A0A3Q0KD16_SCHMA Loading...

Protein phosphatase 1 regulatory subunit 14B

AlphaFold DB , UniProt , Accession A0A3Q0KD16, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 137 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
1M49.3Very low59.5Low213 Ų213129.2 Ų129.2100%1.04960%0.598SS**  0-18.90-92.7-168.2-96.800115.1S3M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.74Å
2L52.2Low60.1Low130 Ų130126.7 Ų126.768%0.68160%0.598SS**Hα-helixtrans-66.1-28.4-177.6-71.1159.2000114.7L4 Y5 L6L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.11Å; L2-Y5 PolarHBondContact O-N 2.63Å; L2-L6 WeakPolarHBondContact O-CB 3.09Å; L2-L6 PolarHBondContact O-N 2.95Å; L2-L6 VanDerWaalsContact O-N 3.13Å
3S62.1Low60.5Low72 Ų72120.1 Ų120.150%0.50357%0.568SS.*Hα-helixtrans-56.7-37.6179.9168.20000114.3M1 R7M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.74Å; S3-R7 WeakPolarHBondContact O-CB 3.42Å; S3-R7 WeakPolarHBondContact O-CD 3.49Å; S3-R7 VanDerWaalsContact O-CG 3.23Å; S3-R7 WeakPolarHBondContact O-CG 3.18Å; S3-R7 PolarHBondContact O-N 2.99Å; S3-R7 VanDerWaalsContact O-N 3.11Å
4L55.8Low60.7Low129 Ų129117.7 Ų117.768%0.67556%0.561SS**Hα-helixtrans-74.8-41-177.7-73.1170.3000112.6L2 L6 K8L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.11Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-K8 WeakPolarHBondContact O-CB 3.42Å; L4-K8 PolarHBondContact O-N 3.45Å
5Y58Low60.6Low173 Ų173118.7 Ų118.768%0.67857%0.57SS**Hα-helixtrans-68.9-35.7178.4-78.7-81.2000111.8L2 K8 W9L2-Y5 PolarHBondContact O-N 2.63Å; Y5-K8 PolarHBondContact O-N 2.63Å; Y5-W9 WeakPolarHBondContact O-CB 3.34Å; Y5-W9 PolarHBondContact O-N 3.21Å
6L58.3Low60.1Low62 Ų62114.9 Ų114.933%0.32557%0.571SS.*Hα-helixtrans-72.6-40.3179.6-16261.7000112.2L2 L4 W9 I10 I68 N72L2-L6 WeakPolarHBondContact O-CB 3.09Å; L2-L6 PolarHBondContact O-N 2.95Å; L2-L6 VanDerWaalsContact O-N 3.13Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L6-W9 PolarHBondContact O-N 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.45Å; L6-I68 HydrophobicContact CD1-CG2 4.29Å; L6-I68 HydrophobicContact CD2-CG2 4.49Å; L6-I68 HydrophobicContact CG-CG2 4.48Å; L6-N72 WeakPolarHBondContact CD2-ND2 3.35Å; L6-N72 WeakPolarHBondContact CD2-OD1 3.4Å
7R60Low59.7Low175 Ų175118.4 Ų118.466%0.6658%0.582SS**Hα-helixtrans-60.7-44.9171.4-76.8172.6173.8-111.4-0.4111.5S3 W9 I10 E11S3-R7 WeakPolarHBondContact O-CB 3.42Å; S3-R7 WeakPolarHBondContact O-CD 3.49Å; S3-R7 VanDerWaalsContact O-CG 3.23Å; S3-R7 WeakPolarHBondContact O-CG 3.18Å; S3-R7 PolarHBondContact O-N 2.99Å; S3-R7 VanDerWaalsContact O-N 3.11Å; R7-W9 VanDerWaalsContact C-N 3.32Å; R7-W9 PolarHBondContact O-N 3.24Å; R7-I10 PolarHBondContact O-N 3.12Å; R7-E11 WeakPolarHBondContact O-CB 3.35Å; R7-E11 PolarHBondContact O-N 3.22Å
