A0A077Z817_TRITR Loading...

SAYSvFN domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z817, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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
1M71.3Confident85.4Confident195 Ų195119.5 Ų119.596%0.96159%0.587SS**  0-45.20-82-141.9-78.100112.3S3 V4 R5M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.11Å; M1-V4 PolarHBondContact O-N 3.4Å; M1-V4 VanDerWaalsContact O-N 3.16Å; M1-R5 PolarHBondContact O-N 2.63Å
2E85.6Confident85.8Confident165 Ų165122.8 Ų122.877%0.77159%0.588SS**Hα-helixtrans-62.9-36.5-178.4-61.8178.4142.300113.2V4 R5 A6E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 2.99Å; E2-R5 WeakPolarHBondContact O-CB 3.39Å; E2-R5 PolarHBondContact O-N 3.28Å; E2-A6 PolarHBondContact O-N 3.09Å; E2-A6 VanDerWaalsContact O-N 3.11Å
3S82.5Confident86.1Confident77 Ų77126.6 Ų126.654%0.53859%0.593SS.*Hα-helixtrans-45.8-50.3168.249.80000113.2M1 R5 A6 E7M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.11Å; S3-R5 VanDerWaalsContact C-N 3.25Å; S3-R5 PolarHBondContact O-N 3Å; S3-A6 WeakPolarHBondContact O-CB 3.42Å; S3-A6 PolarHBondContact O-N 3.29Å; S3-A6 VanDerWaalsContact O-N 3.09Å; S3-E7 WeakPolarHBondContact O-CG 3.23Å; S3-E7 PolarHBondContact O-N 3.16Å
4V83.2Confident86Confident77 Ų77125.9 Ų125.947%0.46759%0.587SS.*Hα-helixtrans-65.4-28.2-178.7-171.80000112.2M1 E2 E7 L8M1-V4 PolarHBondContact O-N 3.4Å; M1-V4 VanDerWaalsContact O-N 3.16Å; E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 2.99Å; V4-E7 WeakPolarHBondContact CA-OE2 3.42Å; V4-L8 HydrophobicContact CG1-CD1 4.4Å; V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 3.36Å; V4-L8 VanDerWaalsContact O-N 3.14Å
5R87.7Confident85.8Confident182 Ų182125.6 Ų125.669%0.68758%0.583SS**Hα-helixtrans-72.4-41.4173.4-67.1-175.9174.9177-1.9111.3M1 E2 S3 L8 E9M1-R5 PolarHBondContact O-N 2.63Å; E2-R5 WeakPolarHBondContact O-CB 3.39Å; E2-R5 PolarHBondContact O-N 3.28Å; S3-R5 VanDerWaalsContact C-N 3.25Å; S3-R5 PolarHBondContact O-N 3Å; R5-L8 PolarHBondContact O-N 2.9Å; R5-E9 PolarHBondContact O-N 3.37Å
6A90.1Very high85.7Confident56 Ų56123.1 Ų123.146%0.46358%0.579SS.*Hα-helixtrans-60.4-45.6173.900000111.3E2 S3 L8 E9 E10E2-A6 PolarHBondContact O-N 3.09Å; E2-A6 VanDerWaalsContact O-N 3.11Å; S3-A6 WeakPolarHBondContact O-CB 3.42Å; S3-A6 PolarHBondContact O-N 3.29Å; S3-A6 VanDerWaalsContact O-N 3.09Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.49Å; A6-E9 PolarHBondContact O-N 3.46Å; A6-E9 VanDerWaalsContact O-N 3.15Å; A6-E10 PolarHBondContact O-N 2.89Å
7E86.8Confident85.3Confident121 Ų121121.6 Ų121.657%0.56558%0.575SS**Hα-helixtrans-58.1-40.9175.3-68.5175.3121.200112.8S3 V4 E10 Y11S3-E7 WeakPolarHBondContact O-CG 3.23Å; S3-E7 PolarHBondContact O-N 3.16Å; V4-E7 WeakPolarHBondContact CA-OE2 3.42Å; E7-E10 PolarHBondContact O-N 3.15Å; E7-Y11 WeakPolarHBondContact O-CB 3.39Å; E7-Y11 PolarHBondContact O-N 3.14Å
8L87.5Confident84.9Confident94 Ų94120.9 Ų120.949%0.49257%0.574SS.*Hα-helixtrans-72.4-23.7177.7-78.3168.7000114.3V4 R5 A6 R12V4-L8 HydrophobicContact CG1-CD1 4.4Å; V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 3.36Å; V4-L8 VanDerWaalsContact O-N 3.14Å; R5-L8 PolarHBondContact O-N 2.9Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.49Å; L8-R12 PolarHBondContact O-N 3.42Å; L8-R12 PolarHBondContact O-NE 3.45Å
9E92.4Very high84.4Confident102 Ų102118.6 Ų118.648%0.47757%0.572SS.*Hα-helixtrans-81-41.2170.7-73.9-171.5-158.600111.7R5 A6 Y11 R12 R13R5-E9 PolarHBondContact O-N 3.37Å; A6-E9 PolarHBondContact O-N 3.46Å; A6-E9 VanDerWaalsContact O-N 3.15Å; E9-Y11 VanDerWaalsContact C-N 3.32Å; E9-Y11 PolarHBondContact O-N 3.29Å; E9-R12 PolarHBondContact O-N 3.45Å; E9-R13 WeakPolarHBondContact O-CG 3.35Å; E9-R13 PolarHBondContact O-N 3.05Å
10E87.2Confident83.8Confident100 Ų100119 Ų11947%0.46757%0.573SS.*Hα-helixtrans-55.4-47.3169.2-81-164.6-158.800111.7A6 E7 R12 R13 K14A6-E10 PolarHBondContact O-N 2.89Å; E7-E10 PolarHBondContact O-N 3.15Å; E10-R12 VanDerWaalsContact C-N 3.32Å; E10-R12 PolarHBondContact O-N 3.06Å; E10-R13 PolarHBondContact O-N 2.9Å; E10-K14 WeakPolarHBondContact O-CB 3.48Å; E10-K14 VanDerWaalsContact O-CG 3.23Å; E10-K14 WeakPolarHBondContact O-CG 3.38Å; E10-K14 PolarHBondContact O-N 3.38Å; E10-K14 WeakPolarHBondContact OE2-CE 3.42Å; E10-K14 IonicContact OE2-NZ 2.85Å; E10-K14 PolarHBondContact OE2-NZ 3.36Å
11Y84.9Confident82.9Confident146 Ų146119.5 Ų119.557%0.57357%0.574SS**Hα-helixtrans-57.9-43178.8177.2-105.4000112.4E7 E9 K14 K15E7-Y11 WeakPolarHBondContact O-CB 3.39Å; E7-Y11 PolarHBondContact O-N 3.14Å; E9-Y11 VanDerWaalsContact C-N 3.32Å; E9-Y11 PolarHBondContact O-N 3.29Å; Y11-K14 PolarHBondContact O-N 3.33Å; Y11-K15 PolarHBondContact O-N 3.27Å
12R90.1Very high82.5Confident158 Ų158118.5 Ų118.560%0.59657%0.567SS**Hα-helixtrans-67.4-39.1176.8-82.2-179.1-76.2-179.50.3112.5L8 E9 E10 K15 T16L8-R12 PolarHBondContact O-N 3.42Å; L8-R12 PolarHBondContact O-NE 3.45Å; E9-R12 PolarHBondContact O-N 3.45Å; E10-R12 VanDerWaalsContact C-N 3.32Å; E10-R12 PolarHBondContact O-N 3.06Å; R12-K15 PolarHBondContact O-N 3.42Å; R12-T16 PolarHBondContact O-N 3.12Å; R12-T16 PolarHBondContact O-OG1 3.31Å
13R89.7Confident81.2Confident173 Ų173119.7 Ų119.765%0.65357%0.57SS**Hα-helixtrans-60.9-49172.7-68.2173.3-170.9-123.95.2111E9 E10 K15 T16 I17E9-R13 WeakPolarHBondContact O-CG 3.35Å; E9-R13 PolarHBondContact O-N 3.05Å; E10-R13 PolarHBondContact O-N 2.9Å; R13-K15 VanDerWaalsContact C-N 3.33Å; R13-K15 PolarHBondContact O-N 3.48Å; R13-T16 PolarHBondContact O-N 3.48Å; R13-I17 WeakPolarHBondContact O-CG1 3.38Å; R13-I17 PolarHBondContact O-N 2.98Å
14K85Confident79.7Confident116 Ų116124.2 Ų124.250%0.50458%0.58SS.*Hα-helixtrans-56.7-43177.8-70.1164.7-171.7172.50111.8E10 Y11 I17 L18E10-K14 WeakPolarHBondContact O-CB 3.48Å; E10-K14 VanDerWaalsContact O-CG 3.23Å; E10-K14 WeakPolarHBondContact O-CG 3.38Å; E10-K14 PolarHBondContact O-N 3.38Å; E10-K14 WeakPolarHBondContact OE2-CE 3.42Å; E10-K14 IonicContact OE2-NZ 2.85Å; E10-K14 PolarHBondContact OE2-NZ 3.36Å; Y11-K14 PolarHBondContact O-N 3.33Å; K14-I17 PolarHBondContact O-N 3.38Å; K14-L18 PolarHBondContact O-N 2.86Å
15K83.7Confident78Confident122 Ų122125 Ų12553%0.5359%0.587SS.*Hα-helixtrans-64.6-43.4177.6-174.2171.3-179.8175.20113.6Y11 R12 R13 I17 L18 C19Y11-K15 PolarHBondContact O-N 3.27Å; R12-K15 PolarHBondContact O-N 3.42Å; R13-K15 VanDerWaalsContact C-N 3.33Å; R13-K15 PolarHBondContact O-N 3.48Å; K15-I17 VanDerWaalsContact C-N 3.3Å; K15-I17 PolarHBondContact O-N 3.44Å; K15-L18 PolarHBondContact O-N 3.42Å; K15-C19 PolarHBondContact O-N 3.28Å
16T83.5Confident76.4Confident86 Ų86123.5 Ų123.553%0.52859%0.591SS.*Hα-helixtrans-64.4-35.9-179.8-57.80000112.2R12 R13 C19 Q20R12-T16 PolarHBondContact O-N 3.12Å; R12-T16 PolarHBondContact O-OG1 3.31Å; R13-T16 PolarHBondContact O-N 3.48Å; T16-C19 PolarHBondContact O-N 2.99Å; T16-Q20 PolarHBondContact O-N 3.21Å
