.2Very low31Very low111 Ų111143.9 Ų143.978%0.77678%0.783SS**  trans-62139.6-166.350.50000116.3
272N25.1Very low30Very low127 Ų127142.3 Ų142.368%0.67978%0.78SS**  trans-50.7136.1168.8-86.2-25.7000114.7Y274N272-Y274 HydrophobicContact CB-CD2 4.41Å; N272-Y274 HydrophobicContact CB-CE2 4.33Å
273T31.9Very low29.7Very low141 Ų141144.2 Ų144.287%0.86579%0.794SS**  trans-146.3116.7136.61.10000108.7
274Y25.1Very low29.7Very low185 Ų185150.1 Ų150.173%0.72580%0.797SS**  trans-68133.9-176.4-79.5-112.3000111.5N272N272-Y274 HydrophobicContact CB-CD2 4.41Å; N272-Y274 HydrophobicContact CB-CE2 4.33Å
275F29.5Very low29.3Very low205 Ų205151.5 Ų151.590%0.89980%0.801SS**  trans-138.5114145.9-89-79.6000109.5
276Q25.9Very low29.5Very low190 Ų190147.9 Ų147.989%0.88880%0.802SS**PPolyproline II helixtrans-64.5122.1177.7-136.4164.44.600109.4
277M29.4Very low29.5Very low165 Ų165147.9 Ų147.981%0.81380%0.798SS**PPolyproline II helixtrans-82.7135166.4-82.1-169.170.300109.6
278P28.3Very low29.4Very low113 Ų113149.1 Ų149.173%0.73480%0.802SS**PPolyproline II helixtrans-77.7124.9172.329.9-29.2000110.3
279T27Very low29.5Very low128 Ų128146.7 Ų146.779%0.78580%0.804SS**PPolyproline II helixtrans-66.9125.8168.8-46.80000109.4
280V31.9Very low29.6Very low135 Ų135151 Ų15182%0.81881%0.814SS**  trans-126.8116.2166.7-178.20000108.1
281D29.9Very low29.7Very low134 Ų134146.8 Ų146.872%0.71781%0.813SS**PPolyproline II helixtrans-62.1152.2-178.9-79.6-54.5000113.8
282P29.3Very low29.5Very low109 Ų109149.9 Ų149.971%0.70882%0.815SS**PPolyproline II helixtrans-81.4136.5176.632.3-31.4000111.4
283P36.3Very low29.8Very low132 Ų132156.1 Ų156.186%0.85783%0.829SS**PPolyproline II helixtrans-76.3135.117030.1-29.6000110.6
284K35.2Very low29.7Very low205 Ų205158.3 Ų158.389%0.89183%0.829SS**PPolyproline II helixtrans-60.5146.8-173.9-70.4170.8174.7174.20113.8
285K27.6Very low30Very low208 Ų208155 Ų15590%0.90483%0.831SS**PPolyproline II helixtrans-52.2134.8162.7-70.9176.7174.9179.30111
286A33.1Very low30.1Very low103 Ų103154.8 Ų154.885%0.85183%0.832SS**  trans-122.1139.3155.800000109.1
287T30.1Very low30.3Very low130 Ų130152.1 Ų152.180%0.79883%0.829SS**  trans-95.2150.1-156.4-36.70000112.1
288S25.4Very low30.6Very low105 Ų105153.5 Ų153.573%0.73483%0.834SS**  trans1.5138.8158.867.50000121.5
289S32.3Very low30.9Very low121 Ų121152 Ų15285%0.84683%0.83SS**  -151.1130.2116.358.10000111.5
290Q27Very low31.1Very low187 Ų187151.5 Ų151.587%0.87483%0.827SS**  trans-68145.1167-65.5165.9-47.400109.6
291V31.8Very low31.1Very low149 Ų149153.3 Ų153.390%0.90383%0.826SS**  -153.4130.4125.5178.30000109.2
292Q26.3Very low31.3Very low175 Ų175152.9 Ų152.982%0.81883%0.829SS**  trans-90.6140.8-177.9-171.9-179.326.600109.7
293R33Very low31.3Very low258 Ų258151.7 Ų151.797%0.97483%0.828SS**  trans-171147.6141.6-104.3173.4-152-1577.7113
294Q28.3Very low31.1Very low188 Ų188151.3 Ų151.388%0.87983%0.829SS**  trans-95.2176-157.6-105.8-178.1-16.800114.6