8K62.4Low59Low139 Ų139121.8 Ų121.860%0.60460%0.596SS**Hα-helixtrans-64.4-36.6177.6-163.6164.7-174.41760112L4 Y5 E11 V12L4-K8 WeakPolarHBondContact O-CB 3.42Å; L4-K8 PolarHBondContact O-N 3.45Å; Y5-K8 PolarHBondContact O-N 2.63Å; K8-E11 PolarHBondContact O-N 2.89Å; K8-V12 HydrophobicContact CG-CG2 4.42Å; K8-V12 VanDerWaalsContact O-CB 3.31Å; K8-V12 WeakPolarHBondContact O-CB 3.42Å; K8-V12 WeakPolarHBondContact O-CG2 3.34Å; K8-V12 PolarHBondContact O-N 3.25Å
9W65.4Low58.6Low166 Ų166123.3 Ų123.363%0.62961%0.613SS**Hα-helixtrans-65.2-43.6173.9-105.990000113Y5 L6 R7 E11 M13Y5-W9 WeakPolarHBondContact O-CB 3.34Å; Y5-W9 PolarHBondContact O-N 3.21Å; L6-W9 PolarHBondContact O-N 3.24Å; R7-W9 VanDerWaalsContact C-N 3.32Å; R7-W9 PolarHBondContact O-N 3.24Å; W9-E11 VanDerWaalsContact C-N 3.33Å; W9-M13 HydrophobicContact CE3-CE 4.11Å; W9-M13 HydrophobicContact CE3-CG 4.27Å; W9-M13 HydrophobicContact CE3-SD 4.27Å; W9-M13 HydrophobicContact CZ3-SD 4.34Å; W9-M13 WeakPolarHBondContact O-CB 3.02Å; W9-M13 WeakPolarHBondContact O-CG 3.28Å; W9-M13 PolarHBondContact O-N 2.99Å
10I65.3Low57.6Low42 Ų42123.8 Ų123.822%0.21563%0.628CS.*Hα-helixtrans-64.2-40.3175.8-66.5167000110.9L6 R7 M13 N14 I68L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.45Å; R7-I10 PolarHBondContact O-N 3.12Å; I10-M13 PolarHBondContact O-N 3.48Å; I10-N14 PolarHBondContact O-N 2.88Å; I10-N14 VanDerWaalsContact O-N 3.17Å; I10-N14 PolarHBondContact O-ND2 2.95Å; I10-I68 HydrophobicContact CD1-CG2 4.23Å
11E65.7Low56.8Low120 Ų120121.3 Ų121.356%0.56163%0.634SS**Hα-helixtrans-67.2-46.1178.2-167.6169.5-160.600111.7R7 K8 W9 M13 N14 L15R7-E11 WeakPolarHBondContact O-CB 3.35Å; R7-E11 PolarHBondContact O-N 3.22Å; K8-E11 PolarHBondContact O-N 2.89Å; W9-E11 VanDerWaalsContact C-N 3.33Å; E11-M13 VanDerWaalsContact C-N 3.29Å; E11-M13 PolarHBondContact O-N 3.44Å; E11-N14 PolarHBondContact O-N 2.89Å; E11-N14 VanDerWaalsContact O-N 3.07Å; E11-L15 HydrophobicContact CG-CD1 4.18Å; E11-L15 WeakPolarHBondContact O-CB 3.49Å; E11-L15 PolarHBondContact O-N 3.29Å
12V66.4Low56.2Low99 Ų99117.2 Ų117.260%0.663%0.626SS**Hα-helixtrans-59.2-38.5174.91680000111.6K8 N14K8-V12 HydrophobicContact CG-CG2 4.42Å; K8-V12 VanDerWaalsContact O-CB 3.31Å; K8-V12 WeakPolarHBondContact O-CB 3.42Å; K8-V12 WeakPolarHBondContact O-CG2 3.34Å; K8-V12 PolarHBondContact O-N 3.25Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.42Å
