A0A077YWV8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YWV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 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
1M38.7Very low44.5Very low242 Ų242154.2 Ų154.2100%1.19279%0.793SS**  01060-81.2173.4157.400108.5K3M1-K3 PolarHBondContact O-N 3.45Å
2K41.6Very low44.7Very low206 Ų206153.7 Ų153.790%0.89678%0.781SS**  trans-73.8121175.6-72.3177.1178.5175.30107.4E4K2-E4 PolarHBondContact O-N 2.82Å
3K48.1Very low44.2Very low201 Ų201148.8 Ų148.887%0.87476%0.755SS**  trans-72.7108.7173.5-79.6179.8175.4177.90107.5M1 T5M1-K3 PolarHBondContact O-N 3.45Å; K3-T5 PolarHBondContact O-N 2.89Å
4E53.5Low43.8Very low150 Ų150144.2 Ų144.270%0.70174%0.743SS**  trans-68.5120.8171.6-75.4176.9162.900109.1K2 I6K2-E4 PolarHBondContact O-N 2.82Å; E4-I6 PolarHBondContact O-N 2.82Å; E4-I6 VanDerWaalsContact O-N 3.12Å
5T45.5Very low43.5Very low124 Ų124139.5 Ų139.576%0.76173%0.728SS**  trans-76.397.3-178.846.90000109.3K3 I7K3-T5 PolarHBondContact O-N 2.89Å; T5-I7 PolarHBondContact O-N 3.24Å
6I48.7Very low43.3Very low131 Ų131140.1 Ų140.167%0.67273%0.725SS**  trans-67.4110.4169.5-63.3169.4000107.5E4 H8E4-I6 PolarHBondContact O-N 2.82Å; E4-I6 VanDerWaalsContact O-N 3.12Å; I6-H8 PolarHBondContact O-N 2.88Å
7I46.5Very low43.4Very low146 Ų146139.1 Ų139.175%0.74973%0.727SS**  trans-85.9107179.2-37177.8000107.7T5 S9T5-I7 PolarHBondContact O-N 3.24Å; I7-S9 PolarHBondContact O-N 2.68Å
8H35.3Very low43.5Very low173 Ų173140 Ų14080%0.80173%0.726SS**  trans-72.788175.7-88-89.4000110.8I6I6-H8 PolarHBondContact O-N 2.88Å
9S46.8Very low43.3Very low74 Ų74141.8 Ų141.852%0.51773%0.731SS.*  trans-95.3118.3150.264.50000107.5I7 Q11I7-S9 PolarHBondContact O-N 2.68Å; S9-Q11 PolarHBondContact O-N 2.88Å
10G37.6Very low43.3Very low70 Ų70141.8 Ų141.872%0.72274%0.737SS**THydrogen-bonded Turntrans-34.1117.3-168.700000115.7F12G10-F12 PolarHBondContact O-N 3.18Å
11Q47.4Very low42.7Very low179 Ų179142.9 Ų142.984%0.83674%0.736SS**THydrogen-bonded Turntrans46-2.2154-147.972.6-12.100121.2S9S9-Q11 PolarHBondContact O-N 2.88Å
12F47.1Very low42.8Very low148 Ų148136 Ų13665%0.64972%0.717SS**THydrogen-bonded Turntrans-118-5.5-175.3-153.5-105.7000116G10G10-F12 PolarHBondContact O-N 3.18Å
13M38Very low42.7Very low91 Ų91133.2 Ų133.245%0.44871%0.708SS.*  trans-145.729.7-173-69.2-174.456.900115.9S15 W92M13-S15 PolarHBondContact O-N 2.72Å; M13-W92 HydrophobicContact CE-CH2 4.19Å; M13-W92 HydrophobicContact CE-CZ3 3.64Å
14S38.2Very low42.3Very low84 Ų84132.5 Ų132.559%0.58771%0.708SS**  trans-79.687.3175.1-56.30000111.4
15S38.9Very low41.6Very low73 Ų73134.9 Ų134.951%0.5172%0.719SS.*  trans-84.7124.2161.159.60000109.1M13 V17M13-S15 PolarHBondContact O-N 2.72Å; S15-V17 PolarHBondContact O-N 2.75Å
16H40.9Very low41.2Very low149 Ų149137.3 Ų137.369%0.6972%0.722SS**  trans-62.8128.6169.5-70.761.5000107.8H18H16-H18 PolarHBondContact O-N 3.31Å
17V45.1Very low40.5Very low123 Ų123139.9 Ų139.975%0.74573%0.731SS**  trans-7083.2171.5-179.20000106.1S15 E19S15-V17 PolarHBondContact O-N 2.75Å; V17-E19 PolarHBondContact O-N 3.48Å
18H45.4Very low40.2Very low156 Ų156139.2 Ų139.272%0.72273%0.727SS**  trans-72.3112.4170.6-76.5-22000107.8H16 V20H16-H18 PolarHBondContact O-N 3.31Å; H18-V20 PolarHBondContact O-N 2.95Å
19E38.6Very low39.8Very low175 Ų175137.6 Ų137.682%0.81872%0.724SS**  trans-43.8122.1165.3-131.1170.5-17100108.1V17 K21V17-E19 PolarHBondContact O-N 3.48Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.01Å
20V43.7Very low39.4Very low140 Ų140141 Ų14185%0.84874%0.735SS**  trans-62.196.2-179.1177.90000107.6H18 A22H18-V20 PolarHBondContact O-N 2.95Å; V20-A22 PolarHBondContact O-N 3.06Å
21K30.9Very low39.3Very low165 Ų165143.1 Ų143.172%0.71773%0.734SS**  trans-78.7114.6157.5-79.3-171.9171.7-171.10106.9E19 E23E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.01Å; K21-E23 HydrophobicContact CB-CG 4.32Å; K21-E23 PolarHBondContact O-N 2.81Å
22A41.1Very low38.5Very low97 Ų97139.5 Ų139.580%0.80273%0.728SS**  trans-67.684.9166.900000107.7V20V20-A22 PolarHBondContact O-N 3.06Å
23E39.6Very low37.8Very low149 Ų149140.3 Ų140.370%0.69674%0.739SS**  trans-112.692.1169.2-71.8179-160.800106.7K21K21-E23 HydrophobicContact CB-CG 4.32Å; K21-E23 PolarHBondContact O-N 2.81Å
24E38.9Very low37.3Very low186 Ų186138.8 Ų138.887%0.86975%0.748SS**  trans37.9110.5143.7-63175.6177.900117.8E26E24-E26 PolarHBondContact O-N 3.03Å
25E40.1Very low37Very low200 Ų200141.4 Ų141.494%0.93576%0.76SS**  trans-61.497.4168-62.3178.1167.300109.4E27E25-E27 PolarHBondContact O-N 3.4Å
26E35.7Very low36.8Very low175 Ų175144.9 Ų144.982%0.81877%0.771SS**  trans-74.8105.8169.1-157175-158.800108.5E24 I28E24-E26 PolarHBondContact O-N 3.03Å; E26-I28 PolarHBondContact O-N 3.39Å
27E34.6Very low36.6Very low185 Ų185147 Ų14786%0.86478%0.781SS**  trans-64.996174.7-176.4175.3-165.400109.6E25 D29E25-E27 PolarHBondContact O-N 3.4Å; E27-D29 PolarHBondContact O-N 3.11Å
28I39.5Very low36Very low131 Ų131143.6 Ų143.667%0.67277%0.771SS**  trans-82.6103171.3-57.4176.6000108.3E26 I30E26-I28 PolarHBondContact O-N 3.39Å; I28-I30 HydrophobicContact CG2-CD1 4.44Å; I28-I30 HydrophobicContact CG2-CG1 3.9Å; I28-I30 PolarHBondContact O-N 3.11Å
29D26.8Very low35.7Very low139 Ų139140.1 Ų140.174%0.74377%0.769SS**  trans-69.6100.3170.9-163.813.3000109.6E27E27-D29 PolarHBondContact O-N 3.11Å
30I39.7Very low35.7Very low145 Ų145137.6 Ų137.674%0.74476%0.76SS**  trans-96100.1173.6-58.2-179.1000108.4I28 S32I28-I30 HydrophobicContact CG2-CD1 4.44Å; I28-I30 HydrophobicContact CG2-CG1 3.9Å; I28-I30 PolarHBondContact O-N 3.11Å; I30-S32 PolarHBondContact O-N 3.19Å
31V35.2Very low35.3Very low116 Ų116139.7 Ų139.770%0.70376%0.758SS**  trans-56.3117.3167.3176.50000110.6
32S31.3Very low35.8Very low102 Ų102137.4 Ų137.471%0.71375%0.752SS**  trans24.1113.7142-1610000117.9I30I30-S32 PolarHBondContact O-N 3.19Å
33D30.8Very low35.6Very low165 Ų165138.1 Ų138.188%0.88275%0.746SS**  -175136.995.4-155.8-1.1000110.6
34G29.2Very low35.6Very low60 Ų60135.7 Ų135.762%0.61974%0.744SS**SBendtrans107.777.8167.100000118.6
35V30.8Very low35.5Very low139 Ų139131.9 Ų131.984%0.84273%0.729SS**  trans64.779.1148.2-163.20000117
36I35.8Very low35.6Very low146 Ų146126.6 Ų126.675%0.74972%0.72SS**  trans-86.196.7159.1-60.8176.3000107.6G38 A39I36-G38 VanDerWaalsContact C-N 3.3Å; I36-G38 PolarHBondContact O-N 3.22Å; I36-A39 HydrophobicContact CG2-CB 4.08Å; I36-A39 VanDerWaalsContact CG2-N 3.31Å
37E34.7Very low36.2Very low192 Ų192128.5 Ų128.590%0.89772%0.719SS**SBendtrans-75.994.1151.4-98.6-171.2169.500107.2
38G33.7Very low36.7Very low52 Ų52123.6 Ų123.654%0.53670%0.699SS.*  trans59.884.7164.400000115.1I36 I40I36-G38 VanDerWaalsContact C-N 3.3Å; I36-G38 PolarHBondContact O-N 3.22Å; G38-I40 PolarHBondContact O-N 2.87Å
39A38.5Very low37.4Very low83 Ų83124.4 Ų124.469%0.68671%0.705SS**  trans-60.182.3143.600000106.8I36 K41I36-A39 HydrophobicContact CG2-CB 4.08Å; I36-A39 VanDerWaalsContact CG2-N 3.31Å; A39-K41 PolarHBondContact O-N 3.29Å
40I39.4Very low38.8Very low123 Ų123123 Ų12363%0.63170%0.697SS**  trans-65.991.2172.4-62.1172.5000104G38 I42G38-I40 PolarHBondContact O-N 2.87Å; I40-I42 HydrophobicContact CG2-CG1 4.3Å; I40-I42 PolarHBondContact O-N 2.87Å
41K34.3Very low39.6Very low184 Ų184119 Ų11980%0.868%0.681SS**  trans-47.6106145.9-74.2-178179.3-179.40103.3A39 V43A39-K41 PolarHBondContact O-N 3.29Å; K41-V43 HydrophobicContact CB-CG2 4.36Å; K41-V43 PolarHBondContact O-N 3.41Å
42I41.9Very low40.8Very low116 Ų116115.6 Ų115.660%0.59566%0.66SS**  trans-65.882.2166.3-58.2171.9000103.1I40 P44I40-I42 HydrophobicContact CG2-CG1 4.3Å; I40-I42 PolarHBondContact O-N 2.87Å; I42-P44 VanDerWaalsContact O-CD 3.3Å; I42-P44 WeakPolarHBondContact O-CD 3.3Å; I42-P44 VanDerWaalsContact O-N 3.11Å
43V37.8Very low42.4Very low112 Ų112114.5 Ų114.568%0.67965%0.649SS**  trans-55.1119.1167.7176.60000103.2K41 D45K41-V43 HydrophobicContact CB-CG2 4.36Å; K41-V43 PolarHBondContact O-N 3.41Å; V43-D45 PolarHBondContact O-N 2.91Å
44P38.6Very low44.4Very low99 Ų99113.8 Ų113.864%0.64364%0.639SS**  trans-57.4110.1170.7-13.626.6000104.8I42 A46I42-P44 VanDerWaalsContact O-CD 3.3Å; I42-P44 WeakPolarHBondContact O-CD 3.3Å; I42-P44 VanDerWaalsContact O-N 3.11Å; P44-A46 VanDerWaalsContact C-N 3.35Å; P44-A46 PolarHBondContact O-N 3.44Å
45D36.7Very low46.1Very low106 Ų106117.3 Ų117.357%0.56763%0.634SS**  trans-56.1110.2166.5-177.510.9000105.2V43 R47 D48V43-D45 PolarHBondContact O-N 2.91Å; D45-R47 PolarHBondContact O-N 2.8Å; D45-D48 PolarHBondContact O-N 2.99Å
46A42Very low48.1Very low88 Ų88116.7 Ų116.773%0.72762%0.62SS**THydrogen-bonded Turntrans-67.715.7-175.100000112.3P44P44-A46 VanDerWaalsContact C-N 3.35Å; P44-A46 PolarHBondContact O-N 3.44Å
47R48Very low49.8Very low216 Ų216114.2 Ų114.282%0.81560%0.604SS**THydrogen-bonded Turntrans-109-7.8178-64.9-174.4171.7-179.1-0.7114.1D45 D49D45-R47 PolarHBondContact O-N 2.8Å; R47-D49 PolarHBondContact O-N 3.41Å
48D46.9Very low51.4Low81 Ų81106.6 Ų106.643%0.43358%0.577SS.*  trans-100.865.6171.9-101.9-16.2000110.2D45 N50D45-D48 PolarHBondContact O-N 2.99Å; D48-N50 PolarHBondContact O-N 3.08Å
49D53.3Low53.3Low148 Ų148109.8 Ų109.879%0.79159%0.589SS**  trans-64.281.1158.4-75.9-32.5000108.2R47R47-D49 PolarHBondContact O-N 3.41Å
50N56.2Low54.9Low111 Ų111115.8 Ų115.859%0.59460%0.599SS**  trans4262.7158.1-101.753.7000116.7D48 V52D48-N50 PolarHBondContact O-N 3.08Å; N50-V52 PolarHBondContact O-N 3.34Å
51P55.7Low56Low61 Ų61112.8 Ų112.840%0.39659%0.587SS.*  trans-74.184.2168.324.6-24.1000109.6T53 T69P51-T53 PolarHBondContact O-N 3.24Å; P51-T69 HydrophobicContact CB-CG2 4.32Å; P51-T69 HydrophobicContact CG-CG2 3.52Å; P51-T69 WeakPolarHBondContact O-CG2 3.29Å
52V61Low57.6Low44 Ų44109.8 Ų109.827%0.26759%0.589SS.*  trans-57.2112.7166.5172.80000107.5N50 F54 A66N50-V52 PolarHBondContact O-N 3.34Å; V52-F54 HydrophobicContact CB-CE2 4.27Å; V52-F54 HydrophobicContact CG1-CD2 4.22Å; V52-F54 HydrophobicContact CG1-CE2 3.84Å; V52-F54 HydrophobicContact CG1-CZ 4Å; V52-F54 WeakPolarHBondContact O-CD2 3.44Å; V52-F54 PolarHBondContact O-N 2.86Å; V52-A66 HydrophobicContact CG1-CB 3.2Å
53T65.7Low58.5Low79 Ų79111.1 Ų111.149%0.48559%0.593SS.*EExtended strand (participates in β ladder)trans-84.1116.2177.152.20000108.8P51 Y55 I67P51-T53 PolarHBondContact O-N 3.24Å; T53-Y55 PolarHBondContact O-N 3.3Å; T53-I67 PolarHBondContact N-O 3.42Å; T53-I67 PolarHBondContact O-N 2.89Å; T53-I67 WeakPolarHBondContact OG1-CB 3.49Å; T53-I67 PolarHBondContact OG1-O 3.08Å
54F71.2Confident59.9Low150 Ų150109 Ų10966%0.65858%0.583SS**EExtended strand (participates in β ladder)trans-83.7113.1179.9-75.4-89.6000110.4V52 A66V52-F54 HydrophobicContact CB-CE2 4.27Å; V52-F54 HydrophobicContact CG1-CD2 4.22Å; V52-F54 HydrophobicContact CG1-CE2 3.84Å; V52-F54 HydrophobicContact CG1-CZ 4Å; V52-F54 WeakPolarHBondContact O-CD2 3.44Å; V52-F54 PolarHBondContact O-N 2.86Å; F54-A66 HydrophobicContact CE1-CB 4.33Å
55Y65.2Low61.4Low134 Ų134108.4 Ų108.453%0.52557%0.573SS.*EExtended strand (participates in β ladder)trans-94.1122.8171.3-166.9-94.3000109.7T53 F57 S64 I65 I67T53-Y55 PolarHBondContact O-N 3.3Å; Y55-F57 HydrophobicContact CD1-CD1 4.29Å; Y55-F57 HydrophobicContact CD1-CE1 4.38Å; Y55-F57 HydrophobicContact CE1-CD1 4.16Å; Y55-F57 HydrophobicContact CE1-CE1 4.42Å; Y55-S64 CarbonylContact O-C 3.56Å; Y55-S64 VanDerWaalsContact O-CA 3.29Å; Y55-S64 WeakPolarHBondContact O-CA 3.14Å; Y55-I65 PolarHBondContact N-O 3.34Å; Y55-I65 PolarHBondContact O-N 2.81Å; Y55-I67 HydrophobicContact CG-CD1 4.49Å
56K72.6Confident62.6Low125 Ų125105.6 Ų105.654%0.54357%0.565SS.*EExtended strand (participates in β ladder)trans-94.9127.9175.7-172.8178.5176.5-179.60109.6G58 T61K56-G58 VanDerWaalsContact C-N 3.27Å; K56-G58 WeakPolarHBondContact CE-O 3.41Å; K56-G58 PolarHBondContact O-N 3.34Å; K56-T61 WeakPolarHBondContact CE-O 3.45Å
57F72.3Confident63.6Low94 Ų94104.5 Ų104.541%0.41255%0.546SS..  trans-75.580.1176.4-71-67.8000111.4Y55 T61 Q63 I65Y55-F57 HydrophobicContact CD1-CD1 4.29Å; Y55-F57 HydrophobicContact CD1-CE1 4.38Å; Y55-F57 HydrophobicContact CE1-CD1 4.16Å; Y55-F57 HydrophobicContact CE1-CE1 4.42Å; F57-T61 VanDerWaalsContact CB-OG1 3.23Å; F57-T61 WeakPolarHBondContact CB-OG1 3.16Å; F57-T61 WeakPolarHBondContact O-CB 3.49Å; F57-T61 PolarHBondContact O-OG1 2.83Å; F57-Q63 HydrophobicContact CD2-CB 4.45Å; F57-Q63 WeakPolarHBondContact CD2-O 3.37Å; F57-Q63 PolarHBondContact N-O 2.69Å; F57-I65 HydrophobicContact CD2-CG1 4.46Å; F57-I65 HydrophobicContact CE2-CB 4.41Å; F57-I65 HydrophobicContact CE2-CD1 3.29Å; F57-I65 HydrophobicContact CE2-CG1 3.48Å; F57-I65 VanDerWaalsContact CE2-CG1 3.48Å; F57-I65 HydrophobicContact CZ-CD1 3.31Å; F57-I65 HydrophobicContact CZ-CG1 3.96Å
58G67.7Low64.4Low33 Ų3396.9 Ų96.934%0.3452%0.521SS..THydrogen-bonded Turntrans63.4-179.4175.400000114.5K56 K60K56-G58 VanDerWaalsContact C-N 3.27Å; K56-G58 WeakPolarHBondContact CE-O 3.41Å; K56-G58 PolarHBondContact O-N 3.34Å; G58-K60 PolarHBondContact O-N 2.7Å
59P74.1Confident65.2Low119 Ų11994.2 Ų94.277%0.77351%0.508SS*.THydrogen-bonded Turntrans-71.9-29.6-173.2-17.830.8000113.7
60K71.9Confident65.9Low209 Ų20988.5 Ų88.591%0.90948%0.48SS*.THydrogen-bonded Turntrans-94.5-5.8-167.8-63.2-174.8-179.1179.60114.8G58G58-K60 PolarHBondContact O-N 2.7Å
61T61.7Low66.4Low60 Ų6086.2 Ų86.237%0.36847%0.467SS..  trans-114.1137.1177.185.40000110.3K56 F57 Q63K56-T61 WeakPolarHBondContact CE-O 3.45Å; F57-T61 VanDerWaalsContact CB-OG1 3.23Å; F57-T61 WeakPolarHBondContact CB-OG1 3.16Å; F57-T61 WeakPolarHBondContact O-CB 3.49Å; F57-T61 PolarHBondContact O-OG1 2.83Å; T61-Q63 VanDerWaalsContact C-N 3.25Å
62S68.3Low67.1Low121 Ų12187.3 Ų87.385%0.84647%0.473SS*.  trans-86.12.9174.638.20000112.5S64S62-S64 PolarHBondContact O-N 3.21Å
63Q62.1Low68Low144 Ų14490 Ų9067%0.67348%0.481SS*.  trans-84.8115.7179.6-63.4-175.63.100109.4F57 T61F57-Q63 HydrophobicContact CD2-CB 4.45Å; F57-Q63 WeakPolarHBondContact CD2-O 3.37Å; F57-Q63 PolarHBondContact N-O 2.69Å; T61-Q63 VanDerWaalsContact C-N 3.25Å
64S65.7Low68.5Low68 Ų6886.7 Ų86.748%0.47646%0.46SS..EExtended strand (participates in β ladder)trans-109136.2172.358.60000110Y55 S62Y55-S64 CarbonylContact O-C 3.56Å; Y55-S64 VanDerWaalsContact O-CA 3.29Å; Y55-S64 WeakPolarHBondContact O-CA 3.14Å; S62-S64 PolarHBondContact O-N 3.21Å
65I69.8Low68.7Low85 Ų8581 Ų8144%0.43644%0.436SS..EExtended strand (participates in β ladder)trans-102.3128.2170.5-66.8-176.7000109.1Y55 F57 I67Y55-I65 PolarHBondContact N-O 3.34Å; Y55-I65 PolarHBondContact O-N 2.81Å; F57-I65 HydrophobicContact CD2-CG1 4.46Å; F57-I65 HydrophobicContact CE2-CB 4.41Å; F57-I65 HydrophobicContact CE2-CD1 3.29Å; F57-I65 HydrophobicContact CE2-CG1 3.48Å; F57-I65 VanDerWaalsContact CE2-CG1 3.48Å; F57-I65 HydrophobicContact CZ-CD1 3.31Å; F57-I65 HydrophobicContact CZ-CG1 3.96Å; I65-I67 HydrophobicContact CG2-CG1 4.5Å; I65-I67 PolarHBondContact O-N 3.43Å