17I79.8Confident74.7Confident98 Ų98129.5 Ų129.550%0.50361%0.609SS.*Hα-helixtrans-64.5-45.7177.7-65.4163.6000111R13 K14 K15 C19 Q20 Q21R13-I17 WeakPolarHBondContact O-CG1 3.38Å; R13-I17 PolarHBondContact O-N 2.98Å; K14-I17 PolarHBondContact O-N 3.38Å; K15-I17 VanDerWaalsContact C-N 3.3Å; K15-I17 PolarHBondContact O-N 3.44Å; I17-C19 VanDerWaalsContact C-N 3.33Å; I17-C19 PolarHBondContact O-N 3.2Å; I17-Q20 PolarHBondContact O-N 3.2Å; I17-Q20 VanDerWaalsContact O-N 3.09Å; I17-Q21 PolarHBondContact O-N 3.47Å
18L77.4Confident72.7Confident108 Ų108133.5 Ų133.557%0.56563%0.625SS**Hα-helixtrans-55.6-44.4176.3-84.4163.4000112.6K14 K15 Q20 Q21 Q22K14-L18 PolarHBondContact O-N 2.86Å; K15-L18 PolarHBondContact O-N 3.42Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.28Å; L18-Q21 PolarHBondContact O-N 3.24Å; L18-Q22 PolarHBondContact O-N 3.28Å; L18-Q22 VanDerWaalsContact O-N 3.1Å
19C75.9Confident70.9Confident77 Ų77133.3 Ų133.352%0.5264%0.636SS.*Hα-helixtrans-65.9-32.8177.8-64.40000112.9K15 T16 I17 K23K15-C19 PolarHBondContact O-N 3.28Å; T16-C19 PolarHBondContact O-N 2.99Å; I17-C19 VanDerWaalsContact C-N 3.33Å; I17-C19 PolarHBondContact O-N 3.2Å; C19-K23 PolarHBondContact O-N 2.99Å
20Q72.5Confident68.6Low127 Ų127134.7 Ų134.759%0.59365%0.651SS**Hα-helixtrans-73.8-31.4174.2-71.8-166.91.700113T16 I17 L18T16-Q20 PolarHBondContact O-N 3.21Å; I17-Q20 PolarHBondContact O-N 3.2Å; I17-Q20 VanDerWaalsContact O-N 3.09Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.28Å
21Q64.9Low66.6Low129 Ų129135.2 Ų135.260%0.60366%0.661SS**Hα-helixtrans-66.5-46.9173.8-74.9179.9-31.700111.3I17 L18 K23 K24I17-Q21 PolarHBondContact O-N 3.47Å; L18-Q21 PolarHBondContact O-N 3.24Å; Q21-K23 VanDerWaalsContact C-N 3.26Å; Q21-K23 PolarHBondContact O-N 3.1Å; Q21-K24 PolarHBondContact O-N 3.21Å
22Q61.8Low64.5Low174 Ų174136.4 Ų136.481%0.81367%0.669SS**Hα-helixtrans-62.9-28.4176.7-82.3-166.1-24.100113.9L18 K24 P25L18-Q22 PolarHBondContact O-N 3.28Å; L18-Q22 VanDerWaalsContact O-N 3.1Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 3.26Å; Q22-P25 WeakPolarHBondContact O-CD 3.41Å
23K59Low62.3Low191 Ų191135 Ų13583%0.8367%0.669SS**THydrogen-bonded Turntrans-86.15.6179-149.3-172.8175.9-176.40114.3C19 Q21C19-K23 PolarHBondContact O-N 2.99Å; Q21-K23 VanDerWaalsContact C-N 3.26Å; Q21-K23 PolarHBondContact O-N 3.1Å
24K51.5Low59.9Low172 Ų172133.6 Ų133.675%0.74868%0.675SS**  trans-103.2-12.8-173.3-103.1-177.6173-178.20119.4Q21 Q22Q21-K24 PolarHBondContact O-N 3.21Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 3.26Å
25P47.3Very low57.7Low94 Ų94132.9 Ų132.961%0.6168%0.684SS**SBendtrans-94122.5176.233.6-28.9000112.2Q22Q22-P25 WeakPolarHBondContact O-CD 3.41Å
26I53.5Low55.6Low150 Ų150135.6 Ų135.677%0.76970%0.698SS**SBendtrans165.9-41.4149.3-91.4156.2000110.6K28I26-K28 VanDerWaalsContact C-N 3.34Å; I26-K28 PolarHBondContact O-N 3.23Å; I26-K28 VanDerWaalsContact O-N 3.11Å
27E54.3Low53.7Low181 Ų181139.7 Ų139.785%0.84671%0.711SS**THydrogen-bonded Turntrans-64.7-22.7-158-165.3175.1-171.800116.7
28K45.3Very low52.1Low206 Ų206139.9 Ų139.990%0.89672%0.719SS**THydrogen-bonded Turntrans-100.74.8-165.5-66.1-165.2172.5-1660116.8I26I26-K28 VanDerWaalsContact C-N 3.34Å; I26-K28 PolarHBondContact O-N 3.23Å; I26-K28 VanDerWaalsContact O-N 3.11Å
29A49.4Very low50.4Low89 Ų89140 Ų14074%0.73672%0.724SS**  trans-90.1-10.1-171.800000115.3V31A29-V31 PolarHBondContact O-N 3.31Å
30V44.4Very low49Very low131 Ų131146.9 Ų146.979%0.79474%0.739SS**SBendtrans-9691.1-175.8-1760000111.7
31V44.9Very low48Very low111 Ų111148.7 Ų148.767%0.67375%0.748SS**  trans6293.4139.3-174.50000117.9A29A29-V31 PolarHBondContact O-N 3.31Å
32K40.8Very low47.6Very low172 Ų172148.7 Ų148.775%0.74875%0.75SS**  68.7160.1129.1-67.4-175.6171.9-85.90120.7
33E43.4Very low47.3Very low127 Ų127147.9 Ų147.959%0.59375%0.747SS**  cis-180114-26.2178.4171.9169.900108.3
34N38.9Very low46.9Very low144 Ų144147.2 Ų147.277%0.7775%0.746SS**  trans64.6156.4171.7-54.6-27.4000117.1
35C40.6Very low47Very low102 Ų102145.3 Ų145.369%0.68975%0.749SS**  cis-126.2161.87.4-55.50000113.4
36E38.1Very low47.3Very low178 Ų178146.3 Ų146.383%0.83275%0.753SS**  trans50.6132.7151.1-68.1154.9106.100120
37E44.9Very low47.1Very low173 Ų173147.6 Ų147.681%0.80876%0.756SS**  cis-169.5179.2-8.9-143.5-166.3-177.800108.2
38P45.3Very low46.9Very low102 Ų102148.5 Ų148.566%0.66276%0.76SS**  -93.7177.3-73.523.9-3.3000113.7
39V42.5Very low46.9Very low111 Ų111144.4 Ų144.467%0.67376%0.757SS**  178.3117.475.1169.10000113.3
40R46.6Very low46.9Very low221 Ų221147.6 Ų147.683%0.83476%0.762SS**  trans80.9101.2151.2-60.5167.9-161-1553.7127.7
41Q51.6Low47.2Very low165 Ų165147.4 Ų147.477%0.77176%0.761SS**  trans76.6162.1134.7-63.6162.8-93.800124.4
42I56.1Low47.7Very low128 Ų128146.2 Ų146.266%0.65676%0.763SS**  cis-165.6-179.8-8.4-102.4171.5000115.6
43E55.3Low48.5Very low158 Ų158146.9 Ų146.974%0.73877%0.769SS**  trans-126.20-159.7-4174.3-157.200118.5
44E50.3Low49.3Very low177 Ų177145.3 Ų145.383%0.82777%0.767SS**  0-175.80-106.2-65.8-9.600116.2
45V52.7Low50.1Low131 Ų131146.5 Ų146.579%0.79477%0.766SS**  trans89.70156.1146.40000125.4
46V54.2Low51.4Low116 Ų116144.8 Ų144.870%0.70376%0.759SS**  0159093.40000119.2
47E50.1Low53.5Low177 Ų177139.5 Ų139.583%0.82774%0.739SS**  trans66.3162.8158.3-59.1-43.9-98.700132
48E49.7Very low55.5Low200 Ų200134.3 Ų134.394%0.93572%0.719SS**  trans-157.2167.6-169-170.6174.9-101.400119.7
49S45.4Very low57.6Low119 Ų119133.7 Ų133.783%0.83271%0.713SS**  trans-169.4125.2170.6164.50000121.8
50D48.7Very low59.9Low157 Ų157132.3 Ų132.384%0.8470%0.702SS**  trans-175.1150.6153.4-141.3-21.4000115.5
51T50.1Low62Low127 Ų127128.7 Ų128.778%0.77969%0.688SS**  trans-152.7-4-172.559.20000124.9
52A57.3Low63.9Low86 Ų86126 Ų12671%0.71168%0.678SS**G310 helixtrans-72.1-39.5-15700000120.1V54A52-V54 PolarHBondContact O-N 2.83Å
53E57.4Low65.6Low185 Ų185125.2 Ų125.286%0.86467%0.672SS**G310 helixtrans-81.9-9.2-158.5-58.4-163.9135.900116.6K55E53-K55 VanDerWaalsContact C-N 3.26Å; E53-K55 PolarHBondContact O-N 3.24Å
54V59.4Low67.4Low94 Ų94123.6 Ų123.657%0.5766%0.663SS**G310 helixtrans-62.3-26.2-161.3-174.90000114.8A52 A56 T57A52-V54 PolarHBondContact O-N 2.83Å; V54-A56 PolarHBondContact O-N 3.43Å; V54-T57 PolarHBondContact O-N 3.19Å; V54-T57 PolarHBondContact O-OG1 2.89Å
55K56.8Low69.4Low170 Ų170120 Ų12074%0.73965%0.648SS**G310 helixtrans-63.5-43.3-159.1-67.6177.6-179172.70115.2E53 T57 V58 V59E53-K55 VanDerWaalsContact C-N 3.26Å; E53-K55 PolarHBondContact O-N 3.24Å; K55-T57 VanDerWaalsContact C-N 3.3Å; K55-T57 PolarHBondContact O-N 2.94Å; K55-V58 PolarHBondContact O-N 3.09Å; K55-V58 VanDerWaalsContact O-N 3.12Å; K55-V59 PolarHBondContact O-N 2.82Å