13M65Low56Low41 Ų41116.5 Ų116.520%0.20263%0.632CS.*Hα-helixtrans-70.8-26.4177-74.5-157.9-7700113.7W9 I10 E11 R61 I68W9-M13 HydrophobicContact CE3-CE 4.11Å; W9-M13 HydrophobicContact CE3-CG 4.27Å; W9-M13 HydrophobicContact CE3-SD 4.27Å; W9-M13 HydrophobicContact CZ3-SD 4.34Å; W9-M13 WeakPolarHBondContact O-CB 3.02Å; W9-M13 WeakPolarHBondContact O-CG 3.28Å; W9-M13 PolarHBondContact O-N 2.99Å; I10-M13 PolarHBondContact O-N 3.48Å; E11-M13 VanDerWaalsContact C-N 3.29Å; E11-M13 PolarHBondContact O-N 3.44Å; M13-R61 PolarHBondContact O-NH1 3.02Å; M13-I68 HydrophobicContact CE-CD1 4.34Å
14N63.7Low54.9Low87 Ų87121 Ų12147%0.46565%0.651SS.*Hα-helixtrans-88.6-25.3178-79.4-52.8000113.8I10 E11 V12 G16I10-N14 PolarHBondContact O-N 2.88Å; I10-N14 VanDerWaalsContact O-N 3.17Å; I10-N14 PolarHBondContact O-ND2 2.95Å; E11-N14 PolarHBondContact O-N 2.89Å; E11-N14 VanDerWaalsContact O-N 3.07Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.42Å; N14-G16 VanDerWaalsContact C-N 3.28Å; N14-G16 PolarHBondContact O-N 2.88Å
15L59.2Low54Low133 Ų133118.4 Ų118.470%0.69666%0.655SS**  trans-73.9-9.1-177-124.180.3000115E11 K17E11-L15 HydrophobicContact CG-CD1 4.18Å; E11-L15 WeakPolarHBondContact O-CB 3.49Å; E11-L15 PolarHBondContact O-N 3.29Å; L15-K17 PolarHBondContact O-N 3.49Å
16G52.6Low53.4Low57 Ų57120.6 Ų120.659%0.58867%0.668SS**THydrogen-bonded Turntrans-71.530.4176.500000115N14N14-G16 VanDerWaalsContact C-N 3.28Å; N14-G16 PolarHBondContact O-N 2.88Å
17K53.2Low52.7Low175 Ų175122.9 Ų122.976%0.76169%0.69SS**THydrogen-bonded Turntrans-90.4-6.5-169.8-99.8-170.8178.3179.90115.9L15L15-K17 PolarHBondContact O-N 3.49Å
18E47.2Very low51.8Low180 Ų180123.7 Ų123.784%0.84170%0.701SS**SBendtrans-129.979.3-171.4-57.4-154.5148.800113
19V51Low50.9Low149 Ų149125.9 Ų125.990%0.90371%0.711SS**  trans-173.195.7142.3-98.80000108.1G21V19-G21 PolarHBondContact O-N 3.35Å
20S38.6Very low49.8Very low133 Ų133122.2 Ų122.293%0.9372%0.724SS**  trans-74.5102.9168.445.20000109.6
21G41Very low49Very low72 Ų72127.8 Ų127.874%0.74275%0.749SS**  trans-124.8106.8165.400000108.9V19V19-G21 PolarHBondContact O-N 3.35Å
22S36.7Very low48.3Very low128 Ų128130.2 Ų130.290%0.89577%0.766SS**  trans-60.4129.4173.2-64.20000111.4
23S48.2Very low48.1Very low115 Ų115136.9 Ų136.980%0.80478%0.78SS**  trans-156.8124146.579.10000110.4
24D38.4Very low48Very low167 Ų167143 Ų14389%0.89381%0.809SS**  trans-63.6160.9-177.6-61.4-62.4000115
25G38.3Very low47.9Very low74 Ų74143.9 Ų143.976%0.76382%0.817SS**  trans115.581.9152.400000116
26F44.7Very low48.3Very low218 Ų218143.2 Ų143.296%0.95682%0.818SS**  trans-93.7101158.1-131.1-94.1000107.8