66A63.2Low69.4Low47 Ų4780.1 Ų80.139%0.38844%0.436SS..EExtended strand (participates in β ladder)trans-70.4111.2164.800000109.7V52 F54V52-A66 HydrophobicContact CG1-CB 3.2Å; F54-A66 HydrophobicContact CE1-CB 4.33Å
67I61.8Low69.6Low66 Ų6674.8 Ų74.834%0.33841%0.414SS..EExtended strand (participates in β ladder)trans-93.1106.3168.9-57.3175000107.2T53 Y55 I65 L71T53-I67 PolarHBondContact N-O 3.42Å; T53-I67 PolarHBondContact O-N 2.89Å; T53-I67 WeakPolarHBondContact OG1-CB 3.49Å; T53-I67 PolarHBondContact OG1-O 3.08Å; Y55-I67 HydrophobicContact CG-CD1 4.49Å; I65-I67 HydrophobicContact CG2-CG1 4.5Å; I65-I67 PolarHBondContact O-N 3.43Å; I67-L71 HydrophobicContact CG2-CD2 4.15Å
68D65.6Low70Confident55 Ų5570.4 Ų70.429%0.29440%0.395SS..  trans-62.4137.5175.7-71.1-30.3000110.9S70 L71 R107D68-S70 WeakPolarHBondContact CB-OG 3.49Å; D68-S70 PolarHBondContact O-N 3.15Å; D68-S70 VanDerWaalsContact O-N 3.08Å; D68-L71 WeakPolarHBondContact O-CB 3.4Å; D68-L71 PolarHBondContact O-N 3Å; D68-R107 IonicContact OD2-NH1 2.87Å
69T63.7Low70.5Confident25 Ų2574.3 Ų74.315%0.15340%0.404CS..THydrogen-bonded Turntrans-56.6-19.7165.752.70000113.5P51 L71 T72 K73P51-T69 HydrophobicContact CB-CG2 4.32Å; P51-T69 HydrophobicContact CG-CG2 3.52Å; P51-T69 WeakPolarHBondContact O-CG2 3.29Å; T69-L71 PolarHBondContact O-N 3.31Å; T69-T72 PolarHBondContact O-N 3.39Å; T69-T72 VanDerWaalsContact O-N 3.11Å; T69-K73 PolarHBondContact O-N 3.16Å
70S68.1Low70.6Confident28 Ų2875.4 Ų75.420%0.19640%0.397CS..Hα-helixtrans-53.9-33171.468.60000111.4D68 T72 K73 L74D68-S70 WeakPolarHBondContact CB-OG 3.49Å; D68-S70 PolarHBondContact O-N 3.15Å; D68-S70 VanDerWaalsContact O-N 3.08Å; S70-T72 VanDerWaalsContact C-N 3.33Å; S70-T72 PolarHBondContact O-N 3.11Å; S70-K73 CarbonylContact O-C 3.58Å; S70-K73 WeakPolarHBondContact O-CB 3.1Å; S70-K73 PolarHBondContact O-N 3.02Å; S70-K73 VanDerWaalsContact O-N 3.11Å; S70-L74 WeakPolarHBondContact O-CG 3.47Å; S70-L74 PolarHBondContact O-N 3.5Å
71L65.8Low70.7Confident63 Ų6368.2 Ų68.233%0.3337%0.37SS..Hα-helixtrans-60.9-39.8178.4-173.963.5000112.6I67 D68 T69 L74 N75I67-L71 HydrophobicContact CG2-CD2 4.15Å; D68-L71 WeakPolarHBondContact O-CB 3.4Å; D68-L71 PolarHBondContact O-N 3Å; T69-L71 PolarHBondContact O-N 3.31Å; L71-L74 PolarHBondContact O-N 2.81Å; L71-N75 WeakPolarHBondContact O-CB 3.45Å; L71-N75 VanDerWaalsContact O-CG 3.24Å; L71-N75 PolarHBondContact O-N 3.39Å; L71-N75 PolarHBondContact O-ND2 3.47Å
72T70.9Confident71.2Confident84 Ų8466.8 Ų66.852%0.51536%0.358SS..Hα-helixtrans-66.6-40.6176.2-53.10000110.9T69 S70 L74 N75 K76T69-T72 PolarHBondContact O-N 3.39Å; T69-T72 VanDerWaalsContact O-N 3.11Å; S70-T72 VanDerWaalsContact C-N 3.33Å; S70-T72 PolarHBondContact O-N 3.11Å; T72-L74 VanDerWaalsContact C-N 3.34Å; T72-N75 PolarHBondContact O-N 3.26Å; T72-K76 WeakPolarHBondContact O-CG 3.42Å; T72-K76 PolarHBondContact O-N 3Å
73K79.9Confident71Confident102 Ų10270 Ų7044%0.44336%0.36SS..Hα-helixtrans-61.6-42.9173.5-64.7179.8-179.4174.50110.8T69 S70 K76 C77T69-K73 PolarHBondContact O-N 3.16Å; S70-K73 CarbonylContact O-C 3.58Å; S70-K73 WeakPolarHBondContact O-CB 3.1Å; S70-K73 PolarHBondContact O-N 3.02Å; S70-K73 VanDerWaalsContact O-N 3.11Å; K73-K76 WeakPolarHBondContact O-CB 3.21Å; K73-K76 PolarHBondContact O-N 3.39Å; K73-C77 PolarHBondContact O-N 2.61Å; K73-C77 PolarHBondContact O-SG 3.34Å
74L76.4Confident71.1Confident9 Ų970.2 Ų70.25%0.04736%0.361CS..Hα-helixtrans-64.2-41176.6-66.9173.8000112.9S70 L71 T72 C77 I78 D104 R107 L108S70-L74 WeakPolarHBondContact O-CG 3.47Å; S70-L74 PolarHBondContact O-N 3.5Å; L71-L74 PolarHBondContact O-N 2.81Å; T72-L74 VanDerWaalsContact C-N 3.34Å; L74-C77 WeakPolarHBondContact O-CB 3.35Å; L74-C77 PolarHBondContact O-N 3.48Å; L74-C77 VanDerWaalsContact O-N 3.16Å; L74-I78 PolarHBondContact O-N 3.45Å; L74-I78 VanDerWaalsContact O-N 3.11Å; L74-D104 HydrophobicContact CD2-CB 3.54Å; L74-R107 HydrophobicContact CD1-CB 4.33Å; L74-L108 HydrophobicContact CB-CD1 4.18Å
75N76.4Confident71Confident29 Ų2967.4 Ų67.416%0.15534%0.343CS..Hα-helixtrans-64.1-42.4176.2-73.9-20.3000111.4L71 T72 C77 I78 Q79L71-N75 WeakPolarHBondContact O-CB 3.45Å; L71-N75 VanDerWaalsContact O-CG 3.24Å; L71-N75 PolarHBondContact O-N 3.39Å; L71-N75 PolarHBondContact O-ND2 3.47Å; T72-N75 PolarHBondContact O-N 3.26Å; N75-C77 VanDerWaalsContact C-N 3.29Å; N75-C77 PolarHBondContact O-N 3.21Å; N75-I78 PolarHBondContact O-N 3.06Å; N75-Q79 WeakPolarHBondContact O-CG 3.23Å; N75-Q79 PolarHBondContact O-N 3Å; N75-Q79 VanDerWaalsContact O-N 3.08Å
76K80.2Confident71Confident117 Ų11768 Ų6851%0.50934%0.343SS..Hα-helixtrans-58-42.8171.6-71.5178.6-179.9-177.70110.7T72 K73 I78 Q79 F80T72-K76 WeakPolarHBondContact O-CG 3.42Å; T72-K76 PolarHBondContact O-N 3Å; K73-K76 WeakPolarHBondContact O-CB 3.21Å; K73-K76 PolarHBondContact O-N 3.39Å; K76-I78 PolarHBondContact O-N 3.12Å; K76-Q79 PolarHBondContact O-N 3.29Å; K76-Q79 VanDerWaalsContact O-N 3.15Å; K76-F80 HydrophobicContact CB-CD2 4.36Å; K76-F80 HydrophobicContact CB-CE2 4.37Å; K76-F80 WeakPolarHBondContact O-CD2 3.42Å; K76-F80 PolarHBondContact O-N 3.45Å
77C76.3Confident71.7Confident13 Ų1365.8 Ų65.89%0.08832%0.324CS..Hα-helixtrans-58.4-42.9176.8-66.60000113K73 L74 N75 F80 V81 I100K73-C77 PolarHBondContact O-N 2.61Å; K73-C77 PolarHBondContact O-SG 3.34Å; L74-C77 WeakPolarHBondContact O-CB 3.35Å; L74-C77 PolarHBondContact O-N 3.48Å; L74-C77 VanDerWaalsContact O-N 3.16Å; N75-C77 VanDerWaalsContact C-N 3.29Å; N75-C77 PolarHBondContact O-N 3.21Å; C77-F80 PolarHBondContact O-N 3.29Å; C77-V81 WeakPolarHBondContact O-CB 3.16Å; C77-V81 WeakPolarHBondContact O-CG2 3.44Å; C77-V81 PolarHBondContact O-N 2.88Å; C77-I100 HydrophobicContact CB-CD1 3.96Å
78I79.8Confident72.4Confident2 Ų269.6 Ų69.61%0.0134%0.335CS..Hα-helixtrans-60.5-48.5173.6-85.5163.4000110.9L74 N75 K76 F80 V81 Y82 L108 V111 I112 C129L74-I78 PolarHBondContact O-N 3.45Å; L74-I78 VanDerWaalsContact O-N 3.11Å; N75-I78 PolarHBondContact O-N 3.06Å; K76-I78 PolarHBondContact O-N 3.12Å; I78-F80 VanDerWaalsContact C-N 3.26Å; I78-F80 PolarHBondContact O-N 3Å; I78-V81 PolarHBondContact O-N 2.98Å; I78-Y82 HydrophobicContact CG2-CD2 4.25Å; I78-Y82 WeakPolarHBondContact O-CD2 3.34Å; I78-Y82 PolarHBondContact O-N 2.85Å; I78-L108 HydrophobicContact CD1-CD1 3.22Å; I78-L108 HydrophobicContact CD1-CG 3.79Å; I78-L108 HydrophobicContact CG1-CD1 3.45Å; I78-L108 VanDerWaalsContact CG1-CD1 3.45Å; I78-L108 HydrophobicContact CG1-CD2 4.04Å; I78-L108 HydrophobicContact CG1-CG 3.73Å; I78-V111 HydrophobicContact CD1-CG1 4.13Å; I78-I112 HydrophobicContact CD1-CG1 4.48Å; I78-C129 HydrophobicContact CG2-CB 4.32Å; I78-C129 WeakPolarHBondContact CG2-SG 3.39Å
79Q78.5Confident73Confident115 Ų11569.5 Ų69.554%0.53734%0.337SS..Hα-helixtrans-63.1-32.1-178.4-70.1175.8-12.600112.7N75 K76 Y82N75-Q79 WeakPolarHBondContact O-CG 3.23Å; N75-Q79 PolarHBondContact O-N 3Å; N75-Q79 VanDerWaalsContact O-N 3.08Å; K76-Q79 PolarHBondContact O-N 3.29Å; K76-Q79 VanDerWaalsContact O-N 3.15Å; Q79-Y82 CarbonylContact C-O 3.57Å; Q79-Y82 CarbonylContact O-C 3.58Å
80F77.2Confident73.8Confident141 Ų14170.2 Ų70.262%0.61834%0.342SS*.Hα-helixtrans-74.9-44.1174.4-83.7-68000112.9K76 C77 I78 Y82K76-F80 HydrophobicContact CB-CD2 4.36Å; K76-F80 HydrophobicContact CB-CE2 4.37Å; K76-F80 WeakPolarHBondContact O-CD2 3.42Å; K76-F80 PolarHBondContact O-N 3.45Å; C77-F80 PolarHBondContact O-N 3.29Å; I78-F80 VanDerWaalsContact C-N 3.26Å; I78-F80 PolarHBondContact O-N 3Å; F80-Y82 VanDerWaalsContact C-N 3.34Å; F80-Y82 PolarHBondContact O-N 3.21Å
81V74.3Confident74.4Confident59 Ų5975.8 Ų75.836%0.35836%0.362SS..Hα-helixtrans-66.9-38.1-177.6171.20000111.7C77 I78 F95 L98C77-V81 WeakPolarHBondContact O-CB 3.16Å; C77-V81 WeakPolarHBondContact O-CG2 3.44Å; C77-V81 PolarHBondContact O-N 2.88Å; I78-V81 PolarHBondContact O-N 2.98Å; V81-F95 HydrophobicContact CG1-CD1 4.26Å; V81-F95 HydrophobicContact CG1-CE1 4.27Å; V81-F95 HydrophobicContact CG2-CD1 4Å; V81-F95 HydrophobicContact CG2-CE1 4.45Å; V81-L98 HydrophobicContact CG2-CD1 3.24Å
82Y72.2Confident75.1Confident29 Ų2976.4 Ų76.411%0.11436%0.36CS..SBendtrans-108.8104.9177.4-58.9-79.1000106.6I78 Q79 F80 E84 G85 L87 K93 F95 I112I78-Y82 HydrophobicContact CG2-CD2 4.25Å; I78-Y82 WeakPolarHBondContact O-CD2 3.34Å; I78-Y82 PolarHBondContact O-N 2.85Å; Q79-Y82 CarbonylContact C-O 3.57Å; Q79-Y82 CarbonylContact O-C 3.58Å; F80-Y82 VanDerWaalsContact C-N 3.34Å; F80-Y82 PolarHBondContact O-N 3.21Å; Y82-E84 PolarHBondContact O-N 2.89Å; Y82-G85 PolarHBondContact O-N 3.28Å; Y82-L87 HydrophobicContact CD1-CD2 3.53Å; Y82-L87 HydrophobicContact CD2-CD2 3.36Å; Y82-L87 HydrophobicContact CE1-CD2 3.38Å; Y82-L87 HydrophobicContact CE2-CD2 3.21Å; Y82-L87 HydrophobicContact CG-CD2 3.5Å; Y82-L87 VanDerWaalsContact CG-CD2 3.5Å; Y82-K93 WeakPolarHBondContact OH-CG 3.15Å; Y82-F95 HydrophobicContact CE2-CE1 4.39Å; Y82-I112 HydrophobicContact CE2-CD1 4.36Å
83Q64.2Low75.7Confident190 Ų19076.5 Ų76.589%0.88835%0.353SS*.THydrogen-bonded Turntrans-49-10.4-166-77.4174.7-16.600117.3
84E62.6Low75.7Confident147 Ų14777 Ų7769%0.68736%0.357SS*.THydrogen-bonded Turntrans-148.927.3168.6-61.8-174.8152.700112.9Y82 K86Y82-E84 PolarHBondContact O-N 2.89Å; E84-K86 HydrophobicContact CB-CD 4.34Å; E84-K86 HydrophobicContact CB-CG 4.44Å; E84-K86 PolarHBondContact O-N 3.18Å; E84-K86 WeakPolarHBondContact OE2-CE 3.08Å; E84-K86 IonicContact OE2-NZ 3.53Å; E84-K86 PolarHBondContact OE2-NZ 2.94Å
85G64.8Low76Confident9 Ų977.2 Ų77.29%0.09336%0.358CS..SBendtrans69.59.8-174.400000115.1Y82 C129 F130Y82-G85 PolarHBondContact O-N 3.28Å; G85-C129 PolarHBondContact O-SG 3.04Å; G85-F130 PolarHBondContact O-N 3.36Å
86K69.1Low76Confident99 Ų9982.9 Ų82.943%0.4338%0.383SS..EExtended strand (participates in β ladder)trans-82.9108.2177.5-72.7173.6-178.6162.80110.7E84E84-K86 HydrophobicContact CB-CD 4.34Å; E84-K86 HydrophobicContact CB-CG 4.44Å; E84-K86 PolarHBondContact O-N 3.18Å; E84-K86 WeakPolarHBondContact OE2-CE 3.08Å; E84-K86 IonicContact OE2-NZ 3.53Å; E84-K86 PolarHBondContact OE2-NZ 2.94Å
87L78.9Confident75.9Confident0 Ų081.3 Ų81.30%040%0.4CS..EExtended strand (participates in β ladder)trans-94.7138.7175.8-61.6177.4000111.1Y82 I112 C129 F130 F131 S132Y82-L87 HydrophobicContact CD1-CD2 3.53Å; Y82-L87 HydrophobicContact CD2-CD2 3.36Å; Y82-L87 HydrophobicContact CE1-CD2 3.38Å; Y82-L87 HydrophobicContact CE2-CD2 3.21Å; Y82-L87 HydrophobicContact CG-CD2 3.5Å; Y82-L87 VanDerWaalsContact CG-CD2 3.5Å; L87-I112 HydrophobicContact CD1-CB 4.5Å; L87-I112 HydrophobicContact CD1-CG1 4.14Å; L87-I112 HydrophobicContact CD1-CG2 4.07Å; L87-C129 HydrophobicContact CD1-CB 4.12Å; L87-C129 WeakPolarHBondContact CD1-SG 3.24Å; L87-C129 WeakPolarHBondContact CG-SG 3.46Å; L87-F130 PolarHBondContact N-O 3.43Å; L87-F131 HydrophobicContact CB-CD1 3.56Å; L87-F131 HydrophobicContact CB-CD2 4.32Å; L87-F131 HydrophobicContact CB-CE1 3.54Å; L87-F131 HydrophobicContact CB-CE2 4.28Å; L87-F131 HydrophobicContact CB-CG 3.97Å; L87-F131 HydrophobicContact CB-CZ 3.93Å; L87-F131 HydrophobicContact CD1-CD2 4.22Å; L87-F131 HydrophobicContact CD1-CE1 4.02Å; L87-F131 HydrophobicContact CD1-CE2 3.59Å; L87-F131 HydrophobicContact CD1-CZ 3.51Å; L87-F131 HydrophobicContact CG-CE1 4.44Å; L87-F131 HydrophobicContact CG-CZ 4.39Å; L87-F131 CarbonylContact O-C 3.49Å; L87-F131 WeakPolarHBondContact O-CA 3.34Å; L87-F131 WeakPolarHBondContact O-CD1 3.42Å; L87-S132 PolarHBondContact O-N 2.97Å
88Y76.6Confident76.1Confident145 Ų14583 Ų8357%0.56941%0.409SS*.  trans-106.3-20.4174-61.7-74.5000113.4S132 P134Y88-S132 VanDerWaalsContact CD1-O 3.23Å; Y88-S132 WeakPolarHBondContact CD1-O 3.46Å; Y88-S132 VanDerWaalsContact CE1-OG 3.24Å; Y88-S132 WeakPolarHBondContact CE1-OG 3.27Å; Y88-P134 HydrophobicContact CD1-CG 3.68Å; Y88-P134 HydrophobicContact CE1-CB 4.45Å; Y88-P134 HydrophobicContact CE1-CG 3.96Å
89T78.1Confident76.2Confident54 Ų5491.6 Ų91.633%0.33145%0.454SS..  trans-144.9132.1-172.4-176.40000112.3K91 F131T89-K91 HydrophobicContact CG2-CB 4.18Å; T89-K91 PolarHBondContact O-N 3.04Å; T89-K91 VanDerWaalsContact OG1-CB 3.27Å; T89-K91 WeakPolarHBondContact OG1-CB 2.88Å; T89-K91 PolarHBondContact OG1-N 3.42Å; T89-F131 VanDerWaalsContact C-CE1 3.5Å
90P79.1Confident76.4Confident39 Ų3986.9 Ų86.925%0.25343%0.433SS..  trans-78.25.7173.334-37.3000112.3W116 F131P90-W116 HydrophobicContact CB-CB 3.93Å; P90-W116 HydrophobicContact CB-CD2 4.29Å; P90-W116 HydrophobicContact CB-CG 3.65Å; P90-W116 HydrophobicContact CG-CD2 4.35Å; P90-W116 HydrophobicContact CG-CG 3.99Å; P90-F131 HydrophobicContact CB-CE1 4.27Å; P90-F131 HydrophobicContact CB-CZ 4.17Å
91K80.9Confident76.8Confident146 Ų14683 Ų8364%0.63543%0.427SS*.SBendtrans-61.1140.3-179.7-174.2175.3-177.41780110.5T89 K93T89-K91 HydrophobicContact CG2-CB 4.18Å; T89-K91 PolarHBondContact O-N 3.04Å; T89-K91 VanDerWaalsContact OG1-CB 3.27Å; T89-K91 WeakPolarHBondContact OG1-CB 2.88Å; T89-K91 PolarHBondContact OG1-N 3.42Å; K91-K93 PolarHBondContact O-N 2.74Å
92W81.8Confident77.3Confident76 Ų7687.5 Ų87.529%0.28844%0.437SS..  trans-51.4132.9176.9-166.6-87.1000112.2M13 H94 V106 N109M13-W92 HydrophobicContact CE-CH2 4.19Å; M13-W92 HydrophobicContact CE-CZ3 3.64Å; W92-H94 AromaticContact CD1-CE1 3.86Å; W92-V106 HydrophobicContact CH2-CG1 4.44Å; W92-V106 HydrophobicContact CH2-CG2 4.26Å; W92-V106 HydrophobicContact CZ2-CG2 4.24Å; W92-N109 WeakPolarHBondContact CA-OD1 3.44Å; W92-N109 HydrophobicContact CD2-CB 3.99Å; W92-N109 HydrophobicContact CE3-CB 3.63Å; W92-N109 HydrophobicContact CH2-CB 3.73Å; W92-N109 HydrophobicContact CZ2-CB 4.07Å; W92-N109 HydrophobicContact CZ3-CB 3.49Å; W92-N109 VanDerWaalsContact CZ3-CB 3.49Å
93K83.2Confident78Confident85 Ų8593.5 Ų93.537%0.3746%0.464SS..  trans-119.5138.7179.7-71.4-72.6-174.2171.80110.8Y82 K91 F95 N109Y82-K93 WeakPolarHBondContact OH-CG 3.15Å; K91-K93 PolarHBondContact O-N 2.74Å; K93-F95 HydrophobicContact CB-CD2 4.37Å; K93-F95 HydrophobicContact CB-CE1 4.28Å; K93-F95 HydrophobicContact CB-CE2 3.93Å; K93-F95 HydrophobicContact CB-CZ 3.87Å; K93-F95 WeakPolarHBondContact O-CD2 3.49Å; K93-F95 WeakPolarHBondContact O-CE2 3.27Å; K93-N109 PolarHBondContact N-OD1 2.85Å; K93-N109 PolarHBondContact O-ND2 3.47Å; K93-N109 PolarHBondContact O-OD1 3.35Å
94H80.3Confident79Confident114 Ų11486.4 Ų86.453%0.52843%0.432SS..  trans-91.4-11.1-178.3-63.7-77.4000113.9W92 Q96W92-H94 AromaticContact CD1-CE1 3.86Å; H94-Q96 HydrophobicContact CB-CG 4.01Å; H94-Q96 PolarHBondContact O-N 3.35Å