56A67.4Low71.4Confident66 Ų66118.4 Ų118.455%0.54563%0.634SS.*Hα-helixtrans-58.6-42.6-175.400000112.1V54 V58 V59 D60V54-A56 PolarHBondContact O-N 3.43Å; A56-V58 PolarHBondContact O-N 3.24Å; A56-V58 VanDerWaalsContact O-N 3.09Å; A56-V59 PolarHBondContact O-N 3.45Å; A56-D60 PolarHBondContact O-N 3.49Å; A56-D60 VanDerWaalsContact O-N 3.12Å
57T81.6Confident73.3Confident67 Ų67117.7 Ų117.741%0.41163%0.626SS.*Hα-helixtrans-61.3-22.7-179.277.20000113.8V54 K55 R61V54-T57 PolarHBondContact O-N 3.19Å; V54-T57 PolarHBondContact O-OG1 2.89Å; K55-T57 VanDerWaalsContact C-N 3.3Å; K55-T57 PolarHBondContact O-N 2.94Å; T57-R61 WeakPolarHBondContact O-CG 3.48Å; T57-R61 PolarHBondContact O-NE 3.09Å; T57-R61 PolarHBondContact OG1-NH2 3.48Å
58V87.3Confident75.4Confident64 Ų64116.4 Ų116.439%0.38862%0.618SS.*Hα-helixtrans-83.7-43.5-179.9-178.30000109.9K55 A56 R61 L62K55-V58 PolarHBondContact O-N 3.09Å; K55-V58 VanDerWaalsContact O-N 3.12Å; A56-V58 PolarHBondContact O-N 3.24Å; A56-V58 VanDerWaalsContact O-N 3.09Å; V58-R61 PolarHBondContact O-N 3.36Å; V58-L62 HydrophobicContact CG1-CD1 3.99Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 WeakPolarHBondContact O-CG 3.29Å; V58-L62 PolarHBondContact O-N 3.34Å
59V89.7Confident77.5Confident88 Ų88110 Ų11053%0.53359%0.593SS.*Hα-helixtrans-60.5-47176.2-177.90000110.7K55 A56 R61 L62 Q63K55-V59 PolarHBondContact O-N 2.82Å; A56-V59 PolarHBondContact O-N 3.45Å; V59-R61 VanDerWaalsContact C-N 3.29Å; V59-R61 PolarHBondContact O-N 3.12Å; V59-L62 PolarHBondContact O-N 3.37Å; V59-Q63 WeakPolarHBondContact O-CB 3.35Å; V59-Q63 PolarHBondContact O-N 3.11Å
60D89.9Confident79.8Confident83 Ų83109.1 Ų109.144%0.44458%0.578SS.*Hα-helixtrans-58.7-39.2176.8-77.4-15.1000113.1A56 K64A56-D60 PolarHBondContact O-N 3.49Å; A56-D60 VanDerWaalsContact O-N 3.12Å; D60-K64 WeakPolarHBondContact O-CB 3.35Å; D60-K64 VanDerWaalsContact O-CD 3.29Å; D60-K64 WeakPolarHBondContact O-CD 3.38Å; D60-K64 VanDerWaalsContact O-CG 3.23Å; D60-K64 WeakPolarHBondContact O-CG 3.45Å; D60-K64 PolarHBondContact O-N 3.1Å; D60-K64 VanDerWaalsContact O-N 3.1Å
61R90.9Very high82Confident144 Ų144106.3 Ų106.354%0.54356%0.563SS.*Hα-helixtrans-71-43.8178.1-80.5-178.1-77.8-176-3.5111.1T57 V58 V59 K64 I65T57-R61 WeakPolarHBondContact O-CG 3.48Å; T57-R61 PolarHBondContact O-NE 3.09Å; T57-R61 PolarHBondContact OG1-NH2 3.48Å; V58-R61 PolarHBondContact O-N 3.36Å; V59-R61 VanDerWaalsContact C-N 3.29Å; V59-R61 PolarHBondContact O-N 3.12Å; R61-K64 PolarHBondContact O-N 3.32Å; R61-I65 WeakPolarHBondContact O-CB 3.22Å; R61-I65 WeakPolarHBondContact O-CD1 3.25Å; R61-I65 VanDerWaalsContact O-CG1 3.25Å; R61-I65 WeakPolarHBondContact O-CG1 3.46Å; R61-I65 PolarHBondContact O-N 2.83Å
62L92.7Very high84.1Confident108 Ų108104.4 Ų104.457%0.56554%0.541SS*.Hα-helixtrans-61.4-44.9175.1-72.9171.5000111.6V58 V59 K64 I65 L66V58-L62 HydrophobicContact CG1-CD1 3.99Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 WeakPolarHBondContact O-CG 3.29Å; V58-L62 PolarHBondContact O-N 3.34Å; V59-L62 PolarHBondContact O-N 3.37Å; L62-K64 PolarHBondContact O-N 3.31Å; L62-I65 PolarHBondContact O-N 2.96Å; L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 PolarHBondContact O-N 3.38Å
63Q91.8Very high85.8Confident113 Ų113104.3 Ų104.353%0.52853%0.529SS..Hα-helixtrans-60.9-44.7176.9-179.2176.7-17.700111.8V59 L66 L67V59-Q63 WeakPolarHBondContact O-CB 3.35Å; V59-Q63 PolarHBondContact O-N 3.11Å; Q63-L66 PolarHBondContact O-N 3.3Å; Q63-L67 HydrophobicContact CG-CD1 4.13Å; Q63-L67 WeakPolarHBondContact O-CB 3.5Å; Q63-L67 VanDerWaalsContact O-CG 3.29Å; Q63-L67 WeakPolarHBondContact O-CG 3.29Å; Q63-L67 PolarHBondContact O-N 2.94Å
64K92.6Very high87.6Confident123 Ų123100.5 Ų100.554%0.53551%0.514SS..Hα-helixtrans-62.1-45.7176.1-73.8161.9-172158.70111.6D60 R61 L62 L67 F68D60-K64 WeakPolarHBondContact O-CB 3.35Å; D60-K64 VanDerWaalsContact O-CD 3.29Å; D60-K64 WeakPolarHBondContact O-CD 3.38Å; D60-K64 VanDerWaalsContact O-CG 3.23Å; D60-K64 WeakPolarHBondContact O-CG 3.45Å; D60-K64 PolarHBondContact O-N 3.1Å; D60-K64 VanDerWaalsContact O-N 3.1Å; R61-K64 PolarHBondContact O-N 3.32Å; L62-K64 PolarHBondContact O-N 3.31Å; K64-L67 PolarHBondContact O-N 3.4Å; K64-F68 WeakPolarHBondContact O-CD2 3.23Å; K64-F68 PolarHBondContact O-N 3.38Å; K64-F68 VanDerWaalsContact O-N 3.16Å
65I92.3Very high89.2Confident103 Ų10399.8 Ų99.853%0.52851%0.506SS..Hα-helixtrans-61-46.8176.4-68.5163.8000110.6R61 L62 L67 F68 T69R61-I65 WeakPolarHBondContact O-CB 3.22Å; R61-I65 WeakPolarHBondContact O-CD1 3.25Å; R61-I65 VanDerWaalsContact O-CG1 3.25Å; R61-I65 WeakPolarHBondContact O-CG1 3.46Å; R61-I65 PolarHBondContact O-N 2.83Å; L62-I65 PolarHBondContact O-N 2.96Å; I65-L67 PolarHBondContact O-N 2.92Å; I65-F68 PolarHBondContact O-N 3.17Å; I65-T69 HydrophobicContact CG2-CG2 4.31Å; I65-T69 WeakPolarHBondContact O-CG2 3.43Å; I65-T69 PolarHBondContact O-N 3.1Å; I65-T69 PolarHBondContact O-OG1 3.16Å
66L93.9Very high90.9Very high96 Ų9693.2 Ų93.250%0.50348%0.479SS..Hα-helixtrans-62-41.1-179.5-172.8155.7000112.2L62 Q63 T69 L70L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 PolarHBondContact O-N 3.38Å; Q63-L66 PolarHBondContact O-N 3.3Å; L66-T69 WeakPolarHBondContact CA-OG1 3.13Å; L66-T69 PolarHBondContact O-N 3.46Å; L66-T69 PolarHBondContact O-OG1 2.69Å; L66-T69 VanDerWaalsContact O-OG1 3.1Å; L66-L70 HydrophobicContact CD2-CD1 3.58Å; L66-L70 HydrophobicContact CD2-CG 4.08Å; L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 WeakPolarHBondContact O-CG 3.12Å; L66-L70 PolarHBondContact O-N 3.46Å
67L94.7Very high92.1Very high102 Ų10293.9 Ų93.953%0.53448%0.479SS..Hα-helixtrans-62.3-43.4174.4-72.9166.5000111.8Q63 K64 I65 L71Q63-L67 HydrophobicContact CG-CD1 4.13Å; Q63-L67 WeakPolarHBondContact O-CB 3.5Å; Q63-L67 VanDerWaalsContact O-CG 3.29Å; Q63-L67 WeakPolarHBondContact O-CG 3.29Å; Q63-L67 PolarHBondContact O-N 2.94Å; K64-L67 PolarHBondContact O-N 3.4Å; I65-L67 PolarHBondContact O-N 2.92Å; L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 PolarHBondContact O-N 3.14Å
68F93.6Very high92.6Very high149 Ų14994.8 Ų94.865%0.65449%0.485SS*.Hα-helixtrans-68.5-37.1176.3-76-61.5000113K64 I65 L71 W72K64-F68 WeakPolarHBondContact O-CD2 3.23Å; K64-F68 PolarHBondContact O-N 3.38Å; K64-F68 VanDerWaalsContact O-N 3.16Å; I65-F68 PolarHBondContact O-N 3.17Å; F68-L71 PolarHBondContact O-N 2.76Å; F68-W72 WeakPolarHBondContact O-CB 3.47Å; F68-W72 PolarHBondContact O-N 2.87Å