27S42.9Very low48.7Very low111 Ų111148.9 Ų148.978%0.77683%0.827SS**  trans-93.1122.9172.7-175.30000109.1K29S27-K29 PolarHBondContact O-N 3.5Å
28E41.1Very low49Very low191 Ų191144.6 Ų144.689%0.89382%0.824SS**  trans-66.6105.5172.1-71.9176143.100110.3
29K44.4Very low49.2Very low186 Ų186141.9 Ų141.981%0.80982%0.819SS**  trans-158.8112.9151.7-127.5178.8-179.5-175.60109.8S27 E31S27-K29 PolarHBondContact O-N 3.5Å; K29-E31 PolarHBondContact O-N 3.44Å; K29-E31 VanDerWaalsContact O-N 3.1Å
30G42.6Very low49.2Very low88 Ų88142.6 Ų142.691%0.90782%0.819SS**  trans-69.299.7174.700000110.6
31E47.9Very low50.1Low159 Ų159140 Ų14074%0.74381%0.805SS**  trans-111.3125.2159.3-78179.4161.100107.9K29 R33K29-E31 PolarHBondContact O-N 3.44Å; K29-E31 VanDerWaalsContact O-N 3.1Å; E31-R33 PolarHBondContact O-N 3.23Å
32N51.7Low50.5Low172 Ų172142.7 Ų142.792%0.9281%0.809SS**  trans-55.2108.9177.8-65.6-60000109.7E34N32-E34 PolarHBondContact O-N 2.91Å
33R61.4Low51.3Low239 Ų239140.6 Ų140.690%0.90280%0.8SS**  trans-83.1102.2177.3-66.6-175.4-177.81782.4109.2E31E31-R33 PolarHBondContact O-N 3.23Å
34E63.4Low51.6Low170 Ų170142 Ų14279%0.79480%0.799SS**  trans-60.6138.3172.3-170.9171.7-163.700111.4N32 V36N32-E34 PolarHBondContact O-N 2.91Å; E34-V36 PolarHBondContact O-N 3.16Å
35V60.4Low52.3Low105 Ų105141.7 Ų141.764%0.63679%0.791SS**  trans-87.197.7178-171.60000108.1F37V35-F37 HydrophobicContact CG1-CE2 4.08Å; V35-F37 HydrophobicContact CG1-CZ 4.12Å; V35-F37 PolarHBondContact O-N 3.25Å
36V68.8Low53Low118 Ų118142.2 Ų142.272%0.71578%0.783SS**  trans-82.6112.3173.9-179.20000109.2E34E34-V36 PolarHBondContact O-N 3.16Å
37F60.2Low53.7Low177 Ų177141.2 Ų141.278%0.77678%0.779SS**  trans-79.2114.2164.6-66.8-81.5000108V35 T39V35-F37 HydrophobicContact CG1-CE2 4.08Å; V35-F37 HydrophobicContact CG1-CZ 4.12Å; V35-F37 PolarHBondContact O-N 3.25Å; F37-T39 PolarHBondContact O-N 3.43Å
38A61.1Low54.5Low85 Ų85146.8 Ų146.870%0.70278%0.782SS**  trans-7593.2-176.800000110.9
39T51.2Low55.7Low122 Ų122145.8 Ų145.875%0.74878%0.775SS**SBendtrans-91.2111.1146.646.80000106.1F37F37-T39 PolarHBondContact O-N 3.43Å
40D50.9Low56.7Low165 Ų165147.6 Ų147.688%0.88278%0.777SS**SBendtrans7175.1171.6-47.7-35000117
41A57.2Low57.9Low78 Ų78151.8 Ų151.865%0.64577%0.767SS**  trans-127.1130.1162.300000111.1
42P49.3Very low59.1Low129 Ų129152.9 Ų152.984%0.83878%0.777SS**  trans-68.6144.1-177.329.3-33.4000110.9D44P42-D44 PolarHBondContact O-N 3.32Å
43A52.7Low60.3Low84 Ų84149.8 Ų149.869%0.69476%0.764SS**  trans-6180.3-174.500000114.3
44D54.6Low61.1Low145 Ų145142 Ų14278%0.77575%0.751SS**  trans-113.778.2159.8-166.46000110.2P42 S46P42-D44 PolarHBondContact O-N 3.32Å; D44-S46 VanDerWaalsContact C-N 3.32Å; D44-S46 PolarHBondContact O-N 2.98Å