95F81.3Confident80.2Confident12 Ų1283 Ų835%0.05341%0.413CS..  trans49.844.9-178.7-55.1-78.1000112.7V81 Y82 K93 L98 I100 L108 I112V81-F95 HydrophobicContact CG1-CD1 4.26Å; V81-F95 HydrophobicContact CG1-CE1 4.27Å; V81-F95 HydrophobicContact CG2-CD1 4Å; V81-F95 HydrophobicContact CG2-CE1 4.45Å; Y82-F95 HydrophobicContact CE2-CE1 4.39Å; K93-F95 HydrophobicContact CB-CD2 4.37Å; K93-F95 HydrophobicContact CB-CE1 4.28Å; K93-F95 HydrophobicContact CB-CE2 3.93Å; K93-F95 HydrophobicContact CB-CZ 3.87Å; K93-F95 WeakPolarHBondContact O-CD2 3.49Å; K93-F95 WeakPolarHBondContact O-CE2 3.27Å; F95-L98 PolarHBondContact O-N 2.9Å; F95-I100 HydrophobicContact CB-CD1 4.33Å; F95-L108 HydrophobicContact CD1-CD2 3.85Å; F95-L108 HydrophobicContact CD2-CD2 4Å; F95-L108 HydrophobicContact CE1-CD2 3.41Å; F95-L108 VanDerWaalsContact CE1-CD2 3.41Å; F95-L108 HydrophobicContact CE1-CG 4.23Å; F95-L108 HydrophobicContact CE2-CB 3.88Å; F95-L108 HydrophobicContact CE2-CD2 3.58Å; F95-L108 HydrophobicContact CE2-CG 3.98Å; F95-L108 HydrophobicContact CG-CD2 4.13Å; F95-L108 HydrophobicContact CZ-CB 4.06Å; F95-L108 HydrophobicContact CZ-CD2 3.26Å; F95-L108 HydrophobicContact CZ-CG 3.66Å; F95-I112 HydrophobicContact CZ-CD1 3.8Å
96Q76.8Confident81.3Confident148 Ų14884.1 Ų84.169%0.69242%0.418SS*.THydrogen-bonded Turntrans-62141.1177.7-61.4-64.5-10.800110H94 L98H94-Q96 HydrophobicContact CB-CG 4.01Å; H94-Q96 PolarHBondContact O-N 3.35Å; Q96-L98 VanDerWaalsContact C-N 3.34Å
97G79Confident82.3Confident84 Ų8485.2 Ų85.287%0.86642%0.42SS*.THydrogen-bonded Turntrans85.5-1.6-177.300000115.2
98L79.6Confident82.7Confident50 Ų5085.3 Ų85.326%0.26242%0.42SS..SBendtrans-111.7134.3171.4-71.6159.4000110.3V81 F95 Q96 I100V81-L98 HydrophobicContact CG2-CD1 3.24Å; F95-L98 PolarHBondContact O-N 2.9Å; Q96-L98 VanDerWaalsContact C-N 3.34Å; L98-I100 HydrophobicContact CB-CD1 3.68Å; L98-I100 HydrophobicContact CB-CG1 3.89Å; L98-I100 HydrophobicContact CD1-CD1 4.01Å; L98-I100 HydrophobicContact CG-CD1 4.4Å; L98-I100 PolarHBondContact O-N 3.45Å
99N80.8Confident83.3Confident182 Ų18278.7 Ų78.797%0.97339%0.394SS*.  trans-75.564.1176-72.3-18.4000111.3
100I83.3Confident83.9Confident16 Ų1679.6 Ų79.68%0.08240%0.397CS..  trans-108.5129179.4-59.7167.6000108.9C77 F95 L98 D104 R105C77-I100 HydrophobicContact CB-CD1 3.96Å; F95-I100 HydrophobicContact CB-CD1 4.33Å; L98-I100 HydrophobicContact CB-CD1 3.68Å; L98-I100 HydrophobicContact CB-CG1 3.89Å; L98-I100 HydrophobicContact CD1-CD1 4.01Å; L98-I100 HydrophobicContact CG-CD1 4.4Å; L98-I100 PolarHBondContact O-N 3.45Å; I100-D104 HydrophobicContact CG2-CB 3.42Å; I100-D104 VanDerWaalsContact CG2-CB 3.42Å; I100-R105 HydrophobicContact CB-CG 4.35Å; I100-R105 HydrophobicContact CG2-CG 3.98Å; I100-R105 PolarHBondContact O-NE 2.93Å; I100-R105 PolarHBondContact O-NH2 3.42Å
101A86Confident84.2Confident60 Ų6079.7 Ų79.750%0.49640%0.397SS..  trans-60.3149.3175.900000111.8K103 D104 R105A101-K103 VanDerWaalsContact C-N 3.28Å; A101-K103 PolarHBondContact O-N 2.94Å; A101-D104 WeakPolarHBondContact O-CA 3.37Å; A101-D104 WeakPolarHBondContact O-CB 3.24Å; A101-D104 PolarHBondContact O-N 3.33Å; A101-R105 WeakPolarHBondContact O-CG 3.37Å; A101-R105 PolarHBondContact O-N 3.48Å
102W85.4Confident84.6Confident152 Ų15272.8 Ų72.858%0.57637%0.367SS*.Hα-helixtrans-52.4-43.3178.9146.6-97000113.3D104 R105 V106W102-D104 PolarHBondContact O-N 2.98Å; W102-R105 WeakPolarHBondContact O-CB 3.35Å; W102-R105 PolarHBondContact O-N 3.19Å; W102-R105 VanDerWaalsContact O-N 3.12Å; W102-V106 HydrophobicContact CD2-CG2 3.97Å; W102-V106 HydrophobicContact CE3-CG2 3.99Å; W102-V106 HydrophobicContact CH2-CG2 3.61Å; W102-V106 HydrophobicContact CZ2-CG2 3.57Å; W102-V106 HydrophobicContact CZ3-CG2 3.82Å; W102-V106 PolarHBondContact O-N 3.44Å
103K86Confident85Confident156 Ų15673.9 Ų73.968%0.67837%0.371SS*.Hα-helixtrans-57.9-39.8178.7-67.8-177.7178.4178.60111.5A101 V106 R107A101-K103 VanDerWaalsContact C-N 3.28Å; A101-K103 PolarHBondContact O-N 2.94Å; K103-V106 PolarHBondContact O-N 2.95Å; K103-R107 WeakPolarHBondContact O-CG 3.38Å; K103-R107 PolarHBondContact O-N 3.31Å
104D86.6Confident85.3Confident40 Ų4078.4 Ų78.421%0.21439%0.386CS..Hα-helixtrans-73.8-34.9178.7-79.2-12.4000112.2L74 I100 A101 W102 V106 R107 L108L74-D104 HydrophobicContact CD2-CB 3.54Å; I100-D104 HydrophobicContact CG2-CB 3.42Å; I100-D104 VanDerWaalsContact CG2-CB 3.42Å; A101-D104 WeakPolarHBondContact O-CA 3.37Å; A101-D104 WeakPolarHBondContact O-CB 3.24Å; A101-D104 PolarHBondContact O-N 3.33Å; W102-D104 PolarHBondContact O-N 2.98Å; D104-V106 VanDerWaalsContact C-N 3.32Å; D104-V106 PolarHBondContact O-N 3.29Å; D104-R107 PolarHBondContact O-N 3.3Å; D104-L108 WeakPolarHBondContact O-CB 3.49Å; D104-L108 PolarHBondContact O-N 2.96Å
105R86.2Confident85.6Confident76 Ų7673.2 Ų73.229%0.28736%0.363SS..Hα-helixtrans-60.3-42.9170.7-62177.7-165.1-173.9-1.4111.4I100 A101 W102 L108 N109I100-R105 HydrophobicContact CB-CG 4.35Å; I100-R105 HydrophobicContact CG2-CG 3.98Å; I100-R105 PolarHBondContact O-NE 2.93Å; I100-R105 PolarHBondContact O-NH2 3.42Å; A101-R105 WeakPolarHBondContact O-CG 3.37Å; A101-R105 PolarHBondContact O-N 3.48Å; W102-R105 WeakPolarHBondContact O-CB 3.35Å; W102-R105 PolarHBondContact O-N 3.19Å; W102-R105 VanDerWaalsContact O-N 3.12Å; R105-L108 PolarHBondContact O-N 2.91Å; R105-N109 PolarHBondContact O-N 2.95Å; R105-N109 PolarHBondContact O-ND2 2.96Å
106V88.3Confident85.9Confident33 Ų3376 Ų7620%0.237%0.373CS..Hα-helixtrans-65.4-46.2175.8173.70000110.6W92 W102 K103 D104 L108 N109 N110W92-V106 HydrophobicContact CH2-CG1 4.44Å; W92-V106 HydrophobicContact CH2-CG2 4.26Å; W92-V106 HydrophobicContact CZ2-CG2 4.24Å; W102-V106 HydrophobicContact CD2-CG2 3.97Å; W102-V106 HydrophobicContact CE3-CG2 3.99Å; W102-V106 HydrophobicContact CH2-CG2 3.61Å; W102-V106 HydrophobicContact CZ2-CG2 3.57Å; W102-V106 HydrophobicContact CZ3-CG2 3.82Å; W102-V106 PolarHBondContact O-N 3.44Å; K103-V106 PolarHBondContact O-N 2.95Å; D104-V106 VanDerWaalsContact C-N 3.32Å; D104-V106 PolarHBondContact O-N 3.29Å; V106-L108 VanDerWaalsContact C-N 3.27Å; V106-L108 PolarHBondContact O-N 2.89Å; V106-N109 PolarHBondContact O-N 3.3Å; V106-N110 WeakPolarHBondContact O-CB 3.41Å; V106-N110 PolarHBondContact O-N 3.05Å; V106-N110 PolarHBondContact O-ND2 3.43Å
107R89.2Confident86.4Confident122 Ų12272.6 Ų72.646%0.4636%0.356SS..Hα-helixtrans-55-43.7174.4-75.2175.6172.8-162.7-3.2111.5D68 L74 K103 D104 N110 V111D68-R107 IonicContact OD2-NH1 2.87Å; L74-R107 HydrophobicContact CD1-CB 4.33Å; K103-R107 WeakPolarHBondContact O-CG 3.38Å; K103-R107 PolarHBondContact O-N 3.31Å; D104-R107 PolarHBondContact O-N 3.3Å; R107-N110 WeakPolarHBondContact O-CB 3.49Å; R107-N110 PolarHBondContact O-N 3.34Å; R107-V111 WeakPolarHBondContact O-CG2 3.43Å; R107-V111 PolarHBondContact O-N 3Å
108L87.6Confident86.9Confident2 Ų271 Ų711%0.0133%0.327CS..Hα-helixtrans-66.5-45-178.7-151.561.3000112.7L74 I78 F95 D104 R105 V106 N110 V111 I112L74-L108 HydrophobicContact CB-CD1 4.18Å; I78-L108 HydrophobicContact CD1-CD1 3.22Å; I78-L108 HydrophobicContact CD1-CG 3.79Å; I78-L108 HydrophobicContact CG1-CD1 3.45Å; I78-L108 VanDerWaalsContact CG1-CD1 3.45Å; I78-L108 HydrophobicContact CG1-CD2 4.04Å; I78-L108 HydrophobicContact CG1-CG 3.73Å; F95-L108 HydrophobicContact CD1-CD2 3.85Å; F95-L108 HydrophobicContact CD2-CD2 4Å; F95-L108 HydrophobicContact CE1-CD2 3.41Å; F95-L108 VanDerWaalsContact CE1-CD2 3.41Å; F95-L108 HydrophobicContact CE1-CG 4.23Å; F95-L108 HydrophobicContact CE2-CB 3.88Å; F95-L108 HydrophobicContact CE2-CD2 3.58Å; F95-L108 HydrophobicContact CE2-CG 3.98Å; F95-L108 HydrophobicContact CG-CD2 4.13Å; F95-L108 HydrophobicContact CZ-CB 4.06Å; F95-L108 HydrophobicContact CZ-CD2 3.26Å; F95-L108 HydrophobicContact CZ-CG 3.66Å; D104-L108 WeakPolarHBondContact O-CB 3.49Å; D104-L108 PolarHBondContact O-N 2.96Å; R105-L108 PolarHBondContact O-N 2.91Å; V106-L108 VanDerWaalsContact C-N 3.27Å; V106-L108 PolarHBondContact O-N 2.89Å; L108-N110 VanDerWaalsContact C-N 3.3Å; L108-N110 PolarHBondContact O-N 3.4Å; L108-V111 WeakPolarHBondContact O-CB 3.49Å; L108-V111 PolarHBondContact O-N 2.84Å; L108-I112 WeakPolarHBondContact O-CG1 2.9Å; L108-I112 PolarHBondContact O-N 3.48Å
109N89.7Confident87.2Confident5 Ų571 Ų713%0.02733%0.326CS..Hα-helixtrans-62.2-39.4174.5-79.4-73.5000111.6W92 K93 R105 V106 V111 I112 W113W92-N109 WeakPolarHBondContact CA-OD1 3.44Å; W92-N109 HydrophobicContact CD2-CB 3.99Å; W92-N109 HydrophobicContact CE3-CB 3.63Å; W92-N109 HydrophobicContact CH2-CB 3.73Å; W92-N109 HydrophobicContact CZ2-CB 4.07Å; W92-N109 HydrophobicContact CZ3-CB 3.49Å; W92-N109 VanDerWaalsContact CZ3-CB 3.49Å; K93-N109 PolarHBondContact N-OD1 2.85Å; K93-N109 PolarHBondContact O-ND2 3.47Å; K93-N109 PolarHBondContact O-OD1 3.35Å; R105-N109 PolarHBondContact O-N 2.95Å; R105-N109 PolarHBondContact O-ND2 2.96Å; V106-N109 PolarHBondContact O-N 3.3Å; N109-V111 VanDerWaalsContact C-N 3.35Å; N109-V111 PolarHBondContact O-N 2.87Å; N109-I112 PolarHBondContact O-N 2.87Å; N109-W113 PolarHBondContact O-N 3.48Å
110N90.1Very high87.4Confident74 Ų7466.7 Ų66.740%0.39630%0.299SS..Hα-helixtrans-61.5-41.9173.8-75.8-43000111.9V106 R107 L108 W113 R114V106-N110 WeakPolarHBondContact O-CB 3.41Å; V106-N110 PolarHBondContact O-N 3.05Å; V106-N110 PolarHBondContact O-ND2 3.43Å; R107-N110 WeakPolarHBondContact O-CB 3.49Å; R107-N110 PolarHBondContact O-N 3.34Å; L108-N110 VanDerWaalsContact C-N 3.3Å; L108-N110 PolarHBondContact O-N 3.4Å; N110-W113 PolarHBondContact O-N 3.25Å; N110-R114 WeakPolarHBondContact O-CG 3.33Å; N110-R114 PolarHBondContact O-N 2.98Å
111V86.9Confident87.5Confident40 Ų4069.9 Ų69.924%0.24232%0.319CS..Hα-helixtrans-61.5-45.4175.4169.90000111.2I78 R107 L108 N109 W113 R114 A115I78-V111 HydrophobicContact CD1-CG1 4.13Å; R107-V111 WeakPolarHBondContact O-CG2 3.43Å; R107-V111 PolarHBondContact O-N 3Å; L108-V111 WeakPolarHBondContact O-CB 3.49Å; L108-V111 PolarHBondContact O-N 2.84Å; N109-V111 VanDerWaalsContact C-N 3.35Å; N109-V111 PolarHBondContact O-N 2.87Å; V111-W113 VanDerWaalsContact C-N 3.31Å; V111-W113 PolarHBondContact O-N 3.12Å; V111-R114 PolarHBondContact O-N 2.82Å; V111-A115 WeakPolarHBondContact O-CB 3.45Å; V111-A115 PolarHBondContact O-N 2.89Å
112I88.1Confident87.6Confident1 Ų173.6 Ų73.61%0.00532%0.32CS..Hα-helixtrans-58-45176.1-70.5171000110.8I78 Y82 L87 F95 L108 N109 A115 W116 F131I78-I112 HydrophobicContact CD1-CG1 4.48Å; Y82-I112 HydrophobicContact CE2-CD1 4.36Å; L87-I112 HydrophobicContact CD1-CB 4.5Å; L87-I112 HydrophobicContact CD1-CG1 4.14Å; L87-I112 HydrophobicContact CD1-CG2 4.07Å; F95-I112 HydrophobicContact CZ-CD1 3.8Å; L108-I112 WeakPolarHBondContact O-CG1 2.9Å; L108-I112 PolarHBondContact O-N 3.48Å; N109-I112 PolarHBondContact O-N 2.87Å; I112-A115 PolarHBondContact O-N 2.96Å; I112-W116 PolarHBondContact O-N 3.4Å; I112-F131 HydrophobicContact CG2-CZ 3.93Å
113W90.9Very high87.5Confident100 Ų10069.2 Ų69.238%0.37932%0.323SS..Hα-helixtrans-65.2-43.6179.2-136.4109.3000111.8N109 N110 V111 A115 W116 F117N109-W113 PolarHBondContact O-N 3.48Å; N110-W113 PolarHBondContact O-N 3.25Å; V111-W113 VanDerWaalsContact C-N 3.31Å; V111-W113 PolarHBondContact O-N 3.12Å; W113-A115 VanDerWaalsContact C-N 3.33Å; W113-A115 PolarHBondContact O-N 3.42Å; W113-W116 HydrophobicContact CE3-CE3 4.01Å; W113-W116 AromaticContact CH2-CE3 3.77Å; W113-W116 HydrophobicContact CH2-CE3 3.77Å; W113-W116 AromaticContact CH2-CZ3 3.51Å; W113-W116 HydrophobicContact CH2-CZ3 3.51Å; W113-W116 HydrophobicContact CZ2-CE3 4.38Å; W113-W116 HydrophobicContact CZ2-CZ3 4.31Å; W113-W116 AromaticContact CZ3-CE3 3.57Å; W113-W116 HydrophobicContact CZ3-CE3 3.57Å; W113-W116 AromaticContact CZ3-CZ3 3.65Å; W113-W116 HydrophobicContact CZ3-CZ3 3.65Å; W113-W116 WeakPolarHBondContact O-CB 3.47Å; W113-W116 PolarHBondContact O-N 3.45Å; W113-F117 HydrophobicContact CE3-CB 4.14Å; W113-F117 HydrophobicContact CZ3-CB 4.04Å; W113-F117 HydrophobicContact CZ3-CD2 4.12Å; W113-F117 WeakPolarHBondContact O-CB 3.35Å; W113-F117 PolarHBondContact O-N 3.25Å
114R88.9Confident87.5Confident179 Ų17965.3 Ų65.368%0.67531%0.312SS*.Hα-helixtrans-63.5-39.1176.1-69.5-169.784.7830.7112.1N110 V111 W116 F117 L118N110-R114 WeakPolarHBondContact O-CG 3.33Å; N110-R114 PolarHBondContact O-N 2.98Å; V111-R114 PolarHBondContact O-N 2.82Å; R114-W116 VanDerWaalsContact C-N 3.34Å; R114-F117 PolarHBondContact O-N 3.26Å; R114-L118 WeakPolarHBondContact O-CB 3.43Å; R114-L118 WeakPolarHBondContact O-CD1 3.44Å; R114-L118 WeakPolarHBondContact O-CG 3.49Å; R114-L118 PolarHBondContact O-N 2.9Å
115A86.7Confident87.2Confident6 Ų668 Ų685%0.0533%0.331CS..Hα-helixtrans-62.7-42.7175.300000111.4V111 I112 W113 L118 Q119 P126 C129 F131V111-A115 WeakPolarHBondContact O-CB 3.45Å; V111-A115 PolarHBondContact O-N 2.89Å; I112-A115 PolarHBondContact O-N 2.96Å; W113-A115 VanDerWaalsContact C-N 3.33Å; W113-A115 PolarHBondContact O-N 3.42Å; A115-L118 PolarHBondContact O-N 3.07Å; A115-Q119 WeakPolarHBondContact O-CB 3.49Å; A115-Q119 PolarHBondContact O-N 2.89Å; A115-P126 HydrophobicContact CB-CB 3.87Å; A115-P126 HydrophobicContact CB-CG 4.26Å; A115-C129 HydrophobicContact CB-CB 4.46Å; A115-F131 HydrophobicContact CB-CE2 4.1Å
116W88.2Confident86.8Confident71 Ų7164.6 Ų64.627%0.26932%0.319SS..Hα-helixtrans-61.4-48.6175.6-179.884.4000111.4P90 I112 W113 R114 L118 Q119 F120 V121 F131P90-W116 HydrophobicContact CB-CB 3.93Å; P90-W116 HydrophobicContact CB-CD2 4.29Å; P90-W116 HydrophobicContact CB-CG 3.65Å; P90-W116 HydrophobicContact CG-CD2 4.35Å; P90-W116 HydrophobicContact CG-CG 3.99Å; I112-W116 PolarHBondContact O-N 3.4Å; W113-W116 HydrophobicContact CE3-CE3 4.01Å; W113-W116 AromaticContact CH2-CE3 3.77Å; W113-W116 HydrophobicContact CH2-CE3 3.77Å; W113-W116 AromaticContact CH2-CZ3 3.51Å; W113-W116 HydrophobicContact CH2-CZ3 3.51Å; W113-W116 HydrophobicContact CZ2-CE3 4.38Å; W113-W116 HydrophobicContact CZ2-CZ3 4.31Å; W113-W116 AromaticContact CZ3-CE3 3.57Å; W113-W116 HydrophobicContact CZ3-CE3 3.57Å; W113-W116 AromaticContact CZ3-CZ3 3.65Å; W113-W116 HydrophobicContact CZ3-CZ3 3.65Å; W113-W116 WeakPolarHBondContact O-CB 3.47Å; W113-W116 PolarHBondContact O-N 3.45Å; R114-W116 VanDerWaalsContact C-N 3.34Å; W116-L118 PolarHBondContact O-N 3.45Å; W116-Q119 PolarHBondContact O-N 3.42Å; W116-F120 AromaticContact CD1-CD2 3.3Å; W116-F120 AromaticContact CD1-CE2 3.55Å; W116-F120 HydrophobicContact CD2-CD2 4.27Å; W116-F120 AromaticContact CE2-CD2 3.92Å; W116-F120 AromaticContact CG-CD2 3.91Å; W116-F120 HydrophobicContact CG-CD2 3.91Å; W116-F120 HydrophobicContact CG-CE2 4.47Å; W116-F120 HydrophobicContact CZ2-CB 4.35Å; W116-F120 AromaticContact NE1-CD2 3.29Å; W116-F120 VanDerWaalsContact NE1-CD2 3.29Å; W116-F120 AromaticContact NE1-CE2 3.71Å; W116-F120 AromaticContact NE1-CG 3.99Å; W116-F120 WeakPolarHBondContact O-CD2 3.23Å; W116-F120 PolarHBondContact O-N 3.25Å; W116-V121 HydrophobicContact CH2-CG2 4.27Å; W116-V121 HydrophobicContact CZ3-CG2 3.98Å; W116-F131 VanDerWaalsContact CA-CE2 3.42Å; W116-F131 HydrophobicContact CB-CD2 4.2Å; W116-F131 HydrophobicContact CB-CE1 4.5Å; W116-F131 HydrophobicContact CB-CE2 3.51Å; W116-F131 HydrophobicContact CB-CZ 3.67Å; W116-F131 HydrophobicContact CG-CE2 4.38Å; W116-F131 HydrophobicContact CG-CZ 4.32Å; W116-F131 VanDerWaalsContact N-CE2 3.3Å