295P32.2Very low30.8Very low116 Ų116150.3 Ų150.375%0.75383%0.827SS**  trans-97164.8-164.639.1-34.7000114.7
296Q32.6Very low31.3Very low199 Ų199145.5 Ų145.593%0.9382%0.817SS**  trans-142.5133.7163.6-84.4-173.2-28.800112.8
297T29Very low31.6Very low135 Ų135152.5 Ų152.583%0.82882%0.822SS**  trans-79.2154.4171.5300000113.5
298E36.4Very low31.8Very low194 Ų194153.5 Ų153.591%0.90782%0.822SS**  trans167148.7144-94.6176.3-176.600107.6
299A33.7Very low32.3Very low80 Ų80156.3 Ų156.366%0.66183%0.829SS**  cis-175.3171.3-8.700000109.7
300V32.7Very low32.6Very low118 Ų118154.7 Ų154.772%0.71582%0.823SS**  trans85.9101.3151.3-162.10000117.7
301Q31.3Very low33.2Very low173 Ų173154.4 Ų154.481%0.80882%0.822SS**  61.7137.588.7-57.4176.92.300113.6
302T33.6Very low33.5Very low125 Ų125156.5 Ų156.577%0.76782%0.819SS**  cis-172.6134.84717.80000107.3
303A30Very low34Very low84 Ų84152.3 Ų152.369%0.69481%0.814SS**  96.9129.681.900000116.5
304S32.3Very low34.3Very low124 Ų124147.1 Ų147.187%0.86780%0.804SS**  trans111.6109.9139.8-37.80000120.2
305Q28.5Very low34.7Very low185 Ų185147.4 Ų147.486%0.86480%0.802SS**  trans-79.3-169.7158.6-93.7-167.9-22.400111.4
306P38.8Very low34.8Very low106 Ų106148.2 Ų148.269%0.68881%0.807SS**  -132.2175.9-54.138.1-21.5000111.6
307R39.1Very low35Very low250 Ų250144.5 Ų144.594%0.94380%0.804SS**  trans-154.4140.1155.7-83.1-157.8175.2172.1-2.7113.9
308D32.6Very low35.1Very low152 Ų152144.9 Ų144.981%0.81381%0.806SS**  trans-63.8155.7174.8-62.9-64.5000114.6
309D36.6Very low35Very low163 Ų163140.7 Ų140.787%0.87280%0.804SS**  178.4139.8113.9-106.3-33.2000115.7
310A38.9Very low35Very low88 Ų88146.5 Ų146.573%0.72782%0.815SS**  trans66.399.4140.600000124.4
311E38.6Very low35.3Very low181 Ų181148.6 Ų148.685%0.84682%0.82SS**  20.7128.7119.2-111.2-173.4174.100122.9
312K40.1Very low35.4Very low192 Ų192146.4 Ų146.484%0.83582%0.819SS**  152.3109.4127.4-85.3174.1-177-179.10110.5
313A35Very low35.4Very low87 Ų87145.9 Ų145.972%0.71982%0.817SS**  101136.676.500000113.8
314I39.2Very low35.7Very low150 Ų150151.5 Ų151.577%0.76983%0.829SS**  trans120.2100.8145.7-56.6165.4000118.3
315K38.4Very low35.6Very low194 Ų194152.3 Ų152.384%0.84383%0.829SS**  trans61.6140.2133.8-64.2178.8-177.41780123.7
316P33.7Very low35.8Very low132 Ų132147.1 Ų147.186%0.85783%0.825SS**  trans-96.1155.3172.638.5-31000113
317S35.6Very low35.4Very low122 Ų122151.1 Ų151.185%0.85384%0.835SS**  trans-128.4130.4168.5-1720000111
318T32.7Very low35.2Very low142 Ų142144.5 Ų144.587%0.87183%0.827SS**  trans-95140.9172.827.80000109.3
319A34.6Very low35.3Very low106 Ų106144.4 Ų144.488%0.87683%0.826SS**  trans-136.5119.1163.200000110.1
320K33.2Very low35.2Very low203 Ų203143.3 Ų143.388%0.88382%0.82SS**  trans-84.2135.3167.9-103.2176.6167.8-179.60108.9
321I38.3Very low34.9Very low162 Ų162146.9 Ų146.983%0.83182%0.822SS**  trans-15799143.7-49.5-177.8000106.7