45H52.6Low62Low159 Ų159142.9 Ų142.974%0.73675%0.752SS**  trans-93.557.1-179.937.5-93.7000110.9K47H45-K47 PolarHBondContact O-N 2.94Å
46S54.3Low63.3Low86 Ų86143.7 Ų143.760%0.60175%0.745SS**  trans-76.489.5169.2-1620000111.4D44 R48D44-S46 VanDerWaalsContact C-N 3.32Å; D44-S46 PolarHBondContact O-N 2.98Å; S46-R48 PolarHBondContact O-N 3.31Å
47K58.4Low64.3Low197 Ų197142.6 Ų142.686%0.85774%0.735SS**SBendtrans735.6140.5-56.3-175.2-174.5178.50122.2H45H45-K47 PolarHBondContact O-N 2.94Å
48R60.2Low65.7Low227 Ų227141.9 Ų141.986%0.85773%0.727SS**  trans-108.6105.2165-108.9179.8-69.4161.50.2111.3S46 R50S46-R48 PolarHBondContact O-N 3.31Å; R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 3.47Å
49K66.9Low67.1Low171 Ų171146.8 Ų146.874%0.74373%0.727SS**  trans-60.194.6164.6-66.8-174.6-179-178.60107.6Y51K49-Y51 HydrophobicContact CB-CE2 4.04Å; K49-Y51 WeakPolarHBondContact O-CD2 3.26Å; K49-Y51 PolarHBondContact O-N 3.42Å
50R65.2Low69Low224 Ų224143.7 Ų143.785%0.84571%0.709SS**  trans-75.5103.3173-70.7175.866.4168.8-0.6106.8R48R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 3.47Å
51Y68.2Low70.8Confident175 Ų175139 Ų13969%0.68668%0.678SS**  trans-74.6133.8170.5-61.3-82.9000108.7K49K49-Y51 HydrophobicContact CB-CE2 4.04Å; K49-Y51 WeakPolarHBondContact O-CD2 3.26Å; K49-Y51 PolarHBondContact O-N 3.42Å
52L72.5Confident72.3Confident183 Ų183140 Ų14096%0.95867%0.67SS**SBendtrans-69.9-25.6174.3-70.3171000111.8
53T76.4Confident74.2Confident107 Ų107141.5 Ų141.566%0.65666%0.663SS**SBendtrans-96.9130.6176.2-4.20000110.1K55T53-K55 PolarHBondContact O-N 2.94Å
54A78.5Confident75.9Confident76 Ų76139.9 Ų139.963%0.62864%0.642SS**  trans-58.7133.7170.200000109.7Y56A54-Y56 PolarHBondContact O-N 3.31Å
55K83.4Confident77.5Confident187 Ų187133.6 Ų133.681%0.81361%0.61SS**  trans-78.6112.6174.2-173.9-179.8179-178.10108.6T53T53-K55 PolarHBondContact O-N 2.94Å
56Y87.5Confident79.2Confident123 Ų123129.7 Ų129.748%0.48259%0.592SS.*  trans-70.1138.2173.1-66.7-65.1000111.5A54 T60 R61 I64A54-Y56 PolarHBondContact O-N 3.31Å; Y56-T60 HydrophobicContact CD1-CG2 3.53Å; Y56-T60 HydrophobicContact CE1-CG2 4.26Å; Y56-T60 HydrophobicContact CG-CG2 4.07Å; Y56-R61 PolarHBondContact O-NE 2.98Å; Y56-I64 HydrophobicContact CD1-CD1 4.18Å; Y56-I64 HydrophobicContact CD2-CD1 3.94Å; Y56-I64 HydrophobicContact CE1-CD1 4.25Å; Y56-I64 HydrophobicContact CE2-CD1 4.02Å; Y56-I64 HydrophobicContact CG-CD1 4.02Å