117F87.7Confident86.3Confident75 Ų7571.6 Ų71.633%0.32935%0.347SS..Hα-helixtrans-61.3-43.7179-177.9-94.2000112.1W113 R114 Q119 V121 R122W113-F117 HydrophobicContact CE3-CB 4.14Å; W113-F117 HydrophobicContact CZ3-CB 4.04Å; W113-F117 HydrophobicContact CZ3-CD2 4.12Å; W113-F117 WeakPolarHBondContact O-CB 3.35Å; W113-F117 PolarHBondContact O-N 3.25Å; R114-F117 PolarHBondContact O-N 3.26Å; F117-Q119 VanDerWaalsContact C-N 3.33Å; F117-Q119 PolarHBondContact O-N 2.92Å; F117-V121 HydrophobicContact CD2-CB 3.73Å; F117-V121 HydrophobicContact CD2-CG1 4.12Å; F117-V121 HydrophobicContact CD2-CG2 3.57Å; F117-V121 HydrophobicContact CE2-CB 3.72Å; F117-V121 HydrophobicContact CE2-CG1 3.56Å; F117-V121 HydrophobicContact CE2-CG2 3.87Å; F117-V121 HydrophobicContact CG-CB 4.19Å; F117-V121 HydrophobicContact CG-CG2 4.27Å; F117-V121 HydrophobicContact CZ-CB 4.16Å; F117-V121 HydrophobicContact CZ-CG1 3.85Å; F117-V121 WeakPolarHBondContact O-CA 3.37Å; F117-V121 VanDerWaalsContact O-CB 3.24Å; F117-V121 WeakPolarHBondContact O-CB 3.16Å; F117-V121 PolarHBondContact O-N 2.92Å; F117-R122 HydrophobicContact CD1-CG 4.33Å; F117-R122 HydrophobicContact CE1-CG 3.86Å; F117-R122 PolarHBondContact O-N 3.05Å
118L88Confident85.6Confident50 Ų5072.4 Ų72.426%0.26235%0.351SS..Hα-helixtrans-58.6-46.6176.1-82.5160.5000111.2R114 A115 W116 R122 G123 V124R114-L118 WeakPolarHBondContact O-CB 3.43Å; R114-L118 WeakPolarHBondContact O-CD1 3.44Å; R114-L118 WeakPolarHBondContact O-CG 3.49Å; R114-L118 PolarHBondContact O-N 2.9Å; A115-L118 PolarHBondContact O-N 3.07Å; W116-L118 PolarHBondContact O-N 3.45Å; L118-R122 CarbonylContact O-C 3.43Å; L118-R122 WeakPolarHBondContact O-CB 3.45Å; L118-R122 PolarHBondContact O-N 3.24Å; L118-G123 PolarHBondContact O-N 2.81Å; L118-V124 CarbonylContact C-O 3.23Å; L118-V124 VanDerWaalsContact C-O 3.23Å; L118-V124 HydrophobicContact CD2-CB 4.33Å; L118-V124 PolarHBondContact O-N 2.83Å; L118-V124 VanDerWaalsContact O-O 3.1Å
119Q86.4Confident85Confident50 Ų5072.3 Ų72.323%0.23435%0.35CS..Hα-helixtrans-73.6-45.4-175.3-172.5168.2-17.600113.4A115 W116 F117 G123 F131A115-Q119 WeakPolarHBondContact O-CB 3.49Å; A115-Q119 PolarHBondContact O-N 2.89Å; W116-Q119 PolarHBondContact O-N 3.42Å; F117-Q119 VanDerWaalsContact C-N 3.33Å; F117-Q119 PolarHBondContact O-N 2.92Å; Q119-G123 WeakPolarHBondContact O-CA 3.37Å; Q119-F131 PolarHBondContact NE2-O 3.12Å
120F86.2Confident84.6Confident92 Ų9277.1 Ų77.140%0.40437%0.371SS..Hα-helixtrans-98.1-25.8-171.1-68-75.3000114.3W116 F131 I133W116-F120 AromaticContact CD1-CD2 3.3Å; W116-F120 AromaticContact CD1-CE2 3.55Å; W116-F120 HydrophobicContact CD2-CD2 4.27Å; W116-F120 AromaticContact CE2-CD2 3.92Å; W116-F120 AromaticContact CG-CD2 3.91Å; W116-F120 HydrophobicContact CG-CD2 3.91Å; W116-F120 HydrophobicContact CG-CE2 4.47Å; W116-F120 HydrophobicContact CZ2-CB 4.35Å; W116-F120 AromaticContact NE1-CD2 3.29Å; W116-F120 VanDerWaalsContact NE1-CD2 3.29Å; W116-F120 AromaticContact NE1-CE2 3.71Å; W116-F120 AromaticContact NE1-CG 3.99Å; W116-F120 WeakPolarHBondContact O-CD2 3.23Å; W116-F120 PolarHBondContact O-N 3.25Å; F120-F131 HydrophobicContact CE2-CB 3.61Å; F120-F131 HydrophobicContact CE2-CD1 4.36Å; F120-F131 HydrophobicContact CE2-CD2 4.36Å; F120-F131 AromaticContact CE2-CG 3.85Å; F120-F131 HydrophobicContact CE2-CG 3.85Å; F120-F131 HydrophobicContact CZ-CB 3.98Å; F120-I133 HydrophobicContact CE1-CD1 4.07Å; F120-I133 HydrophobicContact CE1-CG1 4.18Å; F120-I133 HydrophobicContact CZ-CG1 4.15Å
121V85.5Confident84.2Confident83 Ų8374 Ų7450%0.50335%0.354SS..THydrogen-bonded Turntrans-100.7-44.8180-173.30000111.2W116 F117W116-V121 HydrophobicContact CH2-CG2 4.27Å; W116-V121 HydrophobicContact CZ3-CG2 3.98Å; F117-V121 HydrophobicContact CD2-CB 3.73Å; F117-V121 HydrophobicContact CD2-CG1 4.12Å; F117-V121 HydrophobicContact CD2-CG2 3.57Å; F117-V121 HydrophobicContact CE2-CB 3.72Å; F117-V121 HydrophobicContact CE2-CG1 3.56Å; F117-V121 HydrophobicContact CE2-CG2 3.87Å; F117-V121 HydrophobicContact CG-CB 4.19Å; F117-V121 HydrophobicContact CG-CG2 4.27Å; F117-V121 HydrophobicContact CZ-CB 4.16Å; F117-V121 HydrophobicContact CZ-CG1 3.85Å; F117-V121 WeakPolarHBondContact O-CA 3.37Å; F117-V121 VanDerWaalsContact O-CB 3.24Å; F117-V121 WeakPolarHBondContact O-CB 3.16Å; F117-V121 PolarHBondContact O-N 2.92Å
122R86.7Confident83.8Confident138 Ų13873.6 Ų73.652%0.52135%0.353SS..SBendtrans-90.3-15.3178.2-68.3-174.8168-175.5-1.8113.9F117 L118 V124F117-R122 HydrophobicContact CD1-CG 4.33Å; F117-R122 HydrophobicContact CE1-CG 3.86Å; F117-R122 PolarHBondContact O-N 3.05Å; L118-R122 CarbonylContact O-C 3.43Å; L118-R122 WeakPolarHBondContact O-CB 3.45Å; L118-R122 PolarHBondContact O-N 3.24Å; R122-V124 HydrophobicContact CB-CG2 4.26Å; R122-V124 PolarHBondContact O-N 3.19Å
123G83.6Confident82.9Confident61 Ų6179.1 Ų79.163%0.62938%0.382SS*.  trans65.417.5-175.700000114.1L118 Q119L118-G123 PolarHBondContact O-N 2.81Å; Q119-G123 WeakPolarHBondContact O-CA 3.37Å
124V86.2Confident81.6Confident74 Ų7478.1 Ų78.145%0.44839%0.388SS..PPolyproline II helixtrans-101.2131-179.1177.50000109L118 R122 P126L118-V124 CarbonylContact C-O 3.23Å; L118-V124 VanDerWaalsContact C-O 3.23Å; L118-V124 HydrophobicContact CD2-CB 4.33Å; L118-V124 PolarHBondContact O-N 2.83Å; L118-V124 VanDerWaalsContact O-O 3.1Å; R122-V124 HydrophobicContact CB-CG2 4.26Å; R122-V124 PolarHBondContact O-N 3.19Å; V124-P126 WeakPolarHBondContact O-CD 3.46Å
125P79.4Confident80.1Confident95 Ų9578.4 Ų78.462%0.61740%0.397SS*.PPolyproline II helixtrans-62.7125.2177.124.2-32.6000110.7F130P125-F130 HydrophobicContact CB-CE1 4.17Å
126P79.3Confident78.1Confident6 Ų685.5 Ų85.54%0.03943%0.429CS..PPolyproline II helixtrans-66.8151.7175.227.8-35.3000111.2A115 V124 C129 F130A115-P126 HydrophobicContact CB-CB 3.87Å; A115-P126 HydrophobicContact CB-CG 4.26Å; V124-P126 WeakPolarHBondContact O-CD 3.46Å; P126-C129 WeakPolarHBondContact CB-O 3.45Å; P126-C129 WeakPolarHBondContact CG-O 3.4Å; P126-F130 HydrophobicContact CG-CD1 3.94Å; P126-F130 HydrophobicContact CG-CE1 4.42Å; P126-F130 HydrophobicContact CG-CG 4.46Å; P126-F130 WeakPolarHBondContact O-CE1 3.38Å; P126-F130 WeakPolarHBondContact O-CZ 3.48Å
127K78Confident76.1Confident179 Ų17988.9 Ų88.978%0.77845%0.452SS*.SBendtrans-83.1-27.9-174.2-65.2-176.4-179.4-178.60115.1
128Y72.9Confident74.1Confident139 Ų13993.2 Ų93.255%0.54548%0.475SS..SBendtrans-116.4-20.3-165.8-55-70.1000113.9
129C76.3Confident72.4Confident1 Ų196.3 Ų96.31%0.00749%0.492CS..  trans-159.2125.4-174.3-155.10000109.9I78 G85 L87 A115 P126I78-C129 HydrophobicContact CG2-CB 4.32Å; I78-C129 WeakPolarHBondContact CG2-SG 3.39Å; G85-C129 PolarHBondContact O-SG 3.04Å; L87-C129 HydrophobicContact CD1-CB 4.12Å; L87-C129 WeakPolarHBondContact CD1-SG 3.24Å; L87-C129 WeakPolarHBondContact CG-SG 3.46Å; A115-C129 HydrophobicContact CB-CB 4.46Å; P126-C129 WeakPolarHBondContact CB-O 3.45Å; P126-C129 WeakPolarHBondContact CG-O 3.4Å
130F80.8Confident70.3Confident105 Ų105101.2 Ų101.246%0.46151%0.514SS..EExtended strand (participates in β ladder)trans-109.1141.6-176.3-56.6-91.4000109.9G85 L87 P125 P126G85-F130 PolarHBondContact O-N 3.36Å; L87-F130 PolarHBondContact N-O 3.43Å; P125-F130 HydrophobicContact CB-CE1 4.17Å; P126-F130 HydrophobicContact CG-CD1 3.94Å; P126-F130 HydrophobicContact CG-CE1 4.42Å; P126-F130 HydrophobicContact CG-CG 4.46Å; P126-F130 WeakPolarHBondContact O-CE1 3.38Å; P126-F130 WeakPolarHBondContact O-CZ 3.48Å
131F82.5Confident68Low9 Ų9106.2 Ų106.24%0.03954%0.536CS..EExtended strand (participates in β ladder)trans-83.3118.9166.1-73.5-96.2000109L87 T89 P90 I112 A115 W116 Q119 F120L87-F131 HydrophobicContact CB-CD1 3.56Å; L87-F131 HydrophobicContact CB-CD2 4.32Å; L87-F131 HydrophobicContact CB-CE1 3.54Å; L87-F131 HydrophobicContact CB-CE2 4.28Å; L87-F131 HydrophobicContact CB-CG 3.97Å; L87-F131 HydrophobicContact CB-CZ 3.93Å; L87-F131 HydrophobicContact CD1-CD2 4.22Å; L87-F131 HydrophobicContact CD1-CE1 4.02Å; L87-F131 HydrophobicContact CD1-CE2 3.59Å; L87-F131 HydrophobicContact CD1-CZ 3.51Å; L87-F131 HydrophobicContact CG-CE1 4.44Å; L87-F131 HydrophobicContact CG-CZ 4.39Å; L87-F131 CarbonylContact O-C 3.49Å; L87-F131 WeakPolarHBondContact O-CA 3.34Å; L87-F131 WeakPolarHBondContact O-CD1 3.42Å; T89-F131 VanDerWaalsContact C-CE1 3.5Å; P90-F131 HydrophobicContact CB-CE1 4.27Å; P90-F131 HydrophobicContact CB-CZ 4.17Å; I112-F131 HydrophobicContact CG2-CZ 3.93Å; A115-F131 HydrophobicContact CB-CE2 4.1Å; W116-F131 VanDerWaalsContact CA-CE2 3.42Å; W116-F131 HydrophobicContact CB-CD2 4.2Å; W116-F131 HydrophobicContact CB-CE1 4.5Å; W116-F131 HydrophobicContact CB-CE2 3.51Å; W116-F131 HydrophobicContact CB-CZ 3.67Å; W116-F131 HydrophobicContact CG-CE2 4.38Å; W116-F131 HydrophobicContact CG-CZ 4.32Å; W116-F131 VanDerWaalsContact N-CE2 3.3Å; Q119-F131 PolarHBondContact NE2-O 3.12Å; F120-F131 HydrophobicContact CE2-CB 3.61Å; F120-F131 HydrophobicContact CE2-CD1 4.36Å; F120-F131 HydrophobicContact CE2-CD2 4.36Å; F120-F131 AromaticContact CE2-CG 3.85Å; F120-F131 HydrophobicContact CE2-CG 3.85Å; F120-F131 HydrophobicContact CZ-CB 3.98Å
132S76.9Confident66Low32 Ų32108.3 Ų108.322%0.22455%0.551CS.*PPolyproline II helixtrans-87.8117163.649.30000107L87 Y88L87-S132 PolarHBondContact O-N 2.97Å; Y88-S132 VanDerWaalsContact CD1-O 3.23Å; Y88-S132 WeakPolarHBondContact CD1-O 3.46Å; Y88-S132 VanDerWaalsContact CE1-OG 3.24Å; Y88-S132 WeakPolarHBondContact CE1-OG 3.27Å
133I69.3Low64Low117 Ų117104.3 Ų104.360%0.655%0.553SS**PPolyproline II helixtrans-65.1127.3158.1-56.5170.1000104.3F120 E135F120-I133 HydrophobicContact CE1-CD1 4.07Å; F120-I133 HydrophobicContact CE1-CG1 4.18Å; F120-I133 HydrophobicContact CZ-CG1 4.15Å; I133-E135 PolarHBondContact O-N 2.71Å
134P64.2Low61.9Low79 Ų79113.2 Ų113.251%0.51357%0.568SS.*  trans-51.5112.4173.4-21.330.4000108.4Y88 E136Y88-P134 HydrophobicContact CD1-CG 3.68Å; Y88-P134 HydrophobicContact CE1-CB 4.45Å; Y88-P134 HydrophobicContact CE1-CG 3.96Å; P134-E136 VanDerWaalsContact C-N 3.3Å; P134-E136 PolarHBondContact O-N 3.25Å
135E57Low59.9Low184 Ų184115.2 Ų115.286%0.8657%0.574SS**  trans-65.396.6171.3-79.1172.9172.100106.4I133 D137I133-E135 PolarHBondContact O-N 2.71Å; E135-D137 VanDerWaalsContact C-N 3.28Å; E135-D137 PolarHBondContact O-N 3.4Å
136E45.4Very low58.1Low156 Ų156121.4 Ų121.473%0.72959%0.591SS**SBendtrans46.926.9155.8-55.7-166.617300120.1P134 M138 L139P134-E136 VanDerWaalsContact C-N 3.3Å; P134-E136 PolarHBondContact O-N 3.25Å; E136-M138 PolarHBondContact O-N 3.22Å; E136-L139 PolarHBondContact O-N 3.04Å
137D45.4Very low56.5Low142 Ų142124 Ų12476%0.75962%0.619SS**THydrogen-bonded Turntrans-73.425.9166.7-103.1-7.7000113.7E135 L139E135-D137 VanDerWaalsContact C-N 3.28Å; E135-D137 PolarHBondContact O-N 3.4Å; D137-L139 VanDerWaalsContact C-N 3.3Å
138M46.4Very low55.1Low165 Ų165119.7 Ų119.781%0.81361%0.605SS**THydrogen-bonded Turntrans-82-8.8166.3-62.7-6417600112.4E136E136-M138 PolarHBondContact O-N 3.22Å
139L51.5Low54Low115 Ų115117.2 Ų117.260%0.60260%0.604SS**SBendtrans-97.9-24.9-173-76.3160.6000115.3E136 D137E136-L139 PolarHBondContact O-N 3.04Å; D137-L139 VanDerWaalsContact C-N 3.3Å
140H43.3Very low52.9Low153 Ų153126.6 Ų126.671%0.70865%0.645SS**SBendtrans-14173.9-172.1-61.2-67.3000115.8
141K38Very low51Low197 Ų197129.8 Ų129.886%0.85766%0.659SS**  trans170.8105.8134.4-95.9158.4-176.6173.80111.9G143K141-G143 VanDerWaalsContact C-N 3.35Å; K141-G143 PolarHBondContact O-N 3.12Å; K141-G143 VanDerWaalsContact O-N 3.12Å
142P43.1Very low50Low127 Ų127135.1 Ų135.183%0.82568%0.679SS**  trans-81.984.2164.333.3-27.2000107.8
143G44.2Very low49.5Very low55 Ų55140.6 Ų140.657%0.56770%0.695SS**  trans-169.236.8-170.400000117.7K141K141-G143 VanDerWaalsContact C-N 3.35Å; K141-G143 PolarHBondContact O-N 3.12Å; K141-G143 VanDerWaalsContact O-N 3.12Å
144R39.4Very low49.8Very low248 Ų248140.7 Ų140.794%0.93670%0.701SS**  trans175.3105151.8-106173.3-116.3-141.4-0.4108.8
145M44Very low50.2Low116 Ų116143.5 Ų143.557%0.57171%0.707SS**  trans-143.872176.8-140.5-165.9-66.300109.8N148M145-N148 HydrophobicContact CG-CB 3.82Å; M145-N148 HydrophobicContact SD-CB 3.57Å; M145-N148 VanDerWaalsContact SD-CB 3.57Å; M145-N148 VanDerWaalsContact SD-O 3.36Å
146F43.1Very low51.2Low224 Ų224137.4 Ų137.498%0.98268%0.682SS**SBendtrans-86.495.5154.8-85.6-85.6000106.4
147G45.2Very low52.7Low61 Ų61133.7 Ų133.763%0.62967%0.67SS**SBendtrans149-27.4171.700000116.6
148N47.8Very low54.2Low89 Ų89129.2 Ų129.248%0.47665%0.653SS.*  trans-117.246.1-168-25.2-24000112.3M145 F150 F151M145-N148 HydrophobicContact CG-CB 3.82Å; M145-N148 HydrophobicContact SD-CB 3.57Å; M145-N148 VanDerWaalsContact SD-CB 3.57Å; M145-N148 VanDerWaalsContact SD-O 3.36Å; N148-F150 PolarHBondContact O-N 3.37Å; N148-F151 HydrophobicContact CB-CD2 4.18Å; N148-F151 PolarHBondContact O-N 3.26Å; N148-F151 VanDerWaalsContact O-N 3.12Å
149V49.7Very low55.7Low87 Ų87124.6 Ų124.653%0.52764%0.637SS.*THydrogen-bonded Turntrans-60.2-16.8-176.1-170.90000113.2
150F53.3Low57.2Low198 Ų198123.8 Ų123.887%0.86863%0.63SS**THydrogen-bonded Turntrans-85.3-13.2179.7-58.9-75000115N148 R152N148-F150 PolarHBondContact O-N 3.37Å; F150-R152 PolarHBondContact O-N 3.45Å
151F41.8Very low59.2Low171 Ų171121.9 Ų121.975%0.7562%0.617SS**  trans-100.358.7174.2-63.4-76.7000110.7N148N148-F151 HydrophobicContact CB-CD2 4.18Å; N148-F151 PolarHBondContact O-N 3.26Å; N148-F151 VanDerWaalsContact O-N 3.12Å
152R61.8Low61.4Low122 Ų122117.6 Ų117.646%0.4660%0.603SS.*  trans-74144168.4-69.9-177.5180171.61.4109F150 T154 V157F150-R152 PolarHBondContact O-N 3.45Å; R152-T154 PolarHBondContact O-N 3.41Å; R152-V157 HydrophobicContact CB-CG2 3.79Å
153R66.9Low63.4Low147 Ų147121.3 Ų121.356%0.55560%0.601SS**  trans-53.4136.1167-73.6-175.3-179.2160.7-1.3108.8E155 T156 V157R153-E155 PolarHBondContact O-N 2.89Å; R153-E155 VanDerWaalsContact O-N 3.14Å; R153-T156 WeakPolarHBondContact O-CB 3.39Å; R153-T156 PolarHBondContact O-N 3.25Å; R153-V157 PolarHBondContact O-N 3.37Å
154T73.8Confident65.3Low119 Ų119125.2 Ų125.273%0.7360%0.598SS**Hα-helixtrans-49.9-39.2177.547.80000111.4R152 T156 V157 A158R152-T154 PolarHBondContact O-N 3.41Å; T154-T156 PolarHBondContact O-N 3.24Å; T154-V157 PolarHBondContact O-N 3.05Å; T154-A158 WeakPolarHBondContact O-CB 3.37Å; T154-A158 PolarHBondContact O-N 2.87Å
155E73.6Confident67.4Low137 Ų137119.3 Ų119.364%0.6458%0.576SS**Hα-helixtrans-59.5-38.3174.6-61.5171.1171.900114R153 A158 S159R153-E155 PolarHBondContact O-N 2.89Å; R153-E155 VanDerWaalsContact O-N 3.14Å; E155-A158 PolarHBondContact O-N 2.86Å; E155-S159 WeakPolarHBondContact O-CB 3.39Å; E155-S159 PolarHBondContact O-N 3.49Å; E155-S159 PolarHBondContact O-OG 3.14Å
156T77Confident69.1Low56 Ų56121.3 Ų121.334%0.34458%0.578SS.*Hα-helixtrans-70.5-39.5177.9-53.90000110.8R153 T154 S159 Q160R153-T156 WeakPolarHBondContact O-CB 3.39Å; R153-T156 PolarHBondContact O-N 3.25Å; T154-T156 PolarHBondContact O-N 3.24Å; T156-S159 WeakPolarHBondContact CA-OG 3.13Å; T156-S159 PolarHBondContact O-OG 3.5Å; T156-S159 VanDerWaalsContact O-OG 3.05Å; T156-Q160 WeakPolarHBondContact O-CB 3.43Å; T156-Q160 VanDerWaalsContact O-CG 3.31Å; T156-Q160 WeakPolarHBondContact O-CG 3.35Å; T156-Q160 PolarHBondContact O-N 2.86Å; T156-Q160 VanDerWaalsContact O-N 3.08Å