322T34.7Very low34.5Very low126 Ų126147.4 Ų147.477%0.77383%0.825SS**  65.8124.893.5-300000115.8
323P33.4Very low34.2Very low114 Ų114142.1 Ų142.174%0.7483%0.825SS**  trans-97.9153.1179.337.8-30.8000112.6
324E35.8Very low34.3Very low202 Ų202144 Ų14494%0.94483%0.827SS**  trans-160.2155147.6-79.7-146.4154.300111.9
325T29.8Very low33.9Very low142 Ų142146 Ų14687%0.87183%0.83SS**  trans-73.6152.9-164.4-35.60000114.8
326G32.6Very low33.6Very low75 Ų75145.2 Ų145.277%0.77383%0.83SS**  trans-169.4106.1165.900000112.5
327E29.7Very low33.4Very low191 Ų191147.7 Ų147.789%0.89383%0.83SS**  trans-68.7139.3167.8-68.617213900111.1
328S36.4Very low33.1Very low111 Ų111149.7 Ų149.778%0.77683%0.83SS**  168.2132.6127.8600000111.5
329D33.5Very low33.2Very low149 Ų149148.8 Ų148.880%0.79782%0.819SS**  trans-11.9143.3156.9-53.4-38000116.5
330N34.8Very low33Very low140 Ų140150.7 Ų150.775%0.74981%0.813SS**  -178.9160.853.3-136.7-9.8000110.2
331E32.7Very low32.9Very low163 Ų163151.2 Ų151.276%0.76281%0.811SS**  trans86136.2151-66.1-166.2172.400123.9
332E31Very low32.6Very low193 Ų193154.5 Ų154.590%0.90281%0.813SS**  trans73.886.9159.4-71.5-174.9141.700120.1
333G34Very low33Very low81 Ų81157.8 Ų157.884%0.83582%0.817SS**  trans-144.4105.8164.900000112.1
334T35.9Very low33.1Very low127 Ų127158 Ų15878%0.77982%0.819SS**  trans-73.6141.7-17622.20000113.5
335K30.6Very low33.4Very low191 Ų191158.5 Ų158.583%0.8382%0.817SS**  trans63.5105.6146.5-62.5173-178.5176.70118.8
336E32.3Very low34Very low178 Ų178159.2 Ų159.283%0.83282%0.815SS**  176.9112.3111.8-95.1177.3-172.300109.4L338E336-L338 PolarHBondContact O-N 3.1Å
337Q30.1Very low34.8Very low183 Ų183160.7 Ų160.786%0.85581%0.811SS**  trans-66.7119177.3-78.5173.8-100110.6I339Q337-I339 PolarHBondContact O-N 3.37Å
338L30.1Very low35.9Very low165 Ų165157.4 Ų157.486%0.86481%0.806SS**  trans-62.992.1164.4-88.3146000110E336 L340E336-L338 PolarHBondContact O-N 3.1Å; L338-L340 PolarHBondContact O-N 3.31Å; L338-L340 VanDerWaalsContact O-N 3.1Å
339I33.3Very low36.7Very low123 Ų123157.4 Ų157.463%0.63181%0.806SS**  trans-76.894.1168.1-58.6175.1000108Q337 Y341Q337-I339 PolarHBondContact O-N 3.37Å; I339-Y341 HydrophobicContact CG2-CD2 4.1Å; I339-Y341 HydrophobicContact CG2-CE2 4.06Å; I339-Y341 PolarHBondContact O-N 3.21Å; I339-Y341 VanDerWaalsContact O-N 3.13Å
340L31.3Very low37.4Very low145 Ų145154.8 Ų154.876%0.75980%0.798SS**  trans-66.7104163.1-115.1101.2000108.4L338 R342L338-L340 PolarHBondContact O-N 3.31Å; L338-L340 VanDerWaalsContact O-N 3.1Å; L340-R342 VanDerWaalsContact C-N 3.32Å; L340-R342 PolarHBondContact O-N 3.46Å
341Y31.4Very low38Very low215 Ų215151.5 Ų151.584%0.84379%0.785SS**  trans-64.893.2166.9-87.6-90.2000109.5I339 K343I339-Y341 HydrophobicContact CG2-CD2 4.1Å; I339-Y341 HydrophobicContact CG2-CE2 4.06Å; I339-Y341 PolarHBondContact O-N 3.21Å; I339-Y341 VanDerWaalsContact O-N 3.13Å; Y341-K343 PolarHBondContact O-N 3.11Å