69T93.3Very high92.9Very high65 Ų6592.3 Ų92.340%0.39947%0.471SS..Hα-helixtrans-71.8-37.6177.256.20000112.3I65 L66 W72 L73I65-T69 HydrophobicContact CG2-CG2 4.31Å; I65-T69 WeakPolarHBondContact O-CG2 3.43Å; I65-T69 PolarHBondContact O-N 3.1Å; I65-T69 PolarHBondContact O-OG1 3.16Å; L66-T69 WeakPolarHBondContact CA-OG1 3.13Å; L66-T69 PolarHBondContact O-N 3.46Å; L66-T69 PolarHBondContact O-OG1 2.69Å; L66-T69 VanDerWaalsContact O-OG1 3.1Å; T69-W72 PolarHBondContact O-N 3.2Å; T69-L73 WeakPolarHBondContact O-CB 3.46Å; T69-L73 VanDerWaalsContact O-CG 3.29Å; T69-L73 WeakPolarHBondContact O-CG 3.4Å; T69-L73 PolarHBondContact O-N 3.12Å
70L95Very high93Very high101 Ų10193.2 Ų93.253%0.52947%0.472SS..Hα-helixtrans-62.9-41.9171.8-74.4-178.1000112L66 L73 L74L66-L70 HydrophobicContact CD2-CD1 3.58Å; L66-L70 HydrophobicContact CD2-CG 4.08Å; L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 WeakPolarHBondContact O-CG 3.12Å; L66-L70 PolarHBondContact O-N 3.46Å; L70-L73 PolarHBondContact O-N 2.85Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 3.34Å
71L94.8Very high93.2Very high98 Ų9899.2 Ų99.251%0.51349%0.49SS..Hα-helixtrans-63.2-41.8175.5-178.961000111.7L67 F68 L74 L75L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 PolarHBondContact O-N 3.14Å; F68-L71 PolarHBondContact O-N 2.76Å; L71-L74 PolarHBondContact O-N 3.48Å; L71-L75 HydrophobicContact CD1-CD1 4.06Å; L71-L75 HydrophobicContact CG-CD1 4.48Å; L71-L75 WeakPolarHBondContact O-CD1 3.44Å; L71-L75 PolarHBondContact O-N 2.87Å
72W93.2Very high93.3Very high87 Ų8797 Ų9733%0.3349%0.492SS..Hα-helixtrans-64.4-41.1175178.779.7000112.4F68 T69 L74 L75 L76 Y88 S92F68-W72 WeakPolarHBondContact O-CB 3.47Å; F68-W72 PolarHBondContact O-N 2.87Å; T69-W72 PolarHBondContact O-N 3.2Å; W72-L74 VanDerWaalsContact C-N 3.34Å; W72-L75 PolarHBondContact O-N 2.97Å; W72-L76 HydrophobicContact CH2-CD2 4.27Å; W72-L76 HydrophobicContact CZ3-CD2 4.36Å; W72-L76 WeakPolarHBondContact O-CB 3.38Å; W72-L76 PolarHBondContact O-N 3.23Å; W72-Y88 AromaticContact CD1-CE1 3.82Å; W72-Y88 AromaticContact CD1-CZ 3.84Å; W72-Y88 AromaticContact CE2-CE1 3.99Å; W72-Y88 AromaticContact NE1-CE1 3.45Å; W72-Y88 AromaticContact NE1-CZ 3.84Å; W72-S92 WeakPolarHBondContact CZ2-OG 3.41Å; W72-S92 VanDerWaalsContact NE1-CB 3.31Å; W72-S92 PolarHBondContact NE1-OG 3.35Å
73L94.4Very high93.2Very high85 Ų85100.9 Ų100.945%0.44551%0.507SS..Hα-helixtrans-66-34.2174.3-73.3171.8000112.7T69 L70 L76 S77T69-L73 WeakPolarHBondContact O-CB 3.46Å; T69-L73 VanDerWaalsContact O-CG 3.29Å; T69-L73 WeakPolarHBondContact O-CG 3.4Å; T69-L73 PolarHBondContact O-N 3.12Å; L70-L73 PolarHBondContact O-N 2.85Å; L73-L76 HydrophobicContact CD2-CD2 4.14Å; L73-L76 PolarHBondContact O-N 3.04Å; L73-S77 WeakPolarHBondContact O-CB 3.26Å; L73-S77 PolarHBondContact O-N 3.07Å
74L94.7Very high93.2Very high105 Ų105100.9 Ų100.955%0.5551%0.505SS..Hα-helixtrans-66.3-44.8173.9-170.5154.4000110.9L70 L71 W72 L76 S77 V78L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 3.34Å; L71-L74 PolarHBondContact O-N 3.48Å; W72-L74 VanDerWaalsContact C-N 3.34Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L74-L76 PolarHBondContact O-N 2.91Å; L74-S77 WeakPolarHBondContact O-CB 3.22Å; L74-S77 PolarHBondContact O-N 3.34Å; L74-V78 HydrophobicContact CD2-CG2 4.3Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 3.35Å
75L92.3Very high93.2Very high78 Ų7895.4 Ų95.441%0.40848%0.484SS..Hα-helixtrans-62.5-39.1173-94.566.5000112.2L71 W72 S77 V78 A79 Y88L71-L75 HydrophobicContact CD1-CD1 4.06Å; L71-L75 HydrophobicContact CG-CD1 4.48Å; L71-L75 WeakPolarHBondContact O-CD1 3.44Å; L71-L75 PolarHBondContact O-N 2.87Å; W72-L75 PolarHBondContact O-N 2.97Å; L75-S77 VanDerWaalsContact C-N 3.35Å; L75-V78 PolarHBondContact O-N 3.34Å; L75-A79 WeakPolarHBondContact O-CB 3.42Å; L75-A79 PolarHBondContact O-N 2.81Å; L75-Y88 HydrophobicContact CB-CE1 4.34Å; L75-Y88 HydrophobicContact CB-CE2 4.05Å; L75-Y88 VanDerWaalsContact CB-OH 3.27Å; L75-Y88 WeakPolarHBondContact CB-OH 3.48Å; L75-Y88 HydrophobicContact CD2-CE2 4.23Å
76L92.7Very high93.1Very high33 Ų3394.8 Ų94.817%0.17349%0.488CS..Hα-helixtrans-60.8-43.1173.7178.166.3000111.4W72 L73 L74 A79 I80 Y88 A89W72-L76 HydrophobicContact CH2-CD2 4.27Å; W72-L76 HydrophobicContact CZ3-CD2 4.36Å; W72-L76 WeakPolarHBondContact O-CB 3.38Å; W72-L76 PolarHBondContact O-N 3.23Å; L73-L76 HydrophobicContact CD2-CD2 4.14Å; L73-L76 PolarHBondContact O-N 3.04Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L74-L76 PolarHBondContact O-N 2.91Å; L76-A79 PolarHBondContact O-N 3.2Å; L76-I80 HydrophobicContact CD1-CD1 4.34Å; L76-I80 HydrophobicContact CG-CD1 4.05Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 2.94Å; L76-Y88 HydrophobicContact CB-CD1 4.03Å; L76-Y88 HydrophobicContact CB-CE1 3.95Å; L76-Y88 HydrophobicContact CD1-CD1 3.79Å; L76-Y88 HydrophobicContact CD1-CE1 4.49Å; L76-A89 HydrophobicContact CD1-CB 4.36Å
77S91.8Very high93.1Very high79 Ų7993.5 Ų93.555%0.55248%0.484SS*.Hα-helixtrans-61.6-45176.3-170.80000112.2L73 L74 L75 A79 I80 Y81L73-S77 WeakPolarHBondContact O-CB 3.26Å; L73-S77 PolarHBondContact O-N 3.07Å; L74-S77 WeakPolarHBondContact O-CB 3.22Å; L74-S77 PolarHBondContact O-N 3.34Å; L75-S77 VanDerWaalsContact C-N 3.35Å; S77-A79 PolarHBondContact O-N 3.05Å; S77-I80 PolarHBondContact O-N 3.03Å; S77-Y81 PolarHBondContact O-N 3.07Å; S77-Y81 VanDerWaalsContact O-N 3.11Å
78V93.5Very high93.1Very high87 Ų8790.9 Ų90.953%0.52747%0.467SS..Hα-helixtrans-63.2-40.8173.8174.90000111.3L74 L75 I80 Y81 V82L74-V78 HydrophobicContact CD2-CG2 4.3Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 3.35Å; L75-V78 PolarHBondContact O-N 3.34Å; V78-I80 VanDerWaalsContact C-N 3.34Å; V78-I80 PolarHBondContact O-N 3.47Å; V78-Y81 PolarHBondContact O-N 3.39Å; V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 2.93Å
79A92.9Very high93.1Very high12 Ų1285.7 Ų85.710%0.09945%0.452CS..Hα-helixtrans-65.8-34.6176.900000112.6L75 L76 S77 V82 E83 F84 G85 Y88L75-A79 WeakPolarHBondContact O-CB 3.42Å; L75-A79 PolarHBondContact O-N 2.81Å; L76-A79 PolarHBondContact O-N 3.2Å; S77-A79 PolarHBondContact O-N 3.05Å; A79-V82 CarbonylContact O-C 3.56Å; A79-V82 PolarHBondContact O-N 3.02Å; A79-E83 PolarHBondContact O-N 3.24Å; A79-F84 CarbonylContact O-C 3.54Å; A79-F84 PolarHBondContact O-N 3.46Å; A79-G85 PolarHBondContact O-N 3.19Å; A79-Y88 HydrophobicContact CB-CD2 4.41Å; A79-Y88 HydrophobicContact CB-CG 3.98Å
80I92.9Very high93.2Very high107 Ų10787.3 Ų87.355%0.54946%0.458SS..Hα-helixtrans-64.6-41.7173.2-70.8162.8000110.9L76 S77 V78 V82 E83L76-I80 HydrophobicContact CD1-CD1 4.34Å; L76-I80 HydrophobicContact CG-CD1 4.05Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 2.94Å; S77-I80 PolarHBondContact O-N 3.03Å; V78-I80 VanDerWaalsContact C-N 3.34Å; V78-I80 PolarHBondContact O-N 3.47Å; I80-V82 PolarHBondContact O-N 3.49Å; I80-E83 PolarHBondContact O-N 2.69Å