157V77Confident70.9Confident79 Ų79116.6 Ų116.648%0.47956%0.557SS.*Hα-helixtrans-65.9-44.7175.1-178.70000110.1R152 R153 T154 Q160 Y161R152-V157 HydrophobicContact CB-CG2 3.79Å; R153-V157 PolarHBondContact O-N 3.37Å; T154-V157 PolarHBondContact O-N 3.05Å; V157-Q160 PolarHBondContact O-N 2.95Å; V157-Y161 WeakPolarHBondContact O-CB 3.35Å; V157-Y161 PolarHBondContact O-N 2.92Å
158A78.3Confident72.3Confident47 Ų47118.4 Ų118.439%0.38855%0.545SS..Hα-helixtrans-61.3-48177.600000112.2T154 E155 Q160 Y161 L162T154-A158 WeakPolarHBondContact O-CB 3.37Å; T154-A158 PolarHBondContact O-N 2.87Å; E155-A158 PolarHBondContact O-N 2.86Å; A158-Q160 PolarHBondContact O-N 2.85Å; A158-Y161 WeakPolarHBondContact O-CB 3.31Å; A158-Y161 PolarHBondContact O-N 3.08Å; A158-L162 WeakPolarHBondContact O-CD1 3.44Å; A158-L162 PolarHBondContact O-N 3.16Å
159S77.4Confident73.6Confident69 Ų69118.8 Ų118.848%0.48355%0.551SS.*Hα-helixtrans-64.8-38.6178.753.20000113E155 T156 L162 R163E155-S159 WeakPolarHBondContact O-CB 3.39Å; E155-S159 PolarHBondContact O-N 3.49Å; E155-S159 PolarHBondContact O-OG 3.14Å; T156-S159 WeakPolarHBondContact CA-OG 3.13Å; T156-S159 PolarHBondContact O-OG 3.5Å; T156-S159 VanDerWaalsContact O-OG 3.05Å; S159-L162 PolarHBondContact O-N 3.47Å; S159-R163 WeakPolarHBondContact O-CB 3.33Å; S159-R163 PolarHBondContact O-N 3.42Å
160Q82.8Confident74.8Confident97 Ų97119.9 Ų119.945%0.45355%0.548SS..Hα-helixtrans-62.4-43.3171.5-74.6-178.120.400111.6T156 V157 A158 R163 W164T156-Q160 WeakPolarHBondContact O-CB 3.43Å; T156-Q160 VanDerWaalsContact O-CG 3.31Å; T156-Q160 WeakPolarHBondContact O-CG 3.35Å; T156-Q160 PolarHBondContact O-N 2.86Å; T156-Q160 VanDerWaalsContact O-N 3.08Å; V157-Q160 PolarHBondContact O-N 2.95Å; A158-Q160 PolarHBondContact O-N 2.85Å; Q160-R163 PolarHBondContact O-N 3.07Å; Q160-W164 WeakPolarHBondContact O-CB 3.41Å; Q160-W164 PolarHBondContact O-N 3.18Å
161Y84.4Confident75.5Confident113 Ų113117.2 Ų117.244%0.44353%0.533SS..Hα-helixtrans-61.9-46.1176.8-177.9-103.1000112.5V157 A158 R163 W164 R165V157-Y161 WeakPolarHBondContact O-CB 3.35Å; V157-Y161 PolarHBondContact O-N 2.92Å; A158-Y161 WeakPolarHBondContact O-CB 3.31Å; A158-Y161 PolarHBondContact O-N 3.08Å; Y161-R163 VanDerWaalsContact C-N 3.35Å; Y161-R163 PolarHBondContact O-N 3.34Å; Y161-W164 PolarHBondContact O-N 2.86Å; Y161-R165 HydrophobicContact CE1-CG 4.16Å; Y161-R165 PolarHBondContact O-N 3.06Å; Y161-R165 VanDerWaalsContact OH-CZ 3.26Å; Y161-R165 PolarHBondContact OH-NE 3.49Å; Y161-R165 PolarHBondContact OH-NH2 2.9Å
162L85.2Confident76.4Confident107 Ų107114.2 Ų114.256%0.5652%0.521SS*.Hα-helixtrans-62-42.5175.6-92.677.9000111.5A158 S159 W164 R165 R166A158-L162 WeakPolarHBondContact O-CD1 3.44Å; A158-L162 PolarHBondContact O-N 3.16Å; S159-L162 PolarHBondContact O-N 3.47Å; L162-W164 VanDerWaalsContact C-N 3.35Å; L162-R165 PolarHBondContact O-N 2.86Å; L162-R166 WeakPolarHBondContact O-CB 3.47Å; L162-R166 PolarHBondContact O-N 3.38Å
163R84.1Confident76.6Confident205 Ų205110.1 Ų110.177%0.77451%0.513SS*.Hα-helixtrans-63.8-41.1177-172.7169.9-176.6164.20.5111.6S159 Q160 Y161 R166 F167S159-R163 WeakPolarHBondContact O-CB 3.33Å; S159-R163 PolarHBondContact O-N 3.42Å; Q160-R163 PolarHBondContact O-N 3.07Å; Y161-R163 VanDerWaalsContact C-N 3.35Å; Y161-R163 PolarHBondContact O-N 3.34Å; R163-R166 PolarHBondContact O-N 3.45Å; R163-F167 WeakPolarHBondContact O-CB 3.33Å; R163-F167 PolarHBondContact O-N 3.35Å
164W84.9Confident76.3Confident137 Ų137111.8 Ų111.852%0.51952%0.519SS..Hα-helixtrans-63.9-50175.7-177.886.8000111.2Q160 Y161 L162 R166 F167 Y168Q160-W164 WeakPolarHBondContact O-CB 3.41Å; Q160-W164 PolarHBondContact O-N 3.18Å; Y161-W164 PolarHBondContact O-N 2.86Å; L162-W164 VanDerWaalsContact C-N 3.35Å; W164-R166 VanDerWaalsContact C-N 3.35Å; W164-R166 PolarHBondContact O-N 2.96Å; W164-F167 WeakPolarHBondContact O-CB 3.42Å; W164-F167 PolarHBondContact O-N 3.11Å; W164-F167 VanDerWaalsContact O-N 3.12Å; W164-Y168 AromaticContact CD1-CD2 3.86Å; W164-Y168 AromaticContact CD1-CE2 3.51Å; W164-Y168 AromaticContact CD2-CD2 3.9Å; W164-Y168 HydrophobicContact CD2-CD2 3.9Å; W164-Y168 HydrophobicContact CD2-CE2 4.12Å; W164-Y168 AromaticContact CE2-CD2 3.52Å; W164-Y168 AromaticContact CE2-CE2 3.35Å; W164-Y168 AromaticContact CE2-CZ 3.97Å; W164-Y168 HydrophobicContact CG-CD2 4.09Å; W164-Y168 HydrophobicContact CG-CE2 4.19Å; W164-Y168 AromaticContact CZ2-CD2 3.94Å; W164-Y168 HydrophobicContact CZ2-CD2 3.94Å; W164-Y168 HydrophobicContact CZ2-CE1 4.41Å; W164-Y168 AromaticContact CZ2-CE2 3.81Å; W164-Y168 HydrophobicContact CZ2-CE2 3.81Å; W164-Y168 HydrophobicContact CZ2-CG 4.35Å; W164-Y168 AromaticContact CZ2-CZ 4Å; W164-Y168 AromaticContact NE1-CD2 3.54Å; W164-Y168 AromaticContact NE1-CE2 2.97Å; W164-Y168 AromaticContact NE1-CZ 3.69Å; W164-Y168 WeakPolarHBondContact O-CD2 3.4Å; W164-Y168 PolarHBondContact O-N 3.14Å
165R84Confident75.7Confident124 Ų124113.2 Ų113.247%0.46852%0.518SS..Hα-helixtrans-55-49.5174.3-83.7-168.9169.3-123.24.3111.5Y161 L162 F167 Y168 T169Y161-R165 HydrophobicContact CE1-CG 4.16Å; Y161-R165 PolarHBondContact O-N 3.06Å; Y161-R165 VanDerWaalsContact OH-CZ 3.26Å; Y161-R165 PolarHBondContact OH-NE 3.49Å; Y161-R165 PolarHBondContact OH-NH2 2.9Å; L162-R165 PolarHBondContact O-N 2.86Å; R165-F167 VanDerWaalsContact C-N 3.29Å; R165-F167 PolarHBondContact O-N 3.29Å; R165-Y168 PolarHBondContact O-N 3.48Å; R165-T169 PolarHBondContact O-N 3.07Å; R165-T169 PolarHBondContact O-OG1 3.22Å
166R79.6Confident75Confident159 Ų159114.8 Ų114.860%0.652%0.523SS*.Hα-helixtrans-60.1-37.7178.9-163.9-179.7-74.6-156.3-1112.2L162 R163 W164 K170L162-R166 WeakPolarHBondContact O-CB 3.47Å; L162-R166 PolarHBondContact O-N 3.38Å; R163-R166 PolarHBondContact O-N 3.45Å; W164-R166 VanDerWaalsContact C-N 3.35Å; W164-R166 PolarHBondContact O-N 2.96Å; R166-K170 WeakPolarHBondContact O-CB 3.3Å; R166-K170 VanDerWaalsContact O-CG 3.3Å; R166-K170 WeakPolarHBondContact O-CG 3.4Å; R166-K170 PolarHBondContact O-N 2.98Å; R166-K170 VanDerWaalsContact O-N 3.13Å
167F80.9Confident73.9Confident124 Ų124115.9 Ų115.954%0.54453%0.525SS..Hα-helixtrans-66.2-46.9176.2176.1-96.7000112.5R163 W164 R165 K170 R171R163-F167 WeakPolarHBondContact O-CB 3.33Å; R163-F167 PolarHBondContact O-N 3.35Å; W164-F167 WeakPolarHBondContact O-CB 3.42Å; W164-F167 PolarHBondContact O-N 3.11Å; W164-F167 VanDerWaalsContact O-N 3.12Å; R165-F167 VanDerWaalsContact C-N 3.29Å; R165-F167 PolarHBondContact O-N 3.29Å; F167-K170 PolarHBondContact O-N 3.46Å; F167-R171 PolarHBondContact O-N 2.96Å
168Y74.4Confident73Confident100 Ų100115.9 Ų115.939%0.39253%0.526SS..Hα-helixtrans-69-41.6-179.6-85.7-97.4000112.1W164 R165 K170 R171 H172W164-Y168 AromaticContact CD1-CD2 3.86Å; W164-Y168 AromaticContact CD1-CE2 3.51Å; W164-Y168 AromaticContact CD2-CD2 3.9Å; W164-Y168 HydrophobicContact CD2-CD2 3.9Å; W164-Y168 HydrophobicContact CD2-CE2 4.12Å; W164-Y168 AromaticContact CE2-CD2 3.52Å; W164-Y168 AromaticContact CE2-CE2 3.35Å; W164-Y168 AromaticContact CE2-CZ 3.97Å; W164-Y168 HydrophobicContact CG-CD2 4.09Å; W164-Y168 HydrophobicContact CG-CE2 4.19Å; W164-Y168 AromaticContact CZ2-CD2 3.94Å; W164-Y168 HydrophobicContact CZ2-CD2 3.94Å; W164-Y168 HydrophobicContact CZ2-CE1 4.41Å; W164-Y168 AromaticContact CZ2-CE2 3.81Å; W164-Y168 HydrophobicContact CZ2-CE2 3.81Å; W164-Y168 HydrophobicContact CZ2-CG 4.35Å; W164-Y168 AromaticContact CZ2-CZ 4Å; W164-Y168 AromaticContact NE1-CD2 3.54Å; W164-Y168 AromaticContact NE1-CE2 2.97Å; W164-Y168 AromaticContact NE1-CZ 3.69Å; W164-Y168 WeakPolarHBondContact O-CD2 3.4Å; W164-Y168 PolarHBondContact O-N 3.14Å; R165-Y168 PolarHBondContact O-N 3.48Å; Y168-K170 VanDerWaalsContact C-N 3.34Å; Y168-K170 PolarHBondContact O-N 3.27Å; Y168-R171 WeakPolarHBondContact O-CB 3.26Å; Y168-R171 PolarHBondContact O-N 2.96Å; Y168-H172 PolarHBondContact O-CD2 3.13Å; Y168-H172 VanDerWaalsContact O-CD2 3.28Å; Y168-H172 PolarHBondContact O-N 3.12Å
169T74.6Confident72.1Confident96 Ų96120.1 Ų120.159%0.58954%0.542SS*.Hα-helixtrans-60.5-43.2174.8-51.80000111.2R165 R171 H172 A173R165-T169 PolarHBondContact O-N 3.07Å; R165-T169 PolarHBondContact O-OG1 3.22Å; T169-R171 VanDerWaalsContact C-N 3.28Å; T169-R171 PolarHBondContact O-N 3.05Å; T169-H172 PolarHBondContact O-N 3.19Å; T169-A173 WeakPolarHBondContact O-CB 3.22Å; T169-A173 PolarHBondContact O-N 2.79Å
170K75.5Confident71.1Confident110 Ų110121.6 Ų121.648%0.47855%0.548SS..Hα-helixtrans-61.1-35173.9-78.1-178.1-179.8-171.80112.6R166 F167 Y168 R174R166-K170 WeakPolarHBondContact O-CB 3.3Å; R166-K170 VanDerWaalsContact O-CG 3.3Å; R166-K170 WeakPolarHBondContact O-CG 3.4Å; R166-K170 PolarHBondContact O-N 2.98Å; R166-K170 VanDerWaalsContact O-N 3.13Å; F167-K170 PolarHBondContact O-N 3.46Å; Y168-K170 VanDerWaalsContact C-N 3.34Å; Y168-K170 PolarHBondContact O-N 3.27Å; K170-R174 VanDerWaalsContact O-CG 3.3Å; K170-R174 WeakPolarHBondContact O-CG 3.5Å; K170-R174 PolarHBondContact O-N 3.47Å
171R67.8Low69.9Low142 Ų142119.3 Ų119.354%0.53654%0.542SS..Hα-helixtrans-70.7-43.9177.2-171.7178.4177.2106-0.7111.8F167 Y168 T169 R174 Q175F167-R171 PolarHBondContact O-N 2.96Å; Y168-R171 WeakPolarHBondContact O-CB 3.26Å; Y168-R171 PolarHBondContact O-N 2.96Å; T169-R171 VanDerWaalsContact C-N 3.28Å; T169-R171 PolarHBondContact O-N 3.05Å; R171-R174 PolarHBondContact O-N 2.87Å; R171-Q175 PolarHBondContact O-N 2.97Å
172H61.2Low68.7Low109 Ų109116.2 Ų116.251%0.50553%0.533SS..Hα-helixtrans-66.6-41.5177.4-80.9-76.6000112.4Y168 T169 R174 Q175 K176Y168-H172 PolarHBondContact O-CD2 3.13Å; Y168-H172 VanDerWaalsContact O-CD2 3.28Å; Y168-H172 PolarHBondContact O-N 3.12Å; T169-H172 PolarHBondContact O-N 3.19Å; H172-R174 VanDerWaalsContact C-N 3.33Å; H172-R174 PolarHBondContact O-N 3.48Å; H172-Q175 PolarHBondContact O-N 3.35Å; H172-Q175 VanDerWaalsContact O-N 3.14Å; H172-K176 PolarHBondContact O-N 3.49Å; H172-K176 VanDerWaalsContact O-N 3.11Å
173A64.3Low67.5Low36 Ų36115.5 Ų115.530%0.29853%0.529SS..Hα-helixtrans-56-48.6174.900000110.9T169 Q175 K176 M177T169-A173 WeakPolarHBondContact O-CB 3.22Å; T169-A173 PolarHBondContact O-N 2.79Å; A173-Q175 PolarHBondContact O-N 3Å; A173-Q175 VanDerWaalsContact O-N 3.13Å; A173-K176 PolarHBondContact O-N 3.12Å; A173-K176 VanDerWaalsContact O-N 3.1Å; A173-M177 HydrophobicContact CB-CE 3.93Å; A173-M177 VanDerWaalsContact O-CG 3.24Å; A173-M177 WeakPolarHBondContact O-CG 3.39Å; A173-M177 PolarHBondContact O-N 2.83Å
174R61.2Low66.3Low181 Ų181111.5 Ų111.568%0.68352%0.519SS*.Hα-helixtrans-60.1-26.2179.2-72.8172.9-176.9167.21.3114.6K170 R171 H172K170-R174 VanDerWaalsContact O-CG 3.3Å; K170-R174 WeakPolarHBondContact O-CG 3.5Å; K170-R174 PolarHBondContact O-N 3.47Å; R171-R174 PolarHBondContact O-N 2.87Å; H172-R174 VanDerWaalsContact C-N 3.33Å; H172-R174 PolarHBondContact O-N 3.48Å
175Q61.4Low65.1Low149 Ų149109.5 Ų109.570%0.69652%0.517SS*.Hα-helixtrans-86.9-26.3177.6-69.7-162.4-13.600113.3R171 H172 A173R171-Q175 PolarHBondContact O-N 2.97Å; H172-Q175 PolarHBondContact O-N 3.35Å; H172-Q175 VanDerWaalsContact O-N 3.14Å; A173-Q175 PolarHBondContact O-N 3Å; A173-Q175 VanDerWaalsContact O-N 3.13Å
176K58.2Low64.1Low171 Ų171111.2 Ų111.274%0.74352%0.524SS*.Hα-helixtrans-95.1-16.3-179.3-70.1-172176.2-173.40114.3H172 A173 P178H172-K176 PolarHBondContact O-N 3.49Å; H172-K176 VanDerWaalsContact O-N 3.11Å; A173-K176 PolarHBondContact O-N 3.12Å; A173-K176 VanDerWaalsContact O-N 3.1Å; K176-P178 WeakPolarHBondContact O-CD 3.46Å
177M55.8Low63.1Low78 Ų78107.8 Ų107.838%0.38452%0.517SS..SBendtrans-67.4122.9179.5-69.6-47.4161.300110.7A173 C181 L182A173-M177 HydrophobicContact CB-CE 3.93Å; A173-M177 VanDerWaalsContact O-CG 3.24Å; A173-M177 WeakPolarHBondContact O-CG 3.39Å; A173-M177 PolarHBondContact O-N 2.83Å; M177-C181 HydrophobicContact CB-CB 4.37Å; M177-L182 HydrophobicContact CB-CD2 4.49Å; M177-L182 HydrophobicContact CB-CG 4.2Å
178P57.4Low62.1Low79 Ų79106.2 Ų106.251%0.51352%0.517SS..  trans-58.4148.5171.223.4-31.1000109.8K176 T180 C181 L182K176-P178 WeakPolarHBondContact O-CD 3.46Å; P178-T180 PolarHBondContact O-N 2.91Å; P178-C181 HydrophobicContact CG-CB 4.47Å; P178-C181 PolarHBondContact O-N 3.23Å; P178-L182 PolarHBondContact O-N 3.45Å
179L58.6Low61.4Low137 Ų137110.3 Ų110.372%0.71753%0.532SS*.Hα-helixtrans-48.8-32.8-176.8-101.178.1000112.9C181 L182 I183L179-C181 PolarHBondContact O-N 3.3Å; L179-L182 PolarHBondContact O-N 3.34Å; L179-I183 WeakPolarHBondContact O-CD1 3.31Å; L179-I183 VanDerWaalsContact O-CG1 3.24Å; L179-I183 WeakPolarHBondContact O-CG1 3.3Å; L179-I183 PolarHBondContact O-N 3.06Å
180T57.7Low60.4Low99 Ų99115.6 Ų115.661%0.60754%0.541SS*.Hα-helixtrans-58.7-41.6177.5520000112.8P178 I183 Q184P178-T180 PolarHBondContact O-N 2.91Å; T180-I183 PolarHBondContact O-N 3.05Å; T180-Q184 WeakPolarHBondContact O-CG 3.45Å; T180-Q184 PolarHBondContact O-N 2.92Å; T180-Q184 VanDerWaalsContact O-N 3.08Å
181C56.4Low59.5Low49 Ų49116.6 Ų116.633%0.33155%0.55SS.*Hα-helixtrans-75.7-35.9179.5-1590000111.6M177 P178 L179 I183 Q184 I185M177-C181 HydrophobicContact CB-CB 4.37Å; P178-C181 HydrophobicContact CG-CB 4.47Å; P178-C181 PolarHBondContact O-N 3.23Å; L179-C181 PolarHBondContact O-N 3.3Å; C181-I183 VanDerWaalsContact C-N 3.31Å; C181-I183 PolarHBondContact O-N 3.42Å; C181-Q184 PolarHBondContact O-N 3.32Å; C181-I185 WeakPolarHBondContact O-CG1 3.4Å; C181-I185 PolarHBondContact O-N 3.28Å
182L59.2Low58.5Low48 Ų48112.3 Ų112.325%0.25155%0.551SS.*Hα-helixtrans-64-34.7171.8-73173.8000112.6M177 P178 L179 R186M177-L182 HydrophobicContact CB-CD2 4.49Å; M177-L182 HydrophobicContact CB-CG 4.2Å; P178-L182 PolarHBondContact O-N 3.45Å; L179-L182 PolarHBondContact O-N 3.34Å; L182-R186 WeakPolarHBondContact O-CB 3.36Å; L182-R186 VanDerWaalsContact O-CG 3.31Å; L182-R186 WeakPolarHBondContact O-CG 3.48Å; L182-R186 PolarHBondContact O-N 3.33Å
183I60.4Low57.6Low93 Ų93113 Ų11348%0.47756%0.558SS.*Hα-helixtrans-67.8-48.2174.3-68161.6000109.9L179 T180 C181 I185 R186 L187L179-I183 WeakPolarHBondContact O-CD1 3.31Å; L179-I183 VanDerWaalsContact O-CG1 3.24Å; L179-I183 WeakPolarHBondContact O-CG1 3.3Å; L179-I183 PolarHBondContact O-N 3.06Å; T180-I183 PolarHBondContact O-N 3.05Å; C181-I183 VanDerWaalsContact C-N 3.31Å; C181-I183 PolarHBondContact O-N 3.42Å; I183-I185 PolarHBondContact O-N 3.3Å; I183-R186 CarbonylContact O-C 3.6Å; I183-R186 PolarHBondContact O-N 3.42Å; I183-R186 VanDerWaalsContact O-N 3.15Å; I183-L187 WeakPolarHBondContact O-CB 3.14Å; I183-L187 PolarHBondContact O-N 2.92Å
184Q57.8Low56.7Low121 Ų121118.7 Ų118.757%0.56558%0.583SS**Hα-helixtrans-56.7-47.8176.6-73.1-71.6-12.500111.9T180 C181 R186 L187 V188T180-Q184 WeakPolarHBondContact O-CG 3.45Å; T180-Q184 PolarHBondContact O-N 2.92Å; T180-Q184 VanDerWaalsContact O-N 3.08Å; C181-Q184 PolarHBondContact O-N 3.32Å; Q184-R186 PolarHBondContact O-N 2.92Å; Q184-L187 PolarHBondContact O-N 3.1Å; Q184-L187 VanDerWaalsContact O-N 3.11Å; Q184-V188 WeakPolarHBondContact O-CG2 3.36Å; Q184-V188 PolarHBondContact O-N 2.86Å