342R32Very low39Very low231 Ų231152.8 Ų152.887%0.87279%0.788SS**PPolyproline II helixtrans-64.2122.3165.3-82.1-178.6170.4156.8-0.9108.4L340L340-R342 VanDerWaalsContact C-N 3.32Å; L340-R342 PolarHBondContact O-N 3.46Å
343K42.3Very low39.9Very low194 Ų194152.4 Ų152.484%0.84378%0.784SS**PPolyproline II helixtrans-51.6140.8167.9-76.4-175.4178.7-178.80109.8Y341 K345Y341-K343 PolarHBondContact O-N 3.11Å; K343-K345 PolarHBondContact O-N 3.45Å
344P36.7Very low40.7Very low120 Ų120152.3 Ų152.378%0.77977%0.767SS**PPolyproline II helixtrans-55.3128.1171.8-1929.2000109.7L346P344-L346 PolarHBondContact O-N 2.89Å
345K40.1Very low41.2Very low211 Ų211149.7 Ų149.792%0.91775%0.751SS**  trans-65.3102.9169.9-78.3-178178.2176.90107.7K343K343-K345 PolarHBondContact O-N 3.45Å
346L42.9Very low41.9Very low157 Ų157149.8 Ų149.882%0.82275%0.747SS**PPolyproline II helixtrans-59.9138.4166.7-75.9164.7000108.8P344P344-L346 PolarHBondContact O-N 2.89Å
347P49.8Very low42.7Very low106 Ų106149.2 Ų149.269%0.68874%0.742SS**PPolyproline II helixtrans-57.9144.6175.423.5-31.9000110.1S349P347-S349 PolarHBondContact O-N 3.03Å
348P52.8Low43.4Very low123 Ų123150.3 Ų150.380%0.79974%0.738SS**PPolyproline II helixtrans-57.3131.4-178.722.9-32.1000110.2
349S52.2Low44.4Very low110 Ų110149.8 Ų149.877%0.76973%0.729SS**PPolyproline II helixtrans-58136.7174.5-46.30000109.5P347 S351P347-S349 PolarHBondContact O-N 3.03Å; S349-S351 PolarHBondContact O-N 3.21Å
350P48.8Very low45Very low95 Ų95150.9 Ų150.962%0.61773%0.729SS**PPolyproline II helixtrans-57.6137-178.322.4-32.1000110.3V355P350-V355 HydrophobicContact CG-CG2 4.36Å
351S47.4Very low45.9Very low70 Ų70149.4 Ų149.449%0.4972%0.722SS.*PPolyproline II helixtrans-52143.5-179.784.90000110.7S349 K353 T354S349-S351 PolarHBondContact O-N 3.21Å; S351-K353 PolarHBondContact O-N 3Å; S351-K353 PolarHBondContact OG-N 3.49Å; S351-T354 PolarHBondContact O-N 3.44Å; S351-T354 PolarHBondContact O-OG1 3.41Å; S351-T354 PolarHBondContact OG-N 2.79Å; S351-T354 PolarHBondContact OG-OG1 3.18Å
352K54.5Low46.9Very low191 Ų191146.2 Ų146.283%0.8372%0.715SS**Hα-helixtrans-54.5-18.7175.8-71.5-178.3179.7176.30112.9Y356K352-Y356 WeakPolarHBondContact O-CD2 3.47Å
353K50Low47.8Very low184 Ų184142.5 Ų142.580%0.871%0.708SS**Hα-helixtrans-76.8-24.3175.3-73.3-175.9175-179.60114S351S351-K353 PolarHBondContact O-N 3Å; S351-K353 PolarHBondContact OG-N 3.49Å
354T49.3Very low48.2Very low79 Ų79138.3 Ų138.349%0.48569%0.694SS.*Hα-helixtrans-86.8-24.7-179.98.10000113.4S351S351-T354 PolarHBondContact O-N 3.44Å; S351-T354 PolarHBondContact O-OG1 3.41Å; S351-T354 PolarHBondContact OG-N 2.79Å; S351-T354 PolarHBondContact OG-OG1 3.18Å
355V48Very low48.8Very low73 Ų73141.3 Ų141.344%0.44270%0.695SS.*Hα-helixtrans-74.7-29.1178.4-1770000112.1P350P350-V355 HydrophobicContact CG-CG2 4.36Å
356Y45.5Very low49.3Very low192 Ų192139.8 Ų139.875%0.75369%0.691SS**Hα-helixtrans-76.1-20.1177.6-86.7-90.8000114.4K352K352-Y356 WeakPolarHBondContact O-CD2 3.47Å