57D89.2Confident80.9Confident95 Ų95129.4 Ų129.451%0.50858%0.58SS.*  trans-57156.3169.2-179.638.6000110.5R59 T60 R61D57-R59 PolarHBondContact O-N 3.17Å; D57-R59 PolarHBondContact OD2-N 2.92Å; D57-T60 PolarHBondContact O-N 3.37Å; D57-T60 VanDerWaalsContact O-N 3.14Å; D57-R61 PolarHBondContact O-N 3.36Å
58R88.9Confident82.4Confident161 Ų161121.5 Ų121.561%0.60855%0.546SS*.Hα-helixtrans-50.5-44.3176.3-179.4-178173.1-160-1.2111.6R61 Q62R58-R61 PolarHBondContact O-N 3.43Å; R58-Q62 WeakPolarHBondContact O-CG 3.36Å; R58-Q62 PolarHBondContact O-N 3.36Å
59R90.7Very high83.9Confident188 Ų188116.7 Ų116.771%0.70953%0.528SS*.Hα-helixtrans-63.2-45.3-179.8-65.1-179.8178.3-174.40.5111.3D57 Q62 K63D57-R59 PolarHBondContact O-N 3.17Å; D57-R59 PolarHBondContact OD2-N 2.92Å; R59-Q62 WeakPolarHBondContact O-CB 3.48Å; R59-Q62 PolarHBondContact O-N 2.97Å; R59-K63 PolarHBondContact O-N 2.79Å
60T90.9Very high85Confident58 Ų58109.4 Ų109.436%0.35650%0.497SS..Hα-helixtrans-63.8-42.2178-51.60000111.4Y56 D57 Q62 K63 I64Y56-T60 HydrophobicContact CD1-CG2 3.53Å; Y56-T60 HydrophobicContact CE1-CG2 4.26Å; Y56-T60 HydrophobicContact CG-CG2 4.07Å; D57-T60 PolarHBondContact O-N 3.37Å; D57-T60 VanDerWaalsContact O-N 3.14Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; T60-Q62 PolarHBondContact O-N 3.3Å; T60-K63 PolarHBondContact O-N 3.35Å; T60-I64 HydrophobicContact CG2-CD1 3.88Å; T60-I64 HydrophobicContact CG2-CG1 4.44Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 3.31Å
61R88.2Confident86.1Confident65 Ų65102 Ų10225%0.24547%0.472CS..Hα-helixtrans-60.2-40.1174-73.6-174.1-75.9174.1-1.5112.5M13 Y56 D57 R58 S65M13-R61 PolarHBondContact O-NH1 3.02Å; Y56-R61 PolarHBondContact O-NE 2.98Å; D57-R61 PolarHBondContact O-N 3.36Å; R58-R61 PolarHBondContact O-N 3.43Å; R61-S65 VanDerWaalsContact O-CB 3.3Å; R61-S65 WeakPolarHBondContact O-CB 3.45Å; R61-S65 PolarHBondContact O-N 3.15Å; R61-S65 PolarHBondContact O-OG 3.49Å
62Q89.7Confident87.1Confident101 Ų10196.1 Ų96.147%0.47245%0.453SS..Hα-helixtrans-63.5-46.7176.5-74.4174.8-37.100111.5R58 R59 T60 S65 E66R58-Q62 WeakPolarHBondContact O-CG 3.36Å; R58-Q62 PolarHBondContact O-N 3.36Å; R59-Q62 WeakPolarHBondContact O-CB 3.48Å; R59-Q62 PolarHBondContact O-N 2.97Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; T60-Q62 PolarHBondContact O-N 3.3Å; Q62-S65 PolarHBondContact O-N 3.32Å; Q62-E66 PolarHBondContact O-N 2.97Å
63K88.4Confident88Confident160 Ų16088.8 Ų88.870%0.69641%0.413SS*.Hα-helixtrans-58.4-49.6176.2-71.5-173.6176.3-1700112.1R59 T60 S65 E66 K67R59-K63 PolarHBondContact O-N 2.79Å; T60-K63 PolarHBondContact O-N 3.35Å; K63-S65 VanDerWaalsContact C-N 3.3Å; K63-S65 PolarHBondContact O-N 3.04Å; K63-E66 PolarHBondContact O-N 3.48Å; K63-K67 PolarHBondContact O-N 3.29Å