185I61.4Low55.7Low94 Ų94119.1 Ų119.148%0.48259%0.59SS.*Hα-helixtrans-62.4-41.2176.2-67.7168.2000111.5C181 I183 L187 R189C181-I185 WeakPolarHBondContact O-CG1 3.4Å; C181-I185 PolarHBondContact O-N 3.28Å; I183-I185 PolarHBondContact O-N 3.3Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.45Å; I185-R189 WeakPolarHBondContact O-CB 3.24Å; I185-R189 PolarHBondContact O-N 2.85Å
186R62.8Low54.5Low161 Ų161124.4 Ų124.461%0.60860%0.603SS**Hα-helixtrans-64.5-34.3175.1-80.1-175.4-177.2113.3-5.2112.1L182 I183 Q184 R190L182-R186 WeakPolarHBondContact O-CB 3.36Å; L182-R186 VanDerWaalsContact O-CG 3.31Å; L182-R186 WeakPolarHBondContact O-CG 3.48Å; L182-R186 PolarHBondContact O-N 3.33Å; I183-R186 CarbonylContact O-C 3.6Å; I183-R186 PolarHBondContact O-N 3.42Å; I183-R186 VanDerWaalsContact O-N 3.15Å; Q184-R186 PolarHBondContact O-N 2.92Å; R186-R190 WeakPolarHBondContact O-CB 3.48Å; R186-R190 WeakPolarHBondContact O-CG 3.38Å; R186-R190 PolarHBondContact O-N 2.86Å
187L58.9Low53.4Low86 Ų86121.4 Ų121.445%0.4560%0.603SS.*Hα-helixtrans-73-47.1179.7-140.8160.3000110.5I183 Q184 I185 R189 R190 I191I183-L187 WeakPolarHBondContact O-CB 3.14Å; I183-L187 PolarHBondContact O-N 2.92Å; Q184-L187 PolarHBondContact O-N 3.1Å; Q184-L187 VanDerWaalsContact O-N 3.11Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.45Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.4Å; L187-R190 WeakPolarHBondContact O-CB 3.23Å; L187-R190 PolarHBondContact O-N 2.87Å; L187-R190 VanDerWaalsContact O-N 3.1Å; L187-I191 HydrophobicContact CD2-CD1 3.55Å; L187-I191 HydrophobicContact CD2-CG1 4.17Å; L187-I191 WeakPolarHBondContact O-CG1 3.37Å; L187-I191 PolarHBondContact O-N 3.19Å
188V59.2Low52.9Low92 Ų92128.4 Ų128.456%0.55863%0.627SS**Hα-helixtrans-59.2-41.7171.7174.90000110.9Q184 I191 G192Q184-V188 WeakPolarHBondContact O-CG2 3.36Å; Q184-V188 PolarHBondContact O-N 2.86Å; V188-I191 PolarHBondContact O-N 3.38Å; V188-G192 PolarHBondContact O-N 2.84Å
189R58.4Low51.9Low185 Ų185131.1 Ų131.170%0.69864%0.637SS**Hα-helixtrans-70.1-28.9176.1-170.3178.4161.490.63.3113.1I185 L187 N193I185-R189 WeakPolarHBondContact O-CB 3.24Å; I185-R189 PolarHBondContact O-N 2.85Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.4Å; R189-N193 VanDerWaalsContact O-CG 3.31Å; R189-N193 PolarHBondContact O-ND2 3.45Å; R189-N193 PolarHBondContact O-OD1 3.16Å
190R54.1Low51Low207 Ų207129.9 Ų129.978%0.78163%0.632SS**Hα-helixtrans-70.6-39.8171.3-89.4-172.8178.3177.8-0111.5R186 L187R186-R190 WeakPolarHBondContact O-CB 3.48Å; R186-R190 WeakPolarHBondContact O-CG 3.38Å; R186-R190 PolarHBondContact O-N 2.86Å; L187-R190 WeakPolarHBondContact O-CB 3.23Å; L187-R190 PolarHBondContact O-N 2.87Å; L187-R190 VanDerWaalsContact O-N 3.1Å
191I56.8Low50.2Low131 Ų131132.2 Ų132.267%0.67264%0.635SS**Hα-helixtrans-72.7-40.9178.3-65171000110.7L187 V188 N193L187-I191 HydrophobicContact CD2-CD1 3.55Å; L187-I191 HydrophobicContact CD2-CG1 4.17Å; L187-I191 WeakPolarHBondContact O-CG1 3.37Å; L187-I191 PolarHBondContact O-N 3.19Å; V188-I191 PolarHBondContact O-N 3.38Å; I191-N193 VanDerWaalsContact C-N 3.26Å; I191-N193 PolarHBondContact O-N 3.42Å
192G46.6Very low49.2Very low53 Ų53136.3 Ų136.355%0.54665%0.654SS.*THydrogen-bonded Turntrans-79.914.6-176.600000116.2V188 L194V188-G192 PolarHBondContact O-N 2.84Å; G192-L194 PolarHBondContact O-N 3.06Å
193N43.6Very low48.4Very low124 Ų124140.8 Ų140.866%0.66368%0.677SS**  trans-72.710.3177-82.1-29000114.1R189 I191R189-N193 VanDerWaalsContact O-CG 3.31Å; R189-N193 PolarHBondContact O-ND2 3.45Å; R189-N193 PolarHBondContact O-OD1 3.16Å; I191-N193 VanDerWaalsContact C-N 3.26Å; I191-N193 PolarHBondContact O-N 3.42Å
194L45.4Very low47.3Very low155 Ų155145.8 Ų145.881%0.81270%0.696SS**SBendtrans-110.6117.6172.8-163.764.8000109.2G192G192-L194 PolarHBondContact O-N 3.06Å
195K38.6Very low46.1Very low190 Ų190146 Ų14683%0.82671%0.705SS**  trans83.478.9-178.5-64.7176.4173.61760116.3S197K195-S197 PolarHBondContact O-N 3.47Å; K195-S197 VanDerWaalsContact O-N 3.16Å
196R36.3Very low44.9Very low260 Ų260148.2 Ų148.298%0.98172%0.717SS**  trans-55.3106.9141.3-81176166.1179.3-4.3108.2
197S36.6Very low43.6Very low107 Ų107146.1 Ų146.175%0.74872%0.724SS**  trans-133.7133.2157.8-167.70000107.9K195 D199K195-S197 PolarHBondContact O-N 3.47Å; K195-S197 VanDerWaalsContact O-N 3.16Å; S197-D199 PolarHBondContact O-N 3.46Å
198Y44Very low42.4Very low225 Ų225153.2 Ų153.288%0.88275%0.747SS**SBendtrans-53.1105.3174.3-103.2-113000109.6
199D36.1Very low41.2Very low136 Ų136153.9 Ų153.973%0.72776%0.756SS**  trans171.1101.4139.5-94.8-44.3000107.4S197 H201S197-D199 PolarHBondContact O-N 3.46Å; D199-H201 PolarHBondContact O-N 3.29Å
200D39.9Very low40Very low112 Ų112151.6 Ų151.660%0.59976%0.762SS**  trans-84.863.8-179.9-173.147.9000109.1
201H40.6Very low38.9Very low148 Ų148145 Ų14569%0.68576%0.759SS**  trans-123.4127.2163.1-63.5-77.9000105.3D199D199-H201 PolarHBondContact O-N 3.29Å
202D36.1Very low37.6Very low135 Ų135145.4 Ų145.472%0.72277%0.767SS**  trans102.634.6173.5-51.3-22.9000120.1F204D202-F204 VanDerWaalsContact C-N 3.3Å; D202-F204 PolarHBondContact O-N 3.33Å
203L41.8Very low37.1Very low142 Ų142148.6 Ų148.674%0.74378%0.778SS**THydrogen-bonded Turntrans-88.924.3163.5-75.6178.8000115.1
204F38.8Very low36.9Very low198 Ų198147.7 Ų147.787%0.86878%0.782SS**THydrogen-bonded Turntrans-11713.6172.6-62.4-71.7000114.5D202 L206D202-F204 VanDerWaalsContact C-N 3.3Å; D202-F204 PolarHBondContact O-N 3.33Å; F204-L206 VanDerWaalsContact C-N 3.26Å; F204-L206 PolarHBondContact O-N 2.82Å
205V32.8Very low36.4Very low125 Ų125149.3 Ų149.376%0.75878%0.782SS**  trans-82.878.1167.2-1720000108.7
206L34.5Very low36.5Very low141 Ų141145.4 Ų145.474%0.73878%0.779SS**  trans-69132.8160.7-85.3143.7000108F204 Y208F204-L206 VanDerWaalsContact C-N 3.26Å; F204-L206 PolarHBondContact O-N 2.82Å; L206-Y208 PolarHBondContact O-N 2.95Å
207P36.4Very low37Very low116 Ų116137.9 Ų137.975%0.75377%0.772SS**  trans-68112.3176.626.9-30.4000108.4S209P207-S209 VanDerWaalsContact C-N 3.3Å; P207-S209 PolarHBondContact O-N 2.94Å
208Y34.2Very low37.1Very low235 Ų235140.5 Ų140.592%0.92277%0.771SS**  trans-58.793169.9-102.6-99.6000108.8L206 V210L206-Y208 PolarHBondContact O-N 2.95Å; Y208-V210 PolarHBondContact O-N 3.36Å
209S33.1Very low37.4Very low107 Ų107137.3 Ų137.375%0.74876%0.764SS**  trans-81.3109.4164.7-168.50000107.9P207P207-S209 VanDerWaalsContact C-N 3.3Å; P207-S209 PolarHBondContact O-N 2.94Å
210V34.1Very low38.4Very low136 Ų136138.1 Ų138.182%0.82477%0.768SS**  trans-21.1130.1158-72.60000115.2Y208Y208-V210 PolarHBondContact O-N 3.36Å
211G29.8Very low39Very low69 Ų69138.6 Ų138.671%0.71177%0.771SS**  trans101.578.7155.500000116.6
212T30.4Very low39.7Very low140 Ų140136.9 Ų136.986%0.85977%0.767SS**  trans-178.6143.813223.10000109.5S214T212-S214 PolarHBondContact O-N 3.03Å
213P35.5Very low40.7Very low119 Ų119136 Ų13677%0.77376%0.761SS**  trans-78.5122.3-161.730.8-32.2000112.1F215P213-F215 PolarHBondContact O-N 3.07Å
214S39.5Very low41.4Very low105 Ų105132 Ų13273%0.73475%0.746SS**  trans41.275.8141.5-170.90000117.3T212T212-S214 PolarHBondContact O-N 3.03Å
215F35.9Very low42.2Very low189 Ų189125.9 Ų125.983%0.82972%0.722SS**  trans-151.763156.9-113.7-77.9000110.8P213P213-F215 PolarHBondContact O-N 3.07Å
216S39.8Very low43.4Very low109 Ų109128.4 Ų128.476%0.76272%0.718SS**  trans-169.720.8165.354.60000115.6
217A46.4Very low44.4Very low101 Ų101127.9 Ų127.984%0.83571%0.71SS**SBendtrans-79.6-3.2164.500000112.5
218F39.6Very low45.3Very low163 Ų163125.9 Ų125.972%0.71570%0.695SS**  trans-86.5109.8168.6-60.3-79.5000107.8
219E50.8Low46.1Very low157 Ų157118.9 Ų118.973%0.73467%0.674SS**SBendtrans175.5-5141.2-82.2-126.5148.800113.4
220D56.1Low47.4Very low153 Ų153121 Ų12182%0.81867%0.67SS**Hα-helixtrans-84-37.8169.5-80.3-35.2000112.6
221D53.4Low48.7Very low123 Ų123119.6 Ų119.666%0.65866%0.657SS**Hα-helixtrans-73.3-36177.7-86.3-37.2000113.1L223 S224 N225D221-L223 VanDerWaalsContact C-N 3.27Å; D221-L223 PolarHBondContact O-N 3.11Å; D221-S224 PolarHBondContact O-N 3.14Å; D221-S224 VanDerWaalsContact O-N 3.13Å; D221-S224 PolarHBondContact O-OG 2.96Å; D221-N225 PolarHBondContact O-N 3.4Å; D221-N225 PolarHBondContact O-ND2 3.39Å
222D54.7Low50.2Low111 Ų111122.7 Ų122.759%0.59465%0.651SS**Hα-helixtrans-66.9-30.3-177.2-148.219.4000112N225 W226D222-N225 PolarHBondContact O-N 3.1Å; D222-W226 PolarHBondContact O-N 3.13Å; D222-W226 VanDerWaalsContact O-N 3.07Å
223L56.2Low51.8Low116 Ų116119 Ų11961%0.60763%0.631SS**Hα-helixtrans-74.5-30.8176.1-154.976.4000112.4D221 W226D221-L223 VanDerWaalsContact C-N 3.27Å; D221-L223 PolarHBondContact O-N 3.11Å; L223-W226 HydrophobicContact CD1-CE3 4.2Å
224S58.1Low52.9Low60 Ų60119 Ų11942%0.4262%0.624SS.*Hα-helixtrans-73-30173.180.10000112.1D221 T228D221-S224 PolarHBondContact O-N 3.14Å; D221-S224 VanDerWaalsContact O-N 3.13Å; D221-S224 PolarHBondContact O-OG 2.96Å; S224-T228 PolarHBondContact O-OG1 3.15Å
225N54.6Low53.7Low69 Ų69118.6 Ų118.637%0.36961%0.614SS.*Hα-helixtrans-80.2-32.2178.1-68.2-23.7000113.6D221 D222 F227 T228 D229D221-N225 PolarHBondContact O-N 3.4Å; D221-N225 PolarHBondContact O-ND2 3.39Å; D222-N225 PolarHBondContact O-N 3.1Å; N225-F227 PolarHBondContact O-N 3.42Å; N225-T228 PolarHBondContact O-N 3.44Å; N225-D229 PolarHBondContact O-N 3.28Å
226W58.2Low54.6Low177 Ų177113.9 Ų113.967%0.6760%0.604SS**Hα-helixtrans-55.9-47.5178.8171.614.2000112.4D222 L223 T228D222-W226 PolarHBondContact O-N 3.13Å; D222-W226 VanDerWaalsContact O-N 3.07Å; L223-W226 HydrophobicContact CD1-CE3 4.2Å; W226-T228 VanDerWaalsContact C-N 3.33Å; W226-T228 PolarHBondContact O-N 3.35Å
227F55.5Low55.5Low131 Ų131114.9 Ų114.958%0.57560%0.597SS**Hα-helixtrans-71-31.3-178.4-115.5-84.3000113.1N225 L231N225-F227 PolarHBondContact O-N 3.42Å; F227-L231 HydrophobicContact CD1-CD1 3.96Å; F227-L231 HydrophobicContact CE1-CD1 3.98Å
228T54.5Low55.7Low73 Ų73115.4 Ų115.445%0.44859%0.592SS.*Hα-helixtrans-86.5-34.1-169.2-40.10000111.6S224 N225 W226 F232S224-T228 PolarHBondContact O-OG1 3.15Å; N225-T228 PolarHBondContact O-N 3.44Å; W226-T228 VanDerWaalsContact C-N 3.33Å; W226-T228 PolarHBondContact O-N 3.35Å; T228-F232 HydrophobicContact CG2-CD2 4.35Å; T228-F232 VanDerWaalsContact O-CD2 3.23Å; T228-F232 WeakPolarHBondContact O-CD2 3.25Å
229D52.2Low56.2Low88 Ų88113 Ų11347%0.47158%0.579SS.*Hα-helixtrans-85.8-46-169.3-64.5-16.6000112.4N225 S233N225-D229 PolarHBondContact O-N 3.28Å; D229-S233 WeakPolarHBondContact O-CB 3.41Å; D229-S233 PolarHBondContact O-N 3.15Å; D229-S233 PolarHBondContact O-OG 3.11Å
230K60.6Low56.2Low151 Ų151113.2 Ų113.266%0.65758%0.584SS**Hα-helixtrans-76.6-39.7-173.1-69.3-174.2-179.4-1780114.4N234K230-N234 WeakPolarHBondContact O-CB 3.38Å; K230-N234 PolarHBondContact O-N 3.43Å; K230-N234 VanDerWaalsContact O-N 3.1Å
231L61Low56Low108 Ų108112.1 Ų112.157%0.56557%0.572SS**Hα-helixtrans-67.5-45.5-178.1-95.1163.5000111.3F227 L235F227-L231 HydrophobicContact CD1-CD1 3.96Å; F227-L231 HydrophobicContact CE1-CD1 3.98Å; L231-L235 WeakPolarHBondContact O-CB 3.46Å; L231-L235 PolarHBondContact O-N 3.25Å; L231-L235 VanDerWaalsContact O-N 3.08Å
232F62.1Low55.8Low133 Ų133109.3 Ų109.358%0.58356%0.561SS**Hα-helixtrans-76.5-32.4-179.9-68.6-81.5000112.4T228 N234 L235 S236T228-F232 HydrophobicContact CG2-CD2 4.35Å; T228-F232 VanDerWaalsContact O-CD2 3.23Å; T228-F232 WeakPolarHBondContact O-CD2 3.25Å; F232-N234 VanDerWaalsContact C-N 3.35Å; F232-N234 PolarHBondContact O-N 3.47Å; F232-L235 PolarHBondContact O-N 3.18Å; F232-S236 WeakPolarHBondContact O-CB 3.31Å; F232-S236 PolarHBondContact O-N 3.08Å
233S62.2Low55.6Low63 Ų63108.6 Ų108.644%0.44156%0.557SS.*Hα-helixtrans-59.7-45170.6-62.60000111.8D229 L235 S236D229-S233 WeakPolarHBondContact O-CB 3.41Å; D229-S233 PolarHBondContact O-N 3.15Å; D229-S233 PolarHBondContact O-OG 3.11Å; S233-L235 VanDerWaalsContact C-N 3.32Å; S233-L235 PolarHBondContact O-N 2.83Å; S233-S236 PolarHBondContact O-N 2.93Å; S233-S236 PolarHBondContact O-OG 3.42Å
234N60.4Low55.6Low118 Ų118107.4 Ų107.463%0.63156%0.556SS**Hα-helixtrans-67.2-34.5177.4-75.10.5000112.1K230 F232 S236 Q237K230-N234 WeakPolarHBondContact O-CB 3.38Å; K230-N234 PolarHBondContact O-N 3.43Å; K230-N234 VanDerWaalsContact O-N 3.1Å; F232-N234 VanDerWaalsContact C-N 3.35Å; F232-N234 PolarHBondContact O-N 3.47Å; N234-S236 VanDerWaalsContact C-N 3.31Å; N234-Q237 WeakPolarHBondContact O-CG 3.46Å
235L54.9Low55.7Low98 Ų98113.5 Ų113.551%0.51358%0.575SS.*Hα-helixtrans-71.4-26.3176.6-168.362.1000112.7L231 F232 S233 Q237L231-L235 WeakPolarHBondContact O-CB 3.46Å; L231-L235 PolarHBondContact O-N 3.25Å; L231-L235 VanDerWaalsContact O-N 3.08Å; F232-L235 PolarHBondContact O-N 3.18Å; S233-L235 VanDerWaalsContact C-N 3.32Å; S233-L235 PolarHBondContact O-N 2.83Å; L235-Q237 VanDerWaalsContact C-N 3.26Å; L235-Q237 PolarHBondContact O-N 3.44Å
236S55.3Low55.8Low89 Ų89117.8 Ų117.862%0.62259%0.593SS**THydrogen-bonded Turntrans-77.5-4.1178.874.10000114.6F232 S233 N234F232-S236 WeakPolarHBondContact O-CB 3.31Å; F232-S236 PolarHBondContact O-N 3.08Å; S233-S236 PolarHBondContact O-N 2.93Å; S233-S236 PolarHBondContact O-OG 3.42Å; N234-S236 VanDerWaalsContact C-N 3.31Å
237Q59.3Low55.5Low131 Ų131111.2 Ų111.261%0.61257%0.57SS**SBendtrans-59.4129.7170.3-67.4-67.8-38.100109N234 L235 Y239N234-Q237 WeakPolarHBondContact O-CG 3.46Å; L235-Q237 VanDerWaalsContact C-N 3.26Å; L235-Q237 PolarHBondContact O-N 3.44Å; Q237-Y239 PolarHBondContact O-N 3.08Å
238P49.3Very low55.6Low112 Ų112109.6 Ų109.673%0.72758%0.581SS**  trans-58.4111-174.420.1-30.1000110.4L240P238-L240 PolarHBondContact O-N 3.15Å; P238-L240 VanDerWaalsContact O-N 3.08Å
239Y50.4Low55.9Low112 Ų112109.2 Ų109.244%0.43959%0.591SS.*  trans-67.4101.6176.7-168.4-85.6000108.5Q237 F241Q237-Y239 PolarHBondContact O-N 3.08Å; Y239-F241 HydrophobicContact CD1-CB 3.77Å; Y239-F241 AromaticContact CD1-CD2 3.52Å; Y239-F241 HydrophobicContact CD1-CD2 3.52Å; Y239-F241 HydrophobicContact CD1-CE2 4.45Å; Y239-F241 HydrophobicContact CD1-CG 4.02Å; Y239-F241 HydrophobicContact CE1-CB 3.82Å; Y239-F241 AromaticContact CE1-CD2 3.09Å; Y239-F241 HydrophobicContact CE1-CD2 3.09Å; Y239-F241 AromaticContact CE1-CE2 3.7Å; Y239-F241 HydrophobicContact CE1-CE2 3.7Å; Y239-F241 AromaticContact CE1-CG 3.64Å; Y239-F241 HydrophobicContact CE1-CG 3.64Å; Y239-F241 PolarHBondContact O-N 3.33Å
240L51.2Low56.4Low162 Ų162110.2 Ų110.285%0.84860%0.597SS**  trans-71.284.9164.6-70.4173.3000107.2P238 P242P238-L240 PolarHBondContact O-N 3.15Å; P238-L240 VanDerWaalsContact O-N 3.08Å; L240-P242 VanDerWaalsContact O-CD 3.25Å; L240-P242 WeakPolarHBondContact O-CD 3.39Å; L240-P242 VanDerWaalsContact O-N 3.14Å