357K48.5Very low49.3Very low167 Ų167137.6 Ų137.673%0.72668%0.684SS**Hα-helixtrans-81-27.1174.3-79.7-168.1174.7-174.60113.5
358R45.5Very low49Very low206 Ų206141.3 Ų141.378%0.77769%0.69SS**Hα-helixtrans-77.5-36.2178.2-80.1-175.3176.6171.1-1.2113.2K360 N361R358-K360 PolarHBondContact O-N 3.47Å; R358-N361 PolarHBondContact O-N 3.49Å
359K49.4Very low48.5Very low153 Ų153141.5 Ų141.567%0.66569%0.691SS**Hα-helixtrans-72.3-24.7175.9-81.9-170.8171.5-172.60114.5
360K47.4Very low48.1Very low146 Ų146146.7 Ų146.764%0.63570%0.7SS**Hα-helixtrans-74.9-29.9177.2-151.3173.1-178.1-176.90112.5R358 D364R358-K360 PolarHBondContact O-N 3.47Å; K360-D364 PolarHBondContact O-N 3.34Å
361N50.1Low47.8Very low115 Ų115146.3 Ų146.362%0.61571%0.705SS**Hα-helixtrans-84-12.1178.9-80.7-0.3000115.2R358R358-N361 PolarHBondContact O-N 3.49Å
362E50.8Low47.1Very low148 Ų148147.2 Ų147.269%0.69272%0.716SS**Hα-helixtrans-92.8-28.3173.3-86.9178.1155.100112.8
363Q51.9Low46.4Very low153 Ų153144.8 Ų144.872%0.71571%0.712SS**Hα-helixtrans-80.5-27.5174.4-79.7-176.5-39.800113.5K365Q363-K365 VanDerWaalsContact C-N 3.25Å; Q363-K365 PolarHBondContact O-N 3.45Å
364D50.7Low45.8Very low106 Ų106144.5 Ų144.557%0.56771%0.714SS**THydrogen-bonded Turntrans-80.21.2175.2-77.3-23.4000113.9K360K360-D364 PolarHBondContact O-N 3.34Å
365K48.9Very low45.3Very low183 Ų183152.7 Ų152.780%0.79675%0.754SS**THydrogen-bonded Turntrans-104.8-2.2176.4-77-172.5177.2-172.10114.8Q363Q363-K365 VanDerWaalsContact C-N 3.25Å; Q363-K365 PolarHBondContact O-N 3.45Å
366Q50.1Low45.2Very low179 Ų179156.7 Ų156.784%0.83677%0.769SS**SBendtrans-108.97.1177.7-85.9-177.4-1300114.5
367T43.7Very low45.2Very low110 Ų110154.8 Ų154.868%0.67577%0.77SS**  trans-125.167.6176.628.10000110.6
368K44.4Very low45Very low185 Ų185154.2 Ų154.280%0.80477%0.772SS**  trans-135.2116.9157.4-80.2-168.5176.6-174.30109K370K368-K370 PolarHBondContact O-N 3.37Å
369P41.7Very low44.9Very low126 Ų126151.1 Ų151.182%0.81877%0.772SS**  trans-67.3125.3167.728.9-29000107.4A371P369-A371 VanDerWaalsContact C-N 3.31Å; P369-A371 PolarHBondContact O-N 2.75Å
370K42.9Very low44.7Very low219 Ų219151 Ų15195%0.95278%0.779SS**  trans-69.496.6163.1-89-174.4171.9-174.40107K368K368-K370 PolarHBondContact O-N 3.37Å
371A42.2Very low44.5Very low88 Ų88151.3 Ų151.373%0.72779%0.788SS**  trans-83.1135.6158.800000108.8P369P369-A371 VanDerWaalsContact C-N 3.31Å; P369-A371 PolarHBondContact O-N 2.75Å
372A34.6Very low44.1Very low88 Ų88153.9 Ų153.973%0.72780%0.801SS**  trans56.1114154.500000119.9
373D39.9Very low43.6Very low141 Ų141154.4 Ų154.475%0.75481%0.809SS**  -168.8107.4120.9-96.6-27.2000107.2
374Q37.1Very low42.9Very low177 Ų177154.5 Ų154.583%0.82782%0.817SS**  70.39092.1-76.2-169.479.300114.3
375L38.3Very low42.1Very low252 Ų252158.9 Ų158.9100%1.31984%0.84SS**  -163.20122.1-105.9160.6000109.4

Retrieved 375 of 375 residues in 167 ms (Link to these results)