64I88.1Confident88.6Confident50 Ų5084.1 Ų84.126%0.25639%0.385SS..Hα-helixtrans-58-45.4176.3-67.1166.8000110.4Y56 T60 E66 K67 I68Y56-I64 HydrophobicContact CD1-CD1 4.18Å; Y56-I64 HydrophobicContact CD2-CD1 3.94Å; Y56-I64 HydrophobicContact CE1-CD1 4.25Å; Y56-I64 HydrophobicContact CE2-CD1 4.02Å; Y56-I64 HydrophobicContact CG-CD1 4.02Å; T60-I64 HydrophobicContact CG2-CD1 3.88Å; T60-I64 HydrophobicContact CG2-CG1 4.44Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 3.31Å; I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.29Å; I64-K67 PolarHBondContact O-N 3.05Å; I64-I68 HydrophobicContact CG2-CD1 3.7Å; I64-I68 HydrophobicContact CG2-CG1 4.39Å; I64-I68 VanDerWaalsContact O-CG1 3.32Å; I64-I68 WeakPolarHBondContact O-CG1 3.49Å; I64-I68 PolarHBondContact O-N 3.31Å
65S88.6Confident89.1Confident13 Ų1385 Ų859%0.09137%0.374CS..Hα-helixtrans-65.8-31.9-180-55.10000113R61 Q62 K63 R69R61-S65 VanDerWaalsContact O-CB 3.3Å; R61-S65 WeakPolarHBondContact O-CB 3.45Å; R61-S65 PolarHBondContact O-N 3.15Å; R61-S65 PolarHBondContact O-OG 3.49Å; Q62-S65 PolarHBondContact O-N 3.32Å; K63-S65 VanDerWaalsContact C-N 3.3Å; K63-S65 PolarHBondContact O-N 3.04Å; S65-R69 WeakPolarHBondContact O-CB 3.27Å; S65-R69 VanDerWaalsContact O-CG 3.3Å; S65-R69 WeakPolarHBondContact O-CG 2.92Å; S65-R69 PolarHBondContact O-N 2.86Å; S65-R69 PolarHBondContact O-NE 2.79Å
66E89.4Confident89.3Confident76 Ų7681 Ų8136%0.35536%0.359SS..Hα-helixtrans-70.2-47.8173.3-166.163.3-119.800110.9Q62 K63 I64 I68 R69 L70Q62-E66 PolarHBondContact O-N 2.97Å; K63-E66 PolarHBondContact O-N 3.48Å; I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.29Å; E66-I68 PolarHBondContact O-N 3.04Å; E66-R69 WeakPolarHBondContact O-CB 3.41Å; E66-R69 PolarHBondContact O-N 3.25Å; E66-R69 IonicContact OE1-CZ 2.68Å; E66-R69 IonicContact OE1-NH1 2.98Å; E66-R69 PolarHBondContact OE1-NH1 3.49Å; E66-R69 IonicContact OE1-NH2 3.89Å; E66-R69 IonicContact OE2-CZ 2.63Å; E66-R69 IonicContact OE2-NH1 3.71Å; E66-R69 PolarHBondContact OE2-NH1 3.29Å; E66-R69 IonicContact OE2-NH2 2.79Å; E66-R69 PolarHBondContact OE2-NH2 3.32Å; E66-L70 HydrophobicContact CG-CD1 4.44Å; E66-L70 PolarHBondContact O-N 3.02Å
67K89.5Confident89.4Confident80 Ų8077.6 Ų77.635%0.34835%0.347SS..Hα-helixtrans-55.4-50.3177.2-179.8165.1177.8163.90111.8K63 I64 R69 L70 E71 D96K63-K67 PolarHBondContact O-N 3.29Å; I64-K67 PolarHBondContact O-N 3.05Å; K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 PolarHBondContact O-N 3.04Å; K67-L70 PolarHBondContact O-N 3.01Å; K67-L70 VanDerWaalsContact O-N 3.13Å; K67-E71 WeakPolarHBondContact CE-OE1 3.41Å; K67-E71 HydrophobicContact CG-CG 4.41Å; K67-E71 WeakPolarHBondContact CG-OE1 3.45Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.24Å; K67-D96 IonicContact NZ-OD1 2.8Å; K67-D96 IonicContact NZ-OD2 2.62Å; K67-D96 PolarHBondContact NZ-OD2 3.04Å