241F51.6Low56.3Low129 Ų129106.2 Ų106.257%0.56659%0.592SS**PPolyproline II helixtrans-53.9119.7170.9-148.3-81.5000106.9Y239 N243 M247Y239-F241 HydrophobicContact CD1-CB 3.77Å; Y239-F241 AromaticContact CD1-CD2 3.52Å; Y239-F241 HydrophobicContact CD1-CD2 3.52Å; Y239-F241 HydrophobicContact CD1-CE2 4.45Å; Y239-F241 HydrophobicContact CD1-CG 4.02Å; Y239-F241 HydrophobicContact CE1-CB 3.82Å; Y239-F241 AromaticContact CE1-CD2 3.09Å; Y239-F241 HydrophobicContact CE1-CD2 3.09Å; Y239-F241 AromaticContact CE1-CE2 3.7Å; Y239-F241 HydrophobicContact CE1-CE2 3.7Å; Y239-F241 AromaticContact CE1-CG 3.64Å; Y239-F241 HydrophobicContact CE1-CG 3.64Å; Y239-F241 PolarHBondContact O-N 3.33Å; F241-N243 PolarHBondContact O-N 3.03Å; F241-N243 VanDerWaalsContact O-N 3.13Å; F241-M247 HydrophobicContact CD1-CE 4.23Å; F241-M247 HydrophobicContact CD1-SD 4.1Å; F241-M247 HydrophobicContact CE1-CE 3.9Å; F241-M247 HydrophobicContact CE1-SD 3.66Å
242P49.2Very low56.1Low64 Ų64107.1 Ų107.142%0.41660%0.598SS.*PPolyproline II helixtrans-52.7126.3172.4-23.730.6000108.1L240 M247L240-P242 VanDerWaalsContact O-CD 3.25Å; L240-P242 WeakPolarHBondContact O-CD 3.39Å; L240-P242 VanDerWaalsContact O-N 3.14Å; P242-M247 HydrophobicContact CB-CE 3.76Å; P242-M247 HydrophobicContact CB-CG 4.29Å; P242-M247 HydrophobicContact CB-SD 4.41Å; P242-M247 HydrophobicContact CG-CE 3.76Å; P242-M247 VanDerWaalsContact O-SD 3.32Å
243N51.4Low55.8Low96 Ų96103.6 Ų103.651%0.51358%0.584SS.*PPolyproline II helixtrans-50.5126.5-172.8-175.1-10.4000109F241 K245 E246F241-N243 PolarHBondContact O-N 3.03Å; F241-N243 VanDerWaalsContact O-N 3.13Å; N243-K245 PolarHBondContact O-N 3.33Å; N243-E246 PolarHBondContact O-N 3.43Å
244P55.9Low55.6Low92 Ų92107.7 Ų107.760%0.59760%0.599SS**G310 helixtrans-54-20.2-173.817.3-32.7000114.2E246 M247P244-E246 VanDerWaalsContact C-N 3.26Å; P244-E246 PolarHBondContact O-N 3.44Å; P244-M247 PolarHBondContact O-N 2.97Å
245K59.3Low55.4Low187 Ų187107.6 Ų107.681%0.81360%0.595SS**G310 helixtrans-67.7-20.8174.6-159.4167.2177.8175.20114.1N243N243-K245 PolarHBondContact O-N 3.33Å
246E57.4Low55.2Low160 Ų160108.1 Ų108.175%0.74860%0.604SS**G310 helixtrans-92-13.2173.4-61.7-178-159.500112.6N243 P244N243-E246 PolarHBondContact O-N 3.43Å; P244-E246 VanDerWaalsContact C-N 3.26Å; P244-E246 PolarHBondContact O-N 3.44Å
247M52.8Low55.1Low38 Ų38105.6 Ų105.619%0.18759%0.592CS.*  trans-93.7-2.2-172.2-62-174.813100114.7F241 P242 P244 G249 I253F241-M247 HydrophobicContact CD1-CE 4.23Å; F241-M247 HydrophobicContact CD1-SD 4.1Å; F241-M247 HydrophobicContact CE1-CE 3.9Å; F241-M247 HydrophobicContact CE1-SD 3.66Å; P242-M247 HydrophobicContact CB-CE 3.76Å; P242-M247 HydrophobicContact CB-CG 4.29Å; P242-M247 HydrophobicContact CB-SD 4.41Å; P242-M247 HydrophobicContact CG-CE 3.76Å; P242-M247 VanDerWaalsContact O-SD 3.32Å; P244-M247 PolarHBondContact O-N 2.97Å; M247-G249 PolarHBondContact O-N 3.42Å; M247-I253 HydrophobicContact CB-CD1 4.12Å; M247-I253 HydrophobicContact CB-CG2 3.8Å; M247-I253 HydrophobicContact CE-CG2 3.08Å; M247-I253 HydrophobicContact CG-CD1 4.42Å; M247-I253 HydrophobicContact CG-CG2 3.59Å; M247-I253 HydrophobicContact SD-CG2 3.61Å
248A57.1Low54.9Low98 Ų98104.2 Ų104.281%0.8159%0.589SS**THydrogen-bonded Turntrans-73.712.3-166.700000116.4
249G61.1Low55.3Low64 Ų64104 Ų10466%0.6659%0.585SS**THydrogen-bonded Turntrans-125.4-26.9-17300000117.1M247M247-G249 PolarHBondContact O-N 3.42Å
250N62.6Low55.5Low109 Ų109103.6 Ų103.658%0.58359%0.587SS**  trans-126.8115.6-168-60.4-18.1000110.7D252 I253N250-D252 PolarHBondContact O-N 3.13Å; N250-D252 VanDerWaalsContact O-N 3.12Å; N250-I253 HydrophobicContact CB-CD1 3.94Å; N250-I253 HydrophobicContact CB-CG1 4.06Å; N250-I253 VanDerWaalsContact O-CB 3.22Å; N250-I253 WeakPolarHBondContact O-CB 3.44Å; N250-I253 VanDerWaalsContact O-CG1 3.26Å; N250-I253 WeakPolarHBondContact O-CG1 3.44Å; N250-I253 PolarHBondContact O-N 3.08Å
251A57.6Low55.4Low68 Ų68102.9 Ų102.956%0.56258%0.583SS**G310 helixtrans-61-19.5177.300000113.7I253 I254A251-I253 PolarHBondContact O-N 2.89Å; A251-I253 VanDerWaalsContact O-N 3.14Å; A251-I254 PolarHBondContact O-N 2.93Å; A251-I254 VanDerWaalsContact O-N 3.11Å
252D56.9Low55.4Low127 Ų127103.2 Ų103.268%0.67959%0.587SS**G310 helixtrans-60.6-17.8171.5-70.1-22.8000113N250 I254 Q255N250-D252 PolarHBondContact O-N 3.13Å; N250-D252 VanDerWaalsContact O-N 3.12Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.47Å; D252-Q255 WeakPolarHBondContact O-CB 3.45Å; D252-Q255 PolarHBondContact O-N 3.24Å
253I56.3Low55.3Low59 Ų59103.5 Ų103.530%0.30359%0.589SS.*G310 helixtrans-76-17.9178-60.6175.2000112.3M247 N250 A251 Q255M247-I253 HydrophobicContact CB-CD1 4.12Å; M247-I253 HydrophobicContact CB-CG2 3.8Å; M247-I253 HydrophobicContact CE-CG2 3.08Å; M247-I253 HydrophobicContact CG-CD1 4.42Å; M247-I253 HydrophobicContact CG-CG2 3.59Å; M247-I253 HydrophobicContact SD-CG2 3.61Å; N250-I253 HydrophobicContact CB-CD1 3.94Å; N250-I253 HydrophobicContact CB-CG1 4.06Å; N250-I253 VanDerWaalsContact O-CB 3.22Å; N250-I253 WeakPolarHBondContact O-CB 3.44Å; N250-I253 VanDerWaalsContact O-CG1 3.26Å; N250-I253 WeakPolarHBondContact O-CG1 3.44Å; N250-I253 PolarHBondContact O-N 3.08Å; A251-I253 PolarHBondContact O-N 2.89Å; A251-I253 VanDerWaalsContact O-N 3.14Å; I253-Q255 PolarHBondContact O-N 2.91Å
254I56.9Low55.8Low148 Ų148102.2 Ų102.276%0.75959%0.587SS**G310 helixtrans-79.2-10.5175.4-56.2173.1000111A251 D252A251-I254 PolarHBondContact O-N 2.93Å; A251-I254 VanDerWaalsContact O-N 3.11Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.47Å
255Q56.2Low55.9Low117 Ų117103.8 Ų103.855%0.54759%0.59SS.*SBendtrans-68.6125.2163.9-61.5-170000107.7D252 I253 G257D252-Q255 WeakPolarHBondContact O-CB 3.45Å; D252-Q255 PolarHBondContact O-N 3.24Å; I253-Q255 PolarHBondContact O-N 2.91Å; Q255-G257 PolarHBondContact O-N 3.27Å
256P50.8Low56Low108 Ų108100.4 Ų100.470%0.70158%0.577SS**  trans-54.1124173.124.1-32.4000107L258P256-L258 PolarHBondContact O-N 3.4Å
257G52.8Low56Low36 Ų3698.3 Ų98.337%0.37157%0.567SS.*  trans-51.7115-171.900000110Q255 V259Q255-G257 PolarHBondContact O-N 3.27Å; G257-V259 PolarHBondContact O-N 2.79Å
258L55.4Low56.2Low102 Ų10299.3 Ų99.353%0.53457%0.573SS.*G310 helixtrans-62.32-178.6-87.790.8000113.5P256 Q260 L261 Q262P256-L258 PolarHBondContact O-N 3.4Å; L258-Q260 PolarHBondContact O-N 3Å; L258-L261 PolarHBondContact O-N 3.25Å; L258-Q262 PolarHBondContact O-N 3.47Å
259V58.5Low56.1Low108 Ų108100.4 Ų100.466%0.65556%0.563SS**G310 helixtrans-53.5-37.1177.8-177.20000111.4G257 L261 Q262G257-V259 PolarHBondContact O-N 2.79Å; V259-L261 PolarHBondContact O-N 3.05Å; V259-Q262 PolarHBondContact O-N 3.08Å
260Q53.5Low56Low104 Ų104105.9 Ų105.949%0.48656%0.563SS.*G310 helixtrans-67.1-20.5177.5-69.6-174.5-5.300114.1L258L258-Q260 PolarHBondContact O-N 3Å
261L50.3Low55.5Low146 Ų146104.7 Ų104.776%0.76456%0.56SS**G310 helixtrans-96.4-5.6178.1-64.9174.2000112.6L258 V259L258-L261 PolarHBondContact O-N 3.25Å; V259-L261 PolarHBondContact O-N 3.05Å
262Q51.6Low55Low137 Ų137107.2 Ų107.264%0.6456%0.559SS**SBendtrans-77.3129174.5-66.8-171-0.700109.1L258 V259 S264L258-Q262 PolarHBondContact O-N 3.47Å; V259-Q262 PolarHBondContact O-N 3.08Å; Q262-S264 PolarHBondContact O-N 3.1Å
263P47.8Very low54.5Low69 Ų69104.4 Ų104.445%0.44856%0.56SS.*PPolyproline II helixtrans-57.7138.117424.5-32.4000109.1E267 I268P263-E267 HydrophobicContact CB-CB 4.21Å; P263-E267 HydrophobicContact CB-CG 4.21Å; P263-E267 WeakPolarHBondContact CB-OE2 3.24Å; P263-I268 HydrophobicContact CB-CG1 4.37Å; P263-I268 HydrophobicContact CG-CD1 4.39Å; P263-I268 HydrophobicContact CG-CG1 4.16Å
264S60.1Low53.9Low69 Ų69105.8 Ų105.848%0.48357%0.571SS.*PPolyproline II helixtrans-61149-179.767.50000109.7Q262 E266 E267 I268Q262-S264 PolarHBondContact O-N 3.1Å; S264-E266 PolarHBondContact O-N 3.47Å; S264-E267 WeakPolarHBondContact O-CA 3.38Å; S264-E267 WeakPolarHBondContact O-CB 3.45Å; S264-E267 PolarHBondContact O-N 3.22Å; S264-E267 PolarHBondContact OG-N 3.26Å; S264-I268 PolarHBondContact O-N 3.45Å; S264-I268 VanDerWaalsContact O-N 3.16Å
265L59.9Low53.4Low125 Ų125104.2 Ų104.265%0.65457%0.573SS**Hα-helixtrans-51-32.7178.4-177.664.7000111.9I268 M269L265-I268 PolarHBondContact O-N 2.77Å; L265-M269 HydrophobicContact CG-CG 4.42Å; L265-M269 HydrophobicContact CG-SD 4.21Å; L265-M269 WeakPolarHBondContact O-CB 3.4Å; L265-M269 VanDerWaalsContact O-CG 3.27Å; L265-M269 WeakPolarHBondContact O-CG 3.46Å; L265-M269 PolarHBondContact O-N 3.42Å
266E60.5Low52.8Low116 Ų116104.7 Ų104.754%0.54258%0.579SS.*Hα-helixtrans-64.2-41175.5-164.4-170.5153.200112.7S264 I268 M269 R270S264-E266 PolarHBondContact O-N 3.47Å; E266-I268 VanDerWaalsContact C-N 3.34Å; E266-M269 PolarHBondContact O-N 3.44Å; E266-R270 WeakPolarHBondContact O-CG 3.38Å; E266-R270 PolarHBondContact O-N 2.84Å; E266-R270 IonicContact OE1-CZ 2.7Å; E266-R270 IonicContact OE1-NE 3.6Å; E266-R270 PolarHBondContact OE1-NE 3.47Å; E266-R270 IonicContact OE1-NH2 3.48Å; E266-R270 PolarHBondContact OE1-NH2 3.19Å
267E57.6Low52.5Low116 Ų116101 Ų10154%0.54256%0.556SS.*Hα-helixtrans-63.5-42.3174.8-172.1173.7-172.100110.8P263 S264 R270 T271P263-E267 HydrophobicContact CB-CB 4.21Å; P263-E267 HydrophobicContact CB-CG 4.21Å; P263-E267 WeakPolarHBondContact CB-OE2 3.24Å; S264-E267 WeakPolarHBondContact O-CA 3.38Å; S264-E267 WeakPolarHBondContact O-CB 3.45Å; S264-E267 PolarHBondContact O-N 3.22Å; S264-E267 PolarHBondContact OG-N 3.26Å; E267-R270 PolarHBondContact O-N 3.13Å; E267-T271 PolarHBondContact O-N 3.32Å; E267-T271 VanDerWaalsContact O-N 3.08Å; E267-T271 PolarHBondContact O-OG1 3.2Å; E267-T271 VanDerWaalsContact O-OG1 3.08Å
268I56.6Low52Low60 Ų60107.2 Ų107.231%0.30857%0.573SS.*Hα-helixtrans-64.3-43.7175.7-48179.1000110.5P263 S264 L265 E266 R270 T271 F272P263-I268 HydrophobicContact CB-CG1 4.37Å; P263-I268 HydrophobicContact CG-CD1 4.39Å; P263-I268 HydrophobicContact CG-CG1 4.16Å; S264-I268 PolarHBondContact O-N 3.45Å; S264-I268 VanDerWaalsContact O-N 3.16Å; L265-I268 PolarHBondContact O-N 2.77Å; E266-I268 VanDerWaalsContact C-N 3.34Å; I268-R270 VanDerWaalsContact C-N 3.34Å; I268-R270 PolarHBondContact O-N 3.07Å; I268-T271 VanDerWaalsContact C-OG1 3.28Å; I268-T271 VanDerWaalsContact CA-OG1 3.28Å; I268-T271 WeakPolarHBondContact CA-OG1 3.09Å; I268-T271 PolarHBondContact O-N 3.42Å; I268-T271 PolarHBondContact O-OG1 3.27Å; I268-F272 HydrophobicContact CB-CE2 4.3Å; I268-F272 HydrophobicContact CG2-CD2 3.83Å; I268-F272 HydrophobicContact CG2-CE2 3.19Å; I268-F272 HydrophobicContact CG2-CZ 3.8Å; I268-F272 WeakPolarHBondContact O-CD2 3.35Å; I268-F272 WeakPolarHBondContact O-CG 3.2Å; I268-F272 PolarHBondContact O-N 3.35Å
269M56Low51.3Low121 Ų121108 Ų10860%0.59657%0.574SS**Hα-helixtrans-62.9-36.4175.7-74.5-179.169.700112.9L265 E266 F272 G273L265-M269 HydrophobicContact CG-CG 4.42Å; L265-M269 HydrophobicContact CG-SD 4.21Å; L265-M269 WeakPolarHBondContact O-CB 3.4Å; L265-M269 VanDerWaalsContact O-CG 3.27Å; L265-M269 WeakPolarHBondContact O-CG 3.46Å; L265-M269 PolarHBondContact O-N 3.42Å; E266-M269 PolarHBondContact O-N 3.44Å; M269-F272 PolarHBondContact O-N 3.31Å; M269-G273 PolarHBondContact O-N 3.07Å
270R57.5Low50.5Low178 Ų178107.2 Ų107.267%0.67257%0.57SS**Hα-helixtrans-64.6-39.5172.6-75.5-175.6-169.7-152.55.7112E266 E267 I268 F272 G273E266-R270 WeakPolarHBondContact O-CG 3.38Å; E266-R270 PolarHBondContact O-N 2.84Å; E266-R270 IonicContact OE1-CZ 2.7Å; E266-R270 IonicContact OE1-NE 3.6Å; E266-R270 PolarHBondContact OE1-NE 3.47Å; E266-R270 IonicContact OE1-NH2 3.48Å; E266-R270 PolarHBondContact OE1-NH2 3.19Å; E267-R270 PolarHBondContact O-N 3.13Å; I268-R270 VanDerWaalsContact C-N 3.34Å; I268-R270 PolarHBondContact O-N 3.07Å; R270-F272 VanDerWaalsContact C-N 3.34Å; R270-G273 PolarHBondContact O-N 3.42Å
271T51.9Low49.6Very low85 Ų85110.7 Ų110.752%0.52158%0.579SS.*Hα-helixtrans-63.8-37.1171.127.90000112.8E267 I268 G273 T274E267-T271 PolarHBondContact O-N 3.32Å; E267-T271 VanDerWaalsContact O-N 3.08Å; E267-T271 PolarHBondContact O-OG1 3.2Å; E267-T271 VanDerWaalsContact O-OG1 3.08Å; I268-T271 VanDerWaalsContact C-OG1 3.28Å; I268-T271 VanDerWaalsContact CA-OG1 3.28Å; I268-T271 WeakPolarHBondContact CA-OG1 3.09Å; I268-T271 PolarHBondContact O-N 3.42Å; I268-T271 PolarHBondContact O-OG1 3.27Å; T271-G273 VanDerWaalsContact C-N 3.29Å; T271-G273 PolarHBondContact O-N 2.84Å; T271-T274 PolarHBondContact O-N 3.41Å; T271-T274 PolarHBondContact O-OG1 3.5Å
272F47.3Very low48.8Very low120 Ų120112.2 Ų112.253%0.52657%0.574SS.*Hα-helixtrans-70.1-21176.4-70.1-56.6000114.2I268 M269 R270 T274I268-F272 HydrophobicContact CB-CE2 4.3Å; I268-F272 HydrophobicContact CG2-CD2 3.83Å; I268-F272 HydrophobicContact CG2-CE2 3.19Å; I268-F272 HydrophobicContact CG2-CZ 3.8Å; I268-F272 WeakPolarHBondContact O-CD2 3.35Å; I268-F272 WeakPolarHBondContact O-CG 3.2Å; I268-F272 PolarHBondContact O-N 3.35Å; M269-F272 PolarHBondContact O-N 3.31Å; R270-F272 VanDerWaalsContact C-N 3.34Å; F272-T274 PolarHBondContact O-N 3.05Å
273G46.2Very low48.2Very low68 Ų68115.2 Ų115.270%0.70158%0.58SS**THydrogen-bonded Turntrans-65.4-17.7174.600000113.7M269 R270 T271M269-G273 PolarHBondContact O-N 3.07Å; R270-G273 PolarHBondContact O-N 3.42Å; T271-G273 VanDerWaalsContact C-N 3.29Å; T271-G273 PolarHBondContact O-N 2.84Å
274T44.5Very low47.8Very low88 Ų88115.9 Ų115.954%0.5458%0.582SS.*SBendtrans-88.6115.9172.366.30000109.2T271 F272 D276 S277T271-T274 PolarHBondContact O-N 3.41Å; T271-T274 PolarHBondContact O-OG1 3.5Å; F272-T274 PolarHBondContact O-N 3.05Å; T274-D276 PolarHBondContact O-N 3.27Å; T274-S277 PolarHBondContact O-N 3.37Å
275S45.5Very low46.6Very low115 Ų115116.4 Ų116.480%0.80458%0.579SS**THydrogen-bonded Turntrans-56.2-4.8-174.8-127.70000115.1
276D44.7Very low45.1Very low127 Ų127120.5 Ų120.568%0.67959%0.586SS**THydrogen-bonded Turntrans-85.1-9.3-179.5-78.4-24.9000115T274 F278 Q279T274-D276 PolarHBondContact O-N 3.27Å; D276-F278 PolarHBondContact O-N 3.11Å; D276-Q279 PolarHBondContact O-N 3.32Å
277S44.2Very low43.6Very low31 Ų31125.6 Ų125.622%0.21760%0.6CS.*Hα-helixtrans-71-29.4-177.873.70000114.5T274 Q279 V280 W281T274-S277 PolarHBondContact O-N 3.37Å; S277-Q279 PolarHBondContact O-N 3.48Å; S277-V280 PolarHBondContact O-N 3.08Å; S277-V280 VanDerWaalsContact O-N 3.16Å; S277-W281 PolarHBondContact O-N 3.45Å
278F42.7Very low42.4Very low166 Ų166125 Ų12573%0.72861%0.607SS**Hα-helixtrans-65.1-23.9178.7-97.9-86.4000113.1D276D276-F278 PolarHBondContact O-N 3.11Å
279Q41Very low41.2Very low119 Ų119129.3 Ų129.356%0.55663%0.626SS**Hα-helixtrans-80.8-30.8176.5-66.6-73.925.400112.4D276 S277 R283D276-Q279 PolarHBondContact O-N 3.32Å; S277-Q279 PolarHBondContact O-N 3.48Å; Q279-R283 PolarHBondContact O-N 2.9Å
280V41.9Very low40Very low92 Ų92127.7 Ų127.756%0.55863%0.632SS**Hα-helixtrans-70.3-43.9-179.7-179.80000110.7S277 R282 R283 V284S277-V280 PolarHBondContact O-N 3.08Å; S277-V280 VanDerWaalsContact O-N 3.16Å; V280-R282 PolarHBondContact O-N 2.99Å; V280-R283 WeakPolarHBondContact O-CB 3.46Å; V280-R283 PolarHBondContact O-N 2.94Å; V280-R283 VanDerWaalsContact O-N 3.11Å; V280-V284 WeakPolarHBondContact O-CG2 3.39Å; V280-V284 PolarHBondContact O-N 2.53Å