81Y92.9Very high93.1Very high209 Ų20985.2 Ų85.282%0.8245%0.451SS*.Hα-helixtrans-62.9-28.4175.3-177.3-92.4000113.2S77 V78 E83S77-Y81 PolarHBondContact O-N 3.07Å; S77-Y81 VanDerWaalsContact O-N 3.11Å; V78-Y81 PolarHBondContact O-N 3.39Å; Y81-E83 VanDerWaalsContact C-N 3.26Å; Y81-E83 PolarHBondContact O-N 3.03Å
82V92.7Very high93Very high97 Ų9781.2 Ų81.259%0.58843%0.432SS*.THydrogen-bonded Turntrans-90.314.7175.8-176.60000111.5V78 A79 I80 F84V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 2.93Å; A79-V82 CarbonylContact O-C 3.56Å; A79-V82 PolarHBondContact O-N 3.02Å; I80-V82 PolarHBondContact O-N 3.49Å; V82-F84 PolarHBondContact O-N 2.95Å
83E92Very high93Very high189 Ų18979.7 Ų79.788%0.88344%0.437SS*.THydrogen-bonded Turntrans58.20.9-175.4-54.5-171.6132.900115.2A79 I80 Y81A79-E83 PolarHBondContact O-N 3.24Å; I80-E83 PolarHBondContact O-N 2.69Å; Y81-E83 VanDerWaalsContact C-N 3.26Å; Y81-E83 PolarHBondContact O-N 3.03Å
84F91.8Very high93Very high113 Ų11382.4 Ų82.450%0.49645%0.446SS..  trans-92.91.8-173.2-160.9-109.4000113.6A79 V82 C86 V87 Y88A79-F84 CarbonylContact O-C 3.54Å; A79-F84 PolarHBondContact O-N 3.46Å; V82-F84 PolarHBondContact O-N 2.95Å; F84-C86 PolarHBondContact O-N 3.15Å; F84-C86 VanDerWaalsContact O-N 3.09Å; F84-V87 HydrophobicContact CD1-CB 4.06Å; F84-V87 HydrophobicContact CD2-CB 4.1Å; F84-V87 HydrophobicContact CD2-CG2 4.06Å; F84-V87 HydrophobicContact CE1-CB 3.72Å; F84-V87 HydrophobicContact CE1-CG1 3.78Å; F84-V87 HydrophobicContact CE2-CB 3.77Å; F84-V87 HydrophobicContact CE2-CG1 3.95Å; F84-V87 HydrophobicContact CE2-CG2 3.8Å; F84-V87 HydrophobicContact CG-CB 4.25Å; F84-V87 HydrophobicContact CZ-CB 3.58Å; F84-V87 HydrophobicContact CZ-CG1 3.41Å; F84-V87 VanDerWaalsContact CZ-CG1 3.41Å; F84-V87 HydrophobicContact CZ-CG2 4.13Å; F84-V87 PolarHBondContact O-N 3.36Å; F84-Y88 PolarHBondContact O-N 3.46Å; F84-Y88 VanDerWaalsContact O-N 3.13Å
85G91.8Very high92.9Very high8 Ų881.4 Ų81.48%0.08244%0.444CS..Hα-helixtrans-53.1-34.6-173.400000114.7A79 Y88 A89A79-G85 PolarHBondContact O-N 3.19Å; G85-Y88 PolarHBondContact O-N 2.97Å; G85-A89 WeakPolarHBondContact O-CB 3.33Å; G85-A89 PolarHBondContact O-N 3.44Å
86C90.8Very high92.8Very high90 Ų9081.8 Ų81.861%0.60845%0.446SS*.Hα-helixtrans-62.6-44.9175.3-175.80000112.3F84 A89 L90F84-C86 PolarHBondContact O-N 3.15Å; F84-C86 VanDerWaalsContact O-N 3.09Å; C86-A89 PolarHBondContact O-N 3.23Å; C86-L90 WeakPolarHBondContact O-CB 3.41Å; C86-L90 WeakPolarHBondContact O-CG 3.41Å; C86-L90 PolarHBondContact O-N 2.76Å
87V94.1Very high92.7Very high70 Ų7085.5 Ų85.542%0.42447%0.465SS..Hα-helixtrans-71.7-34.3-179.7-172.40000110.9F84 S91F84-V87 HydrophobicContact CD1-CB 4.06Å; F84-V87 HydrophobicContact CD2-CB 4.1Å; F84-V87 HydrophobicContact CD2-CG2 4.06Å; F84-V87 HydrophobicContact CE1-CB 3.72Å; F84-V87 HydrophobicContact CE1-CG1 3.78Å; F84-V87 HydrophobicContact CE2-CB 3.77Å; F84-V87 HydrophobicContact CE2-CG1 3.95Å; F84-V87 HydrophobicContact CE2-CG2 3.8Å; F84-V87 HydrophobicContact CG-CB 4.25Å; F84-V87 HydrophobicContact CZ-CB 3.58Å; F84-V87 HydrophobicContact CZ-CG1 3.41Å; F84-V87 VanDerWaalsContact CZ-CG1 3.41Å; F84-V87 HydrophobicContact CZ-CG2 4.13Å; F84-V87 PolarHBondContact O-N 3.36Å; V87-S91 VanDerWaalsContact O-CB 3.28Å; V87-S91 WeakPolarHBondContact O-CB 3.41Å; V87-S91 PolarHBondContact O-N 3.19Å; V87-S91 PolarHBondContact O-OG 2.83Å
88Y94.2Very high92.7Very high47 Ų4790.5 Ų90.518%0.18447%0.472CS..Hα-helixtrans-62.9-46.2170.5-174.6-92.2000112W72 L75 L76 A79 F84 G85 S91 S92W72-Y88 AromaticContact CD1-CE1 3.82Å; W72-Y88 AromaticContact CD1-CZ 3.84Å; W72-Y88 AromaticContact CE2-CE1 3.99Å; W72-Y88 AromaticContact NE1-CE1 3.45Å; W72-Y88 AromaticContact NE1-CZ 3.84Å; L75-Y88 HydrophobicContact CB-CE1 4.34Å; L75-Y88 HydrophobicContact CB-CE2 4.05Å; L75-Y88 VanDerWaalsContact CB-OH 3.27Å; L75-Y88 WeakPolarHBondContact CB-OH 3.48Å; L75-Y88 HydrophobicContact CD2-CE2 4.23Å; L76-Y88 HydrophobicContact CB-CD1 4.03Å; L76-Y88 HydrophobicContact CB-CE1 3.95Å; L76-Y88 HydrophobicContact CD1-CD1 3.79Å; L76-Y88 HydrophobicContact CD1-CE1 4.49Å; A79-Y88 HydrophobicContact CB-CD2 4.41Å; A79-Y88 HydrophobicContact CB-CG 3.98Å; F84-Y88 PolarHBondContact O-N 3.46Å; F84-Y88 VanDerWaalsContact O-N 3.13Å; G85-Y88 PolarHBondContact O-N 2.97Å; Y88-S91 PolarHBondContact O-OG 2.67Å; Y88-S92 WeakPolarHBondContact O-CB 3.04Å; Y88-S92 PolarHBondContact O-N 3.4Å; Y88-S92 PolarHBondContact O-OG 2.99Å
89A92.6Very high92.4Very high40 Ų4090.2 Ų90.233%0.33147%0.467SS..Hα-helixtrans-62.6-45.1177.600000112.1L76 G85 C86 S92 A93L76-A89 HydrophobicContact CD1-CB 4.36Å; G85-A89 WeakPolarHBondContact O-CB 3.33Å; G85-A89 PolarHBondContact O-N 3.44Å; C86-A89 PolarHBondContact O-N 3.23Å; A89-S92 PolarHBondContact O-OG 2.99Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 3.18Å
90L95.3Very high92.1Very high99 Ų9995 Ų9552%0.51849%0.491SS..Hα-helixtrans-64.8-50.2177.6-72.1170.7000112.2C86 S92 A93 F94C86-L90 WeakPolarHBondContact O-CB 3.41Å; C86-L90 WeakPolarHBondContact O-CG 3.41Å; C86-L90 PolarHBondContact O-N 2.76Å; L90-S92 PolarHBondContact O-N 2.79Å; L90-A93 PolarHBondContact O-N 2.81Å; L90-F94 WeakPolarHBondContact O-CD2 3.32Å; L90-F94 PolarHBondContact O-N 3.4Å
91S94.4Very high91.6Very high57 Ų5794.2 Ų94.240%0.39949%0.491SS..Hα-helixtrans-63.4-40.9-179.156.20000112.4V87 Y88 F94 V95V87-S91 VanDerWaalsContact O-CB 3.28Å; V87-S91 WeakPolarHBondContact O-CB 3.41Å; V87-S91 PolarHBondContact O-N 3.19Å; V87-S91 PolarHBondContact O-OG 2.83Å; Y88-S91 PolarHBondContact O-OG 2.67Å; S91-F94 PolarHBondContact O-N 2.89Å; S91-V95 WeakPolarHBondContact O-CG2 3.43Å; S91-V95 PolarHBondContact O-N 2.78Å
92S92.6Very high90.4Very high14 Ų1487.6 Ų87.610%0.09848%0.475CS..Hα-helixtrans-69.2-35.8174.357.70000112.9W72 Y88 A89 L90 V95 I96W72-S92 WeakPolarHBondContact CZ2-OG 3.41Å; W72-S92 VanDerWaalsContact NE1-CB 3.31Å; W72-S92 PolarHBondContact NE1-OG 3.35Å; Y88-S92 WeakPolarHBondContact O-CB 3.04Å; Y88-S92 PolarHBondContact O-N 3.4Å; Y88-S92 PolarHBondContact O-OG 2.99Å; A89-S92 PolarHBondContact O-OG 2.99Å; L90-S92 PolarHBondContact O-N 2.79Å; S92-V95 PolarHBondContact O-N 3.36Å; S92-I96 WeakPolarHBondContact O-CB 3.43Å; S92-I96 WeakPolarHBondContact O-CD1 3.43Å; S92-I96 VanDerWaalsContact O-CG1 3.23Å; S92-I96 WeakPolarHBondContact O-CG1 3.23Å; S92-I96 PolarHBondContact O-N 2.88Å
93A92.5Very high88.8Confident54 Ų5491.7 Ų91.745%0.44648%0.48SS..Hα-helixtrans-61.7-41.617100000112.3A89 L90 I96 L97A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 3.18Å; L90-A93 PolarHBondContact O-N 2.81Å; A93-I96 PolarHBondContact O-N 2.99Å; A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 PolarHBondContact O-N 3.49Å