281W34.2Very low38.5Very low177 Ų177122.5 Ų122.567%0.6763%0.633SS**Hα-helixtrans-66.4-38.4-178.8-121.186.5000112.9S277 R283 V284 I285S277-W281 PolarHBondContact O-N 3.45Å; W281-R283 VanDerWaalsContact C-N 3.27Å; W281-R283 PolarHBondContact O-N 2.71Å; W281-V284 PolarHBondContact O-N 2.9Å; W281-I285 HydrophobicContact CD2-CD1 4.49Å; W281-I285 HydrophobicContact CE3-CD1 3.25Å; W281-I285 HydrophobicContact CE3-CG1 3.49Å; W281-I285 VanDerWaalsContact CE3-CG1 3.49Å; W281-I285 HydrophobicContact CZ3-CD1 3.45Å; W281-I285 VanDerWaalsContact CZ3-CD1 3.45Å; W281-I285 HydrophobicContact CZ3-CG1 3.51Å; W281-I285 WeakPolarHBondContact O-CG1 3.27Å; W281-I285 PolarHBondContact O-N 2.85Å
282R32.6Very low37.4Very low177 Ų177129.2 Ų129.267%0.66865%0.649SS**Hα-helixtrans-59-40.3171.1-102.5-162.2-96.6-140-2.4111.8V280 V284 W286V280-R282 PolarHBondContact O-N 2.99Å; R282-V284 PolarHBondContact O-N 3.36Å; R282-W286 WeakPolarHBondContact O-CB 3.28Å; R282-W286 PolarHBondContact O-N 3.16Å; R282-W286 VanDerWaalsContact O-N 3.08Å
283R39.1Very low36.4Very low201 Ų201133.3 Ų133.376%0.75867%0.667SS**Hα-helixtrans-68.9-33-179.5-143.8-178-80.1176.4-5.3112.4Q279 V280 W281 R287Q279-R283 PolarHBondContact O-N 2.9Å; V280-R283 WeakPolarHBondContact O-CB 3.46Å; V280-R283 PolarHBondContact O-N 2.94Å; V280-R283 VanDerWaalsContact O-N 3.11Å; W281-R283 VanDerWaalsContact C-N 3.27Å; W281-R283 PolarHBondContact O-N 2.71Å; R283-R287 WeakPolarHBondContact O-CB 3.41Å; R283-R287 PolarHBondContact O-N 3.34Å
284V39.5Very low35.5Very low83 Ų83135 Ų13550%0.50367%0.665SS.*Hα-helixtrans-74.8-46.6176.7175.80000111.7V280 W281 R282 W286 R287 C288V280-V284 WeakPolarHBondContact O-CG2 3.39Å; V280-V284 PolarHBondContact O-N 2.53Å; W281-V284 PolarHBondContact O-N 2.9Å; R282-V284 PolarHBondContact O-N 3.36Å; V284-W286 PolarHBondContact O-N 3.48Å; V284-R287 PolarHBondContact O-N 2.85Å; V284-C288 PolarHBondContact O-N 3.08Å
285I35.7Very low34.5Very low80 Ų80136.6 Ų136.641%0.4168%0.68SS.*Hα-helixtrans-63.1-44178.3-61.9161.4000111.1W281 R287 C288W281-I285 HydrophobicContact CD2-CD1 4.49Å; W281-I285 HydrophobicContact CE3-CD1 3.25Å; W281-I285 HydrophobicContact CE3-CG1 3.49Å; W281-I285 VanDerWaalsContact CE3-CG1 3.49Å; W281-I285 HydrophobicContact CZ3-CD1 3.45Å; W281-I285 VanDerWaalsContact CZ3-CD1 3.45Å; W281-I285 HydrophobicContact CZ3-CG1 3.51Å; W281-I285 WeakPolarHBondContact O-CG1 3.27Å; W281-I285 PolarHBondContact O-N 2.85Å; I285-R287 PolarHBondContact O-N 3Å; I285-C288 PolarHBondContact O-N 2.66Å; I285-C288 VanDerWaalsContact O-N 3.15Å
286W27.3Very low33.6Very low210 Ų210139.5 Ų139.580%0.79568%0.679SS**Hα-helixtrans-63.6-29.3-178.5-12682.6000112.4R282 V284R282-W286 WeakPolarHBondContact O-CB 3.28Å; R282-W286 PolarHBondContact O-N 3.16Å; R282-W286 VanDerWaalsContact O-N 3.08Å; V284-W286 PolarHBondContact O-N 3.48Å
287R29.6Very low32.7Very low223 Ų223139 Ų13984%0.84269%0.685SS**Hα-helixtrans-77.3-22.5178.4-165.2147.7177.1138.4-4.3113.4R283 V284 I285R283-R287 WeakPolarHBondContact O-CB 3.41Å; R283-R287 PolarHBondContact O-N 3.34Å; V284-R287 PolarHBondContact O-N 2.85Å; I285-R287 PolarHBondContact O-N 3Å
288C31.4Very low31.8Very low103 Ų103143.2 Ų143.270%0.69671%0.705SS**Hα-helixtrans-84.3-19.2178.5-71.80000114.2V284 I285V284-C288 PolarHBondContact O-N 3.08Å; I285-C288 PolarHBondContact O-N 2.66Å; I285-C288 VanDerWaalsContact O-N 3.15Å
289H32.8Very low30.9Very low151 Ų151142 Ų14270%0.69971%0.706SS**SBendtrans-105.92.9-174.5-93.2-62.1000116.7G291H289-G291 PolarHBondContact O-N 3.02Å
290A29.5Very low30.3Very low87 Ų87143 Ų14372%0.71971%0.714SS**THydrogen-bonded Turntrans-76.63.9-179.400000115.3
291G27.4Very low29.5Very low69 Ų69145.8 Ų145.871%0.71173%0.726SS**THydrogen-bonded Turntrans-101.7-23.4-169.900000117.6H289H289-G291 PolarHBondContact O-N 3.02Å
292R27.6Very low29.2Very low227 Ų227145.9 Ų145.986%0.85773%0.731SS**  trans-149.4114.5-177.3-64.3-170.6-154.2-145.35.4110.9P294R292-P294 VanDerWaalsContact O-CD 3.31Å; R292-P294 WeakPolarHBondContact O-CD 3.41Å
293K26.4Very low28.9Very low205 Ų205143.5 Ų143.589%0.89174%0.737SS**  trans-59.4119.6163.8-77.5-176.5175.3178.50108.2S295K293-S295 PolarHBondContact O-N 3.46Å
294P27.1Very low28.3Very low103 Ų103143.1 Ų143.167%0.66974%0.74SS**  trans-78.5118.4169.5-0.117.4000108.1R292 F296R292-P294 VanDerWaalsContact O-CD 3.31Å; R292-P294 WeakPolarHBondContact O-CD 3.41Å; P294-F296 PolarHBondContact O-N 3.44Å; P294-F296 VanDerWaalsContact O-N 3.08Å
295S25.1Very low27.7Very low122 Ų122145 Ų14585%0.85375%0.754SS**  trans-67.6101.5162-57.30000107.5K293 S297K293-S295 PolarHBondContact O-N 3.46Å; S295-S297 PolarHBondContact O-N 3.36Å; S295-S297 VanDerWaalsContact O-N 3.15Å
296F25.4Very low27.4Very low177 Ų177149 Ų14978%0.77678%0.776SS**  trans-63.8106.3168.9-110.6-97.9000108.2P294 N298P294-F296 PolarHBondContact O-N 3.44Å; P294-F296 VanDerWaalsContact O-N 3.08Å; F296-N298 WeakPolarHBondContact CD1-OD1 3.05Å
297S25Very low27.4Very low116 Ų116142.2 Ų142.281%0.81177%0.772SS**  trans-96.8101.8152.7-1630000106.1S295 D299S295-S297 PolarHBondContact O-N 3.36Å; S295-S297 VanDerWaalsContact O-N 3.15Å; S297-D299 PolarHBondContact O-N 3.16Å
298N26.4Very low27.5Very low119 Ų119140 Ų14064%0.63678%0.777SS**  trans-57.1124.4166.9-64.9-42.2000107.6F296F296-N298 WeakPolarHBondContact CD1-OD1 3.05Å
299D23.8Very low27.4Very low141 Ų141138.1 Ų138.175%0.75478%0.775SS**  trans173.662.9148.9-83.6-19.8000109.8S297S297-D299 PolarHBondContact O-N 3.16Å
300I28.6Very low27.4Very low141 Ų141141.2 Ų141.272%0.72379%0.787SS**  trans-136.594.4154.5-53.4-179.8000107.5F302I300-F302 HydrophobicContact CG2-CD2 3.55Å; I300-F302 HydrophobicContact CG2-CE2 3.55Å; I300-F302 PolarHBondContact O-N 3.23Å
301N24.2Very low27.7Very low150 Ų150141.7 Ų141.780%0.80279%0.785SS**  trans-67.791.9169.9-71.1-46.4000109.4T303N301-T303 PolarHBondContact O-N 2.83Å
302F27.7Very low28.4Very low179 Ų179141.8 Ų141.879%0.78578%0.775SS**  trans-8597.1159-89.5-81.3000108.4I300 K304I300-F302 HydrophobicContact CG2-CD2 3.55Å; I300-F302 HydrophobicContact CG2-CE2 3.55Å; I300-F302 PolarHBondContact O-N 3.23Å; F302-K304 PolarHBondContact O-N 3.48Å
303T27.2Very low28.9Very low127 Ų127136.7 Ų136.778%0.77977%0.768SS**PPolyproline II helixtrans-57116.9162370000108.6N301 P305N301-T303 PolarHBondContact O-N 2.83Å; T303-P305 WeakPolarHBondContact O-CD 3.49Å
304K26.1Very low29.2Very low192 Ų192133.5 Ų133.584%0.83576%0.756SS**PPolyproline II helixtrans-63124.4179.1-71.7174176.4174.50110.4F302F302-K304 PolarHBondContact O-N 3.48Å
305P27.5Very low29.4Very low123 Ų123134.8 Ų134.880%0.79975%0.754SS**PPolyproline II helixtrans-80.3132.9154.44.414.4000108.6T303T303-P305 WeakPolarHBondContact O-CD 3.49Å
306N28.6Very low29.9Very low163 Ų163135.1 Ų135.187%0.87275%0.745SS**PPolyproline II helixtrans-62.9140.5174.5-70.1-36.9000111.3
307G28.7Very low30.3Very low68 Ų68136.2 Ų136.270%0.70174%0.744SS**SBendtrans94.3102.6159.200000115.8G309G307-G309 PolarHBondContact O-N 2.86Å
308N30.8Very low30.7Very low177 Ų177136.2 Ų136.295%0.94773%0.734SS**  trans32.984.7146.9-63-4000117.4
309G30Very low30.9Very low64 Ų64138.1 Ų138.166%0.6674%0.739SS**  trans-169.494166.100000110.4G307 S311G307-G309 PolarHBondContact O-N 2.86Å; G309-S311 PolarHBondContact O-N 3.33Å
310F33.3Very low31.5Very low215 Ų215138.2 Ų138.294%0.94374%0.739SS**  trans-61.392.7164.2-75.3-90.1000107.5S312F310-S312 VanDerWaalsContact C-N 3.26Å; F310-S312 PolarHBondContact O-N 2.83Å
311S35.8Very low31.6Very low98 Ų98133.8 Ų133.869%0.68572%0.724SS**  trans-6694.4168.4-800000107.5G309G309-S311 PolarHBondContact O-N 3.33Å
312S40.5Very low31.9Very low70 Ų70132.1 Ų132.149%0.4972%0.719SS.*  trans-56.7144.1175.1172.10000110.1F310 H314 Q315F310-S312 VanDerWaalsContact C-N 3.26Å; F310-S312 PolarHBondContact O-N 2.83Å; S312-H314 PolarHBondContact O-N 3.41Å; S312-Q315 PolarHBondContact O-N 3.37Å
313V39.4Very low31.9Very low120 Ų120134.7 Ų134.773%0.72772%0.723SS**Hα-helixtrans-45.6-23.8174.8-179.30000112.9Q315 L316 R317V313-Q315 VanDerWaalsContact C-N 3.32Å; V313-Q315 PolarHBondContact O-N 3.44Å; V313-L316 PolarHBondContact O-N 3.08Å; V313-R317 PolarHBondContact O-N 3.18Å
314H31.8Very low32.2Very low138 Ų138132.6 Ų132.664%0.63971%0.714SS**Hα-helixtrans-54.5-38.2171.8-97.6-90.2000114.7S312 R317 L318S312-H314 PolarHBondContact O-N 3.41Å; H314-R317 PolarHBondContact O-N 3.3Å; H314-L318 PolarHBondContact O-N 2.97Å
315Q31.8Very low32.3Very low131 Ų131131.1 Ų131.161%0.61271%0.71SS**Hα-helixtrans-75.8-31.9-174.5-164.6155.8-33.400112.4S312 V313 R317 Q319S312-Q315 PolarHBondContact O-N 3.37Å; V313-Q315 VanDerWaalsContact C-N 3.32Å; V313-Q315 PolarHBondContact O-N 3.44Å; Q315-R317 VanDerWaalsContact C-N 3.27Å; Q315-R317 PolarHBondContact O-N 3.44Å; Q315-Q319 PolarHBondContact O-N 3.21Å
316L35.1Very low32.4Very low129 Ų129130.5 Ų130.568%0.67571%0.708SS**Hα-helixtrans-65.6-31.1171.2-80.8163.3000112V313V313-L316 PolarHBondContact O-N 3.08Å
317R33Very low32.6Very low199 Ų199130.2 Ų130.275%0.75171%0.706SS**Hα-helixtrans-75.4-36.7-179.5-155.3174.2-172.1162.21.3112.6V313 H314 Q315 L320 A321V313-R317 PolarHBondContact O-N 3.18Å; H314-R317 PolarHBondContact O-N 3.3Å; Q315-R317 VanDerWaalsContact C-N 3.27Å; Q315-R317 PolarHBondContact O-N 3.44Å; R317-L320 PolarHBondContact O-N 3.03Å; R317-A321 PolarHBondContact O-N 3.2Å
318L35.4Very low32.7Very low116 Ų116133 Ų13361%0.60771%0.709SS**Hα-helixtrans-70.5-36-179.7-74.6170.4000113.1H314 L320 A321H314-L318 PolarHBondContact O-N 2.97Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 PolarHBondContact O-N 2.92Å; L318-A321 PolarHBondContact O-N 3.25Å
319Q30.7Very low32.4Very low159 Ų159130.1 Ų130.174%0.74370%0.704SS**Hα-helixtrans-65.7-27.9177-91.4-170.4-28.900113.5Q315Q315-Q319 PolarHBondContact O-N 3.21Å
320L34.7Very low32.4Very low144 Ų144133 Ų13375%0.75471%0.709SS**Hα-helixtrans-79.6-27.2177.7-74.6165.1000112.9R317 L318R317-L320 PolarHBondContact O-N 3.03Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 PolarHBondContact O-N 2.92Å
321A30.6Very low32.1Very low47 Ų47130.8 Ų130.839%0.38871%0.705SS.*Hα-helixtrans-74.7-44.2-176.600000113.1R317 L318 R323 S324R317-A321 PolarHBondContact O-N 3.2Å; L318-A321 PolarHBondContact O-N 3.25Å; A321-R323 PolarHBondContact O-N 3.35Å; A321-S324 PolarHBondContact O-N 3.32Å; A321-S324 VanDerWaalsContact O-N 3.16Å; A321-S324 PolarHBondContact O-OG 3.3Å
322V32Very low31.6Very low116 Ų116135 Ų13570%0.70371%0.714SS**THydrogen-bonded Turntrans-63.2-19.8-174.6177.40000113.2S324V322-S324 VanDerWaalsContact C-N 3.31Å; V322-S324 PolarHBondContact O-N 3.42Å
323R27.3Very low30.8Very low232 Ų232139.5 Ų139.588%0.87573%0.732SS**THydrogen-bonded Turntrans-81.7-5.4-179.2-156166.3177.5174.8-1.2114.2A321A321-R323 PolarHBondContact O-N 3.35Å
324S32.7Very low30.1Very low84 Ų84138.2 Ų138.259%0.58773%0.729SS**SBendtrans-105.5-14.7-172.367.50000116.2A321 V322 S326A321-S324 PolarHBondContact O-N 3.32Å; A321-S324 VanDerWaalsContact O-N 3.16Å; A321-S324 PolarHBondContact O-OG 3.3Å; V322-S324 VanDerWaalsContact C-N 3.31Å; V322-S324 PolarHBondContact O-N 3.42Å; S324-S326 VanDerWaalsContact C-N 3.29Å; S324-S326 PolarHBondContact O-N 3.46Å
325E28.7Very low29.7Very low161 Ų161143.3 Ų143.375%0.75274%0.742SS**THydrogen-bonded Turntrans-80.2-1.1-172.9-68.1-179.6170.900114.9L327E325-L327 PolarHBondContact O-N 2.81Å
326S30.2Very low29.1Very low109 Ų109147.1 Ų147.176%0.76276%0.757SS**THydrogen-bonded Turntrans-81.6-9.5-174.6-173.50000115S324S324-S326 VanDerWaalsContact C-N 3.29Å; S324-S326 PolarHBondContact O-N 3.46Å
327L31.5Very low28.7Very low158 Ų158148.7 Ų148.783%0.82777%0.765SS**SBendtrans-121.58.1-163.5-75.9170.4000118E325E325-L327 PolarHBondContact O-N 2.81Å
328T30.4Very low28.5Very low125 Ų125145.1 Ų145.177%0.76777%0.767SS**  trans-113.68-17154.50000117.1T330T328-T330 PolarHBondContact O-N 2.87Å
329S26.4Very low28Very low118 Ų118148.1 Ų148.183%0.82578%0.778SS**THydrogen-bonded Turntrans-86.213.8-173.160.70000117.5
330T28.8Very low27.9Very low125 Ų125144.3 Ų144.377%0.76778%0.782SS**THydrogen-bonded Turntrans-120.86.6-167.7-17.50000118.3T328T328-T330 PolarHBondContact O-N 2.87Å
331I28.2Very low27.4Very low167 Ų167146.8 Ų146.886%0.85679%0.789SS**  trans-128.933.9-169.2-42.7-179.6000115.1
332E24.9Very low27.1Very low187 Ų187152.5 Ų152.587%0.87481%0.811SS**  trans-101.12.9-176.5-117.6-179-178.300118.1
333N24.2Very low26.8Very low164 Ų164153.4 Ų153.488%0.87782%0.817SS**  trans-118.345.4-164.9-72.5-14.6000118.3
334S22.8Very low26.8Very low94 Ų94150.4 Ų150.466%0.65781%0.813SS**  trans-161.684.9170.4170.80000113.5
335W23.7Very low26.5Very low244 Ų244152.1 Ų152.192%0.92482%0.822SS**  trans-171.486.6150.3-78.9113.4000110.3
336F20.6Very low26.4Very low212 Ų212149.8 Ų149.893%0.9382%0.822SS**  trans-144.1119.5166.8-107.1-87.4000108.7
337I25.9Very low26.3Very low162 Ų162154.8 Ų154.883%0.83183%0.83SS**  trans-143.1136.1166.3-59-175.8000109.7
338P28.7Very low26.3Very low124 Ų124155.8 Ų155.881%0.80583%0.83SS**  trans-103.2164.1-164.813.79.5000115.4
339E25.8Very low26.6Very low179 Ų179155.6 Ų155.684%0.83683%0.831SS**  trans-75.1145.7-179.3-63.6-170.4156.100113.7
340G27.2Very low27.1Very low79 Ų79154.4 Ų154.481%0.81483%0.829SS**  trans-157.3145.7175.200000114.2
341E24.2Very low27.3Very low196 Ų196154.5 Ų154.592%0.91683%0.832SS**  trans-62.6157.5-155.3-81.5174.1128.300120.9
342I25Very low27.6Very low166 Ų166155.6 Ų155.685%0.85183%0.833SS**  trans-85.2123.6-176.1-61.4163.1000110.5
343V26.3Very low28.8Very low135 Ų135159.9 Ų159.982%0.81885%0.848SS**  trans-128.2130.5165.1-1800000110.6
344Q26.1Very low29.1Very low169 Ų169159.7 Ų159.779%0.7985%0.847SS**PPolyproline II helixtrans-65.8160.8-174.1-77.4-178.6-2700114.8
345P27.7Very low29.4Very low120 Ų120163.2 Ų163.278%0.77986%0.857SS**PPolyproline II helixtrans-84.8128.1-167.67.510.3000113
346C25.4Very low29.7Very low112 Ų112158.7 Ų158.776%0.75785%0.853SS**PPolyproline II helixtrans-79.1129170.8-66.60000111
347K28.8Very low30.3Very low214 Ų214155.5 Ų155.593%0.9385%0.849SS**PPolyproline II helixtrans-75.8121.3172-69.5177.8177.1178.90109.6
348H31.2Very low30.5Very low179 Ų179155.1 Ų155.183%0.82985%0.85SS**PPolyproline II helixtrans-86.6152.8172.9-88-75.3000112.1
349P36.6Very low30.7Very low121 Ų121157.2 Ų157.279%0.78685%0.853SS**PPolyproline II helixtrans-91.3158.2-163.636.3-34.6000114.6
350A36.4Very low31Very low94 Ų94155.6 Ų155.678%0.77785%0.854SS**PPolyproline II helixtrans-73.5152.4-175.900000113.7
351P34.6Very low31.3Very low127 Ų127161.5 Ų161.583%0.82586%0.857SS**PPolyproline II helixtrans-84.5148.5-166.234.5-36000114
352H34.1Very low31.9Very low190 Ų190158.7 Ų158.788%0.8885%0.852SS**PPolyproline II helixtrans-55.1143.1175.2-79.4-90.1000113.8
353K50.8Low32.5Very low277 Ų277158 Ų158100%1.20485%0.852SS**  trans-111.10149.5-92.6-170.7176.7-176.60108.8

Retrieved 353 of 353 residues in 990 ms (Link to these results)