94F94.4Very high87.3Confident142 Ų14292.8 Ų92.862%0.62348%0.476SS*.Hα-helixtrans-62-42.8172.4-80.3-65.1000112.3L90 S91 L97 W98L90-F94 WeakPolarHBondContact O-CD2 3.32Å; L90-F94 PolarHBondContact O-N 3.4Å; S91-F94 PolarHBondContact O-N 2.89Å; F94-L97 PolarHBondContact O-N 3.02Å; F94-W98 VanDerWaalsContact O-CB 3.27Å; F94-W98 WeakPolarHBondContact O-CB 3.46Å; F94-W98 PolarHBondContact O-N 3.34Å
95V91.7Very high85.6Confident84 Ų8495.7 Ų95.751%0.50949%0.489SS..Hα-helixtrans-64.2-42.3175.8169.70000111.6S91 S92 W98 L99S91-V95 WeakPolarHBondContact O-CG2 3.43Å; S91-V95 PolarHBondContact O-N 2.78Å; S92-V95 PolarHBondContact O-N 3.36Å; V95-W98 PolarHBondContact O-N 3.48Å; V95-L99 HydrophobicContact CG1-CD1 3.8Å; V95-L99 HydrophobicContact CG1-CG 4.36Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.47Å; V95-L99 PolarHBondContact O-N 3.04Å
96I91Very high83.8Confident87 Ų87104.6 Ų104.645%0.44653%0.525SS..Hα-helixtrans-62.8-46.5175.9-70.5163.9000110.4S92 A93 L99 N100S92-I96 WeakPolarHBondContact O-CB 3.43Å; S92-I96 WeakPolarHBondContact O-CD1 3.43Å; S92-I96 VanDerWaalsContact O-CG1 3.23Å; S92-I96 WeakPolarHBondContact O-CG1 3.23Å; S92-I96 PolarHBondContact O-N 2.88Å; A93-I96 PolarHBondContact O-N 2.99Å; I96-L99 PolarHBondContact O-N 3.49Å; I96-N100 WeakPolarHBondContact O-CB 3.49Å; I96-N100 PolarHBondContact O-N 3.36Å; I96-N100 PolarHBondContact O-ND2 2.92Å
97L91.7Very high82Confident111 Ų111108.4 Ų108.458%0.58153%0.534SS*.Hα-helixtrans-60.7-45.8176.6179.160.6000111.3A93 F94 N100 T101A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 PolarHBondContact O-N 3.49Å; F94-L97 PolarHBondContact O-N 3.02Å; L97-N100 PolarHBondContact O-N 3.24Å; L97-T101 WeakPolarHBondContact O-CB 3.29Å; L97-T101 VanDerWaalsContact O-CG2 3.29Å; L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.4Å
98W90.5Very high79.9Confident184 Ų184110.7 Ų110.770%0.69754%0.544SS*.Hα-helixtrans-60.1-46.7177.4-172.4-92.1000112.1F94 V95 N100 S102F94-W98 VanDerWaalsContact O-CB 3.27Å; F94-W98 WeakPolarHBondContact O-CB 3.46Å; F94-W98 PolarHBondContact O-N 3.34Å; V95-W98 PolarHBondContact O-N 3.48Å; W98-N100 VanDerWaalsContact C-N 3.35Å; W98-N100 PolarHBondContact O-N 3.33Å; W98-S102 WeakPolarHBondContact O-CB 3.44Å; W98-S102 PolarHBondContact O-N 3.35Å
99L86.7Confident77.8Confident81 Ų81116.8 Ų116.842%0.42457%0.574SS.*Hα-helixtrans-66.5-33.8178.8-72.7171.6000113.1V95 I96 R103V95-L99 HydrophobicContact CG1-CD1 3.8Å; V95-L99 HydrophobicContact CG1-CG 4.36Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.47Å; V95-L99 PolarHBondContact O-N 3.04Å; I96-L99 PolarHBondContact O-N 3.49Å; L99-R103 WeakPolarHBondContact O-CG 3.4Å
100N87.6Confident76Confident113 Ų113119.1 Ų119.160%0.60459%0.593SS**Hα-helixtrans-75.7-43.8176.4-82.5-80.3000112.6I96 L97 W98I96-N100 WeakPolarHBondContact O-CB 3.49Å; I96-N100 PolarHBondContact O-N 3.36Å; I96-N100 PolarHBondContact O-ND2 2.92Å; L97-N100 PolarHBondContact O-N 3.24Å; W98-N100 VanDerWaalsContact C-N 3.35Å; W98-N100 PolarHBondContact O-N 3.33Å
101T83.3Confident73.9Confident90 Ų90117.5 Ų117.555%0.55258%0.583SS**Hα-helixtrans-75.2-41.7-177.1-162.50000112.4L97 R103 R104L97-T101 WeakPolarHBondContact O-CB 3.29Å; L97-T101 VanDerWaalsContact O-CG2 3.29Å; L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.4Å; T101-R103 PolarHBondContact O-N 2.89Å; T101-R104 PolarHBondContact O-N 3.47Å
102S67.1Low71.9Confident70 Ų70123.4 Ų123.449%0.4960%0.604SS.*Hα-helixtrans-70.1-30.5-169.4-168.60000113.7W98 R104W98-S102 WeakPolarHBondContact O-CB 3.44Å; W98-S102 PolarHBondContact O-N 3.35Å; S102-R104 PolarHBondContact O-N 2.96Å
103R59.5Low70.3Confident183 Ų183130.2 Ų130.269%0.69163%0.634SS**G310 helixtrans-75.6-17.7-176.8-66.2-176.3-170.5-1054.6114.8L99 T101 K105L99-R103 WeakPolarHBondContact O-CG 3.4Å; T101-R103 PolarHBondContact O-N 2.89Å; R103-K105 PolarHBondContact O-N 2.9Å
104R58.9Low69Low212 Ų212133.9 Ų133.980%0.864%0.642SS**G310 helixtrans-72.2-6.2-175.8-74.5-76.2-177164.50.4115.1T101 S102T101-R104 PolarHBondContact O-N 3.47Å; S102-R104 PolarHBondContact O-N 2.96Å
105K56.3Low67.7Low174 Ų174129.7 Ų129.776%0.75763%0.626SS**G310 helixtrans-109.79.3-159-120.3-177.3-176.7-176.30117.5R103R103-K105 PolarHBondContact O-N 2.9Å
106K54.8Low67.1Low194 Ų194127.6 Ų127.684%0.84362%0.615SS**SBendtrans-145.9-10.4-171.3-73.4-161.9175-170.20119.9
107Q53.2Low66.5Low170 Ų170126.6 Ų126.679%0.79462%0.62SS**SBendtrans-98-12.9-164.4-73.3-162.5-91.200117.7
108N48.8Very low66Low118 Ų118129.2 Ų129.263%0.63162%0.623SS**  trans-114.9111178.8-68.39000109.7A110 Q111N108-A110 PolarHBondContact O-N 3.43Å; N108-A110 VanDerWaalsContact O-N 3.12Å; N108-Q111 WeakPolarHBondContact O-CB 3.25Å; N108-Q111 WeakPolarHBondContact O-CG 3.37Å; N108-Q111 PolarHBondContact O-N 3.39Å
109E51.6Low65.6Low176 Ų176123 Ų12382%0.82261%0.608SS**G310 helixtrans-65.1-15.5178.6-63.7176.1128.800112.6Q111 Q112E109-Q111 PolarHBondContact O-N 2.84Å; E109-Q112 WeakPolarHBondContact O-CG 3.46Å; E109-Q112 PolarHBondContact O-N 2.79Å
110A53.8Low65.3Low88 Ų88124.2 Ų124.273%0.72762%0.619SS**G310 helixtrans-57.2-10.2163.900000114.7N108 Q112N108-A110 PolarHBondContact O-N 3.43Å; N108-A110 VanDerWaalsContact O-N 3.12Å; A110-Q112 PolarHBondContact O-N 2.86Å
111Q51.6Low65Low66 Ų66126.2 Ų126.231%0.30862%0.622SS.*G310 helixtrans-68-4.9173.8-75.4-164.1-4300114.5N108 E109 Q113 Q114N108-Q111 WeakPolarHBondContact O-CB 3.25Å; N108-Q111 WeakPolarHBondContact O-CG 3.37Å; N108-Q111 PolarHBondContact O-N 3.39Å; E109-Q111 PolarHBondContact O-N 2.84Å; Q111-Q113 PolarHBondContact O-N 3Å; Q111-Q114 HydrophobicContact CG-CG 4.43Å; Q111-Q114 VanDerWaalsContact CG-NE2 3.33Å; Q111-Q114 PolarHBondContact O-N 3.28Å
112Q51.4Low65Low181 Ų181122.5 Ų122.585%0.84660%0.599SS**G310 helixtrans-56.6-16172.7-74.7-176.82.800114.7E109 A110E109-Q112 WeakPolarHBondContact O-CG 3.46Å; E109-Q112 PolarHBondContact O-N 2.79Å; A110-Q112 PolarHBondContact O-N 2.86Å
113Q59.8Low65.5Low156 Ų156123.1 Ų123.173%0.72960%0.602SS**G310 helixtrans-11414-177.4-141.9170.63.400114.2Q111 L115Q111-Q113 PolarHBondContact O-N 3Å; Q113-L115 PolarHBondContact O-N 3.34Å; Q113-L115 VanDerWaalsContact O-N 3.14Å
114Q64.4Low66.5Low131 Ų131121.2 Ų121.261%0.61261%0.605SS**  trans-77.196.8170.6-69.4179.3135.500110.2Q111 S116Q111-Q114 HydrophobicContact CG-CG 4.43Å; Q111-Q114 VanDerWaalsContact CG-NE2 3.33Å; Q111-Q114 PolarHBondContact O-N 3.28Å; Q114-S116 PolarHBondContact O-N 3.18Å
115L68.1Low67.5Low54 Ų54115.2 Ų115.228%0.28360%0.595SS.*  trans-57.1121.7172.1-64.2109.2000110.4Q113 N122 E126 L128Q113-L115 PolarHBondContact O-N 3.34Å; Q113-L115 VanDerWaalsContact O-N 3.14Å; L115-N122 HydrophobicContact CD2-CB 4.44Å; L115-E126 HydrophobicContact CD2-CB 3.49Å; L115-E126 VanDerWaalsContact CD2-CB 3.49Å; L115-L128 HydrophobicContact CB-CD1 4.01Å; L115-L128 HydrophobicContact CB-CG 4.01Å
116S78.6Confident68.5Low41 Ų41111 Ų11129%0.28758%0.577SS.*  trans-75.6153.4175.184.70000110.8Q114 Y118 N122 L128Q114-S116 PolarHBondContact O-N 3.18Å; S116-Y118 PolarHBondContact O-N 3.13Å; S116-Y118 PolarHBondContact OG-O 3.02Å; S116-N122 WeakPolarHBondContact CA-OD1 3.47Å; S116-N122 WeakPolarHBondContact CB-OD1 3.3Å; S116-N122 PolarHBondContact N-OD1 2.95Å; S116-N122 PolarHBondContact O-ND2 2.89Å; S116-N122 PolarHBondContact O-OD1 2.68Å; S116-N122 PolarHBondContact OG-OD1 3.26Å; S116-L128 WeakPolarHBondContact O-CD1 3.27Å
117A79.6Confident69.5Low66 Ų66107.3 Ų107.355%0.54556%0.558SS.*SBendtrans-55.3-22.1-174.200000115.1Q131A117-Q131 PolarHBondContact O-NE2 2.86Å
118Y80.8Confident70.6Confident165 Ų165101.8 Ų101.865%0.64753%0.534SS*.SBendtrans-111.3121175.3-52.3-82.9000109.7S116 V120 F121S116-Y118 PolarHBondContact O-N 3.13Å; S116-Y118 PolarHBondContact OG-O 3.02Å; Y118-V120 PolarHBondContact O-N 3Å; Y118-F121 HydrophobicContact CD2-CD2 4.44Å; Y118-F121 HydrophobicContact CD2-CE2 4.04Å; Y118-F121 HydrophobicContact CG-CE2 4.37Å; Y118-F121 PolarHBondContact O-N 2.93Å; Y118-F121 VanDerWaalsContact O-N 3.14Å
119S80.8Confident71.7Confident54 Ų54101.9 Ų101.938%0.37854%0.541SS..G310 helixtrans-52-28.4178.944.60000114.1F121 N122 C125S119-F121 PolarHBondContact O-N 3.25Å; S119-F121 VanDerWaalsContact O-N 3.13Å; S119-N122 WeakPolarHBondContact O-CB 3.47Å; S119-N122 PolarHBondContact O-N 3.14Å; S119-C125 VanDerWaalsContact CB-O 3.26Å; S119-C125 WeakPolarHBondContact CB-O 3.05Å; S119-C125 WeakPolarHBondContact O-CA 3.12Å
120V81.3Confident73Confident107 Ų10797.5 Ų97.565%0.64854%0.543SS*.G310 helixtrans-59.1-21.1179.1740000115Y118Y118-V120 PolarHBondContact O-N 3Å
121F82.2Confident74.1Confident154 Ų15496.8 Ų96.868%0.67553%0.525SS*.G310 helixtrans-104.25.4173.8-44.9-73.4000113.3Y118 S119Y118-F121 HydrophobicContact CD2-CD2 4.44Å; Y118-F121 HydrophobicContact CD2-CE2 4.04Å; Y118-F121 HydrophobicContact CG-CE2 4.37Å; Y118-F121 PolarHBondContact O-N 2.93Å; Y118-F121 VanDerWaalsContact O-N 3.14Å; S119-F121 PolarHBondContact O-N 3.25Å; S119-F121 VanDerWaalsContact O-N 3.13Å
122N83.2Confident75.3Confident13 Ų1399.2 Ų99.27%0.0754%0.539CS..SBendtrans-99.4145.3-178.3-59.2-11.9000109.8L115 S116 S119 N124 C125 E126L115-N122 HydrophobicContact CD2-CB 4.44Å; S116-N122 WeakPolarHBondContact CA-OD1 3.47Å; S116-N122 WeakPolarHBondContact CB-OD1 3.3Å; S116-N122 PolarHBondContact N-OD1 2.95Å; S116-N122 PolarHBondContact O-ND2 2.89Å; S116-N122 PolarHBondContact O-OD1 2.68Å; S116-N122 PolarHBondContact OG-OD1 3.26Å; S119-N122 WeakPolarHBondContact O-CB 3.47Å; S119-N122 PolarHBondContact O-N 3.14Å; N122-N124 PolarHBondContact O-N 3.23Å; N122-C125 PolarHBondContact O-N 3.33Å; N122-E126 WeakPolarHBondContact CB-O 3.26Å; N122-E126 PolarHBondContact ND2-O 2.93Å
123P76Confident76.5Confident83 Ų8392 Ų9254%0.53951%0.507SS..G310 helixtrans-55.6144171.826-34.2000110C125 E126P123-C125 PolarHBondContact O-N 2.91Å; P123-E126 WeakPolarHBondContact O-CB 3.46Å; P123-E126 WeakPolarHBondContact O-CG 3.42Å; P123-E126 PolarHBondContact O-N 3.18Å
124N80.8Confident77.7Confident142 Ų14287.7 Ų87.776%0.75950%0.498SS*.G310 helixtrans55.416.4-178-43.5-48.2000115.3N122 E126N122-N124 PolarHBondContact O-N 3.23Å; N124-E126 HydrophobicContact CB-CG 4.16Å; N124-E126 PolarHBondContact ND2-OE1 3.24Å; N124-E126 PolarHBondContact O-N 2.98Å
125C80.5Confident78.5Confident87 Ų8786.7 Ų86.759%0.58849%0.493SS*.G310 helixtrans56.230.4-168.6-64.90000113.9S119 N122 P123 R127S119-C125 VanDerWaalsContact CB-O 3.26Å; S119-C125 WeakPolarHBondContact CB-O 3.05Å; S119-C125 WeakPolarHBondContact O-CA 3.12Å; N122-C125 PolarHBondContact O-N 3.33Å; P123-C125 PolarHBondContact O-N 2.91Å; C125-R127 PolarHBondContact O-N 2.84Å
126E77.8Confident79Confident84 Ų8489.3 Ų89.339%0.39350%0.504SS..PPolyproline II helixtrans-60.7133.7-179.4-76.9163.5-146.200112.1L115 N122 P123 N124L115-E126 HydrophobicContact CD2-CB 3.49Å; L115-E126 VanDerWaalsContact CD2-CB 3.49Å; N122-E126 WeakPolarHBondContact CB-O 3.26Å; N122-E126 PolarHBondContact ND2-O 2.93Å; P123-E126 WeakPolarHBondContact O-CB 3.46Å; P123-E126 WeakPolarHBondContact O-CG 3.42Å; P123-E126 PolarHBondContact O-N 3.18Å; N124-E126 HydrophobicContact CB-CG 4.16Å; N124-E126 PolarHBondContact ND2-OE1 3.24Å; N124-E126 PolarHBondContact O-N 2.98Å
127R76Confident79.2Confident117 Ų11792.7 Ų92.744%0.44251%0.513SS..PPolyproline II helixtrans-80.9155.817252.5172.7158.6143.6-11.8111.2C125 T133 E135C125-R127 PolarHBondContact O-N 2.84Å; R127-T133 VanDerWaalsContact CZ-CG2 3.49Å; R127-T133 PolarHBondContact NH1-OG1 3.26Å; R127-T133 PolarHBondContact NH2-OG1 3.38Å; R127-E135 IonicContact CZ-OE2 3.38Å; R127-E135 IonicContact NE-OE2 3.8Å; R127-E135 IonicContact NH2-OE2 2.67Å; R127-E135 PolarHBondContact NH2-OE2 3.38Å
128L76.4Confident79.5Confident54 Ų5495.7 Ų95.728%0.28352%0.516SS..PPolyproline II helixtrans-65.2141.9170.9-82.179.5000110.2L115 S116 G130 Q131L115-L128 HydrophobicContact CB-CD1 4.01Å; L115-L128 HydrophobicContact CB-CG 4.01Å; S116-L128 WeakPolarHBondContact O-CD1 3.27Å; L128-G130 PolarHBondContact O-N 3.41Å; L128-Q131 HydrophobicContact CB-CG 4.01Å; L128-Q131 PolarHBondContact O-N 2.87Å; L128-Q131 VanDerWaalsContact O-N 3.15Å
129P71.7Confident79.6Confident120 Ų12089.6 Ų89.678%0.77950%0.495SS*.THydrogen-bonded Turntrans-57.5132.2166.926.2-33.7000109.5
130G78Confident79.6Confident84 Ų8489.6 Ų89.687%0.86649%0.49SS*.THydrogen-bonded Turntrans90.9-6-176.500000115.9L128 I132L128-G130 PolarHBondContact O-N 3.41Å; G130-I132 PolarHBondContact O-N 2.93Å
131Q76.7Confident79.8Confident73 Ų7393.5 Ų93.534%0.34149%0.494SS..PPolyproline II helixtrans-73.3123.3167.7-77178.1-34.700110.8A117 L128 T133A117-Q131 PolarHBondContact O-NE2 2.86Å; L128-Q131 HydrophobicContact CB-CG 4.01Å; L128-Q131 PolarHBondContact O-N 2.87Å; L128-Q131 VanDerWaalsContact O-N 3.15Å; Q131-T133 PolarHBondContact O-N 3.37Å
132I77.4Confident79.9Confident118 Ų11895.9 Ų95.961%0.60550%0.498SS*.PPolyproline II helixtrans-70.2117.9173.9-48.4176.6000108.6G130 H136 F137G130-I132 PolarHBondContact O-N 2.93Å; I132-H136 HydrophobicContact CG2-CB 4.2Å; I132-F137 HydrophobicContact CB-CE2 4.38Å; I132-F137 HydrophobicContact CG2-CD2 4.15Å; I132-F137 HydrophobicContact CG2-CE1 4.46Å; I132-F137 HydrophobicContact CG2-CE2 3.5Å; I132-F137 HydrophobicContact CG2-CZ 3.69Å
133T77.4Confident79.8Confident30 Ų30104.3 Ų104.318%0.18453%0.529CS..PPolyproline II helixtrans-93.6160.9177.243.30000113.2R127 Q131 E135 H136 F137R127-T133 VanDerWaalsContact CZ-CG2 3.49Å; R127-T133 PolarHBondContact NH1-OG1 3.26Å; R127-T133 PolarHBondContact NH2-OG1 3.38Å; Q131-T133 PolarHBondContact O-N 3.37Å; T133-E135 WeakPolarHBondContact CB-OE2 3.38Å; T133-E135 PolarHBondContact O-N 3.4Å; T133-E135 PolarHBondContact OG1-OE2 3.49Å; T133-H136 WeakPolarHBondContact O-CB 3.34Å; T133-H136 PolarHBondContact O-N 2.86Å; T133-F137 VanDerWaalsContact O-CD2 3.3Å; T133-F137 WeakPolarHBondContact O-CD2 3.27Å; T133-F137 PolarHBondContact O-N 3.02Å
134A83.3Confident79.7Confident64 Ų64103.6 Ų103.653%0.52954%0.537SS..Hα-helixtrans-47.9-43.1164.600000111.7H136 F137 E138A134-H136 PolarHBondContact O-N 3Å; A134-F137 CarbonylContact O-C 3.48Å; A134-F137 WeakPolarHBondContact O-CA 3.24Å; A134-F137 WeakPolarHBondContact O-CB 3.34Å; A134-F137 PolarHBondContact O-N 3.38Å; A134-E138 WeakPolarHBondContact O-CG 3.45Å; A134-E138 PolarHBondContact O-N 3.5Å
135E81.2Confident79Confident111 Ų11199 Ų9952%0.51952%0.523SS..Hα-helixtrans-53-38175.3-51.4160.2128.300113R127 T133 D139R127-E135 IonicContact CZ-OE2 3.38Å; R127-E135 IonicContact NE-OE2 3.8Å; R127-E135 IonicContact NH2-OE2 2.67Å; R127-E135 PolarHBondContact NH2-OE2 3.38Å; T133-E135 WeakPolarHBondContact CB-OE2 3.38Å; T133-E135 PolarHBondContact O-N 3.4Å; T133-E135 PolarHBondContact OG1-OE2 3.49Å; E135-D139 WeakPolarHBondContact O-CB 3.36Å; E135-D139 PolarHBondContact O-N 3.26Å
136H79.6Confident77.8Confident109 Ų10998.1 Ų98.151%0.50553%0.528SS..Hα-helixtrans-71.1-39.5178.1-172.768.9000111.4I132 T133 A134 M140I132-H136 HydrophobicContact CG2-CB 4.2Å; T133-H136 WeakPolarHBondContact O-CB 3.34Å; T133-H136 PolarHBondContact O-N 2.86Å; A134-H136 PolarHBondContact O-N 3Å; H136-M140 WeakPolarHBondContact O-CB 3.27Å; H136-M140 WeakPolarHBondContact O-CG 3.41Å; H136-M140 PolarHBondContact O-N 3.29Å
137F83.2Confident77Confident111 Ų111100.6 Ų100.649%0.48754%0.544SS..Hα-helixtrans-66.1-44172.4-66.3-73.2000111.7I132 T133 A134 D139 M140 Y141I132-F137 HydrophobicContact CB-CE2 4.38Å; I132-F137 HydrophobicContact CG2-CD2 4.15Å; I132-F137 HydrophobicContact CG2-CE1 4.46Å; I132-F137 HydrophobicContact CG2-CE2 3.5Å; I132-F137 HydrophobicContact CG2-CZ 3.69Å; T133-F137 VanDerWaalsContact O-CD2 3.3Å; T133-F137 WeakPolarHBondContact O-CD2 3.27Å; T133-F137 PolarHBondContact O-N 3.02Å; A134-F137 CarbonylContact O-C 3.48Å; A134-F137 WeakPolarHBondContact O-CA 3.24Å; A134-F137 WeakPolarHBondContact O-CB 3.34Å; A134-F137 PolarHBondContact O-N 3.38Å; F137-D139 PolarHBondContact O-N 3.11Å; F137-M140 PolarHBondContact O-N 3.09Å; F137-Y141 HydrophobicContact CB-CE2 4.49Å; F137-Y141 WeakPolarHBondContact O-CD2 3.36Å; F137-Y141 PolarHBondContact O-N 2.95Å
138E85Confident75.5Confident130 Ų130106.3 Ų106.361%0.60758%0.58SS**Hα-helixtrans-58.8-44.8176.5-74.8175.2-161.200111.7A134 Y141 R142A134-E138 WeakPolarHBondContact O-CG 3.45Å; A134-E138 PolarHBondContact O-N 3.5Å; E138-Y141 PolarHBondContact O-N 3.13Å; E138-R142 WeakPolarHBondContact O-CB 3.28Å; E138-R142 PolarHBondContact O-N 2.96Å
139D82.5Confident75.4Confident37 Ų37108.9 Ų108.920%0.19860%0.595CS.*Hα-helixtrans-72.9-29.2179.2-142.841.3000112.4E135 F137 R142 R143E135-D139 WeakPolarHBondContact O-CB 3.36Å; E135-D139 PolarHBondContact O-N 3.26Å; F137-D139 PolarHBondContact O-N 3.11Å; D139-R142 IonicContact OD1-CZ 3.28Å; D139-R142 VanDerWaalsContact OD1-CZ 3.28Å; D139-R142 IonicContact OD1-NE 3.03Å; D139-R142 PolarHBondContact OD1-NE 3.32Å; D139-R142 IonicContact OD1-NH2 2.69Å; D139-R142 PolarHBondContact OD1-NH2 3.46Å; D139-R143 VanDerWaalsContact O-CB 3.26Å; D139-R143 WeakPolarHBondContact O-CB 3.49Å; D139-R143 WeakPolarHBondContact O-CD 3.43Å; D139-R143 WeakPolarHBondContact O-CG 3.16Å; D139-R143 PolarHBondContact O-N 2.87Å; D139-R143 IonicContact OD2-CZ 2.63Å; D139-R143 IonicContact OD2-NE 2.69Å; D139-R143 PolarHBondContact OD2-NE 2.92Å; D139-R143 IonicContact OD2-NH2 3.18Å; D139-R143 PolarHBondContact OD2-NH2 2.7Å
140M82.4Confident75.6Confident54 Ų54108.3 Ų108.327%0.26659%0.586SS.*Hα-helixtrans-67.8-42.7169.8-75.1-68.4-68.300112.6H136 F137 G144 G145 L147H136-M140 WeakPolarHBondContact O-CB 3.27Å; H136-M140 WeakPolarHBondContact O-CG 3.41Å; H136-M140 PolarHBondContact O-N 3.29Å; F137-M140 PolarHBondContact O-N 3.09Å; M140-G144 PolarHBondContact O-N 3.45Å; M140-G145 PolarHBondContact O-N 3.3Å; M140-L147 HydrophobicContact CE-CB 3.82Å; M140-L147 HydrophobicContact CE-CD1 3.96Å; M140-L147 HydrophobicContact CE-CG 4.22Å
141Y84.9Confident75.5Confident189 Ų189109.7 Ų109.774%0.74157%0.57SS**Hα-helixtrans-62.4-46.3171.7-79.3-63.8000110.9F137 E138 R143 G144F137-Y141 HydrophobicContact CB-CE2 4.49Å; F137-Y141 WeakPolarHBondContact O-CD2 3.36Å; F137-Y141 PolarHBondContact O-N 2.95Å; E138-Y141 PolarHBondContact O-N 3.13Å; Y141-R143 VanDerWaalsContact C-N 3.32Å; Y141-R143 PolarHBondContact O-N 2.9Å; Y141-G144 PolarHBondContact O-N 2.94Å
142R84Confident75.4Confident203 Ų203111.8 Ų111.877%0.76658%0.584SS**Hα-helixtrans-66.7-29.7-178.6-169.9171.870.2134.6-2.1113.5E138 D139 G144E138-R142 WeakPolarHBondContact O-CB 3.28Å; E138-R142 PolarHBondContact O-N 2.96Å; D139-R142 IonicContact OD1-CZ 3.28Å; D139-R142 VanDerWaalsContact OD1-CZ 3.28Å; D139-R142 IonicContact OD1-NE 3.03Å; D139-R142 PolarHBondContact OD1-NE 3.32Å; D139-R142 IonicContact OD1-NH2 2.69Å; D139-R142 PolarHBondContact OD1-NH2 3.46Å; R142-G144 VanDerWaalsContact C-N 3.26Å; R142-G144 PolarHBondContact O-N 3.46Å
143R80.5Confident75.3Confident191 Ų191111.4 Ų111.472%0.72158%0.582SS**THydrogen-bonded Turntrans-82.54.2173.4-69170.2-167.3-131.77.9113.8D139 Y141D139-R143 VanDerWaalsContact O-CB 3.26Å; D139-R143 WeakPolarHBondContact O-CB 3.49Å; D139-R143 WeakPolarHBondContact O-CD 3.43Å; D139-R143 WeakPolarHBondContact O-CG 3.16Å; D139-R143 PolarHBondContact O-N 2.87Å; D139-R143 IonicContact OD2-CZ 2.63Å; D139-R143 IonicContact OD2-NE 2.69Å; D139-R143 PolarHBondContact OD2-NE 2.92Å; D139-R143 IonicContact OD2-NH2 3.18Å; D139-R143 PolarHBondContact OD2-NH2 2.7Å; Y141-R143 VanDerWaalsContact C-N 3.32Å; Y141-R143 PolarHBondContact O-N 2.9Å
144G74.5Confident75.1Confident67 Ų67116.9 Ų116.969%0.69161%0.609SS**THydrogen-bonded Turntrans88.927.6172.300000115.6M140 Y141 R142M140-G144 PolarHBondContact O-N 3.45Å; Y141-G144 PolarHBondContact O-N 2.94Å; R142-G144 VanDerWaalsContact C-N 3.26Å; R142-G144 PolarHBondContact O-N 3.46Å
145G65.9Low74.6Confident45 Ų45120.6 Ų120.646%0.46462%0.615SS.*  trans73.633.6163.400000115.9M140 L147M140-G145 PolarHBondContact O-N 3.3Å; G145-L147 PolarHBondContact O-N 3.18Å
146G56.1Low74Confident69 Ų69121.4 Ų121.471%0.71162%0.622SS**  trans-71.658.7-178.800000115.5
147L61.5Low73.6Confident137 Ų137122.4 Ų122.472%0.71763%0.632SS**  trans-157.251169.1-118.4-179.7000114.4M140 G145M140-L147 HydrophobicContact CE-CB 3.82Å; M140-L147 HydrophobicContact CE-CD1 3.96Å; M140-L147 HydrophobicContact CE-CG 4.22Å; G145-L147 PolarHBondContact O-N 3.18Å
148I42.7Very low72.7Confident236 Ų236123.5 Ų123.5100%1.2165%0.645SS**  trans75.20175.9-51.2176.1000114.3

Retrieved 148 of 148 residues in 80.7 ms (Link to these results)