68I90Very high89.3Confident31 Ų3173.3 Ų73.316%0.15932%0.324CS..Hα-helixtrans-58.7-39.2176.7-66.9167.8000111.5L6 I10 M13 I64 E66 N72L6-I68 HydrophobicContact CD1-CG2 4.29Å; L6-I68 HydrophobicContact CD2-CG2 4.49Å; L6-I68 HydrophobicContact CG-CG2 4.48Å; I10-I68 HydrophobicContact CD1-CG2 4.23Å; M13-I68 HydrophobicContact CE-CD1 4.34Å; I64-I68 HydrophobicContact CG2-CD1 3.7Å; I64-I68 HydrophobicContact CG2-CG1 4.39Å; I64-I68 VanDerWaalsContact O-CG1 3.32Å; I64-I68 WeakPolarHBondContact O-CG1 3.49Å; I64-I68 PolarHBondContact O-N 3.31Å; E66-I68 PolarHBondContact O-N 3.04Å; I68-N72 WeakPolarHBondContact O-CB 3.39Å; I68-N72 PolarHBondContact O-N 3.47Å; I68-N72 PolarHBondContact O-ND2 3.31Å
69R90.5Very high89.2Confident127 Ų12769 Ų6948%0.47931%0.308SS..Hα-helixtrans-65.2-40.6178.3-83.6179.9-77.2143.5-4.2112S65 E66 K67 F73S65-R69 WeakPolarHBondContact O-CB 3.27Å; S65-R69 VanDerWaalsContact O-CG 3.3Å; S65-R69 WeakPolarHBondContact O-CG 2.92Å; S65-R69 PolarHBondContact O-N 2.86Å; S65-R69 PolarHBondContact O-NE 2.79Å; E66-R69 WeakPolarHBondContact O-CB 3.41Å; E66-R69 PolarHBondContact O-N 3.25Å; E66-R69 IonicContact OE1-CZ 2.68Å; E66-R69 IonicContact OE1-NH1 2.98Å; E66-R69 PolarHBondContact OE1-NH1 3.49Å; E66-R69 IonicContact OE1-NH2 3.89Å; E66-R69 IonicContact OE2-CZ 2.63Å; E66-R69 IonicContact OE2-NH1 3.71Å; E66-R69 PolarHBondContact OE2-NH1 3.29Å; E66-R69 IonicContact OE2-NH2 2.79Å; E66-R69 PolarHBondContact OE2-NH2 3.32Å; K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 PolarHBondContact O-N 3.04Å; R69-F73 PolarHBondContact O-N 3.14Å; R69-F73 VanDerWaalsContact O-N 3.15Å
70L90.4Very high89Confident18 Ų1865.2 Ų65.29%0.09430%0.302CS..Hα-helixtrans-70-43.9177.3-67.3173.8000111.8E66 K67 N72 F73 V74 L95 K135 L136E66-L70 HydrophobicContact CG-CD1 4.44Å; E66-L70 PolarHBondContact O-N 3.02Å; K67-L70 PolarHBondContact O-N 3.01Å; K67-L70 VanDerWaalsContact O-N 3.13Å; L70-N72 PolarHBondContact O-N 3.48Å; L70-F73 WeakPolarHBondContact O-CB 3.08Å; L70-F73 PolarHBondContact O-N 3.45Å; L70-F73 VanDerWaalsContact O-N 3.12Å; L70-V74 PolarHBondContact O-N 2.94Å; L70-L95 HydrophobicContact CB-CD1 3.49Å; L70-L95 VanDerWaalsContact CB-CD1 3.49Å; L70-K135 HydrophobicContact CD2-CB 3.49Å; L70-K135 VanDerWaalsContact CD2-CB 3.49Å; L70-K135 HydrophobicContact CD2-CD 4.48Å; L70-L136 HydrophobicContact CD1-CD2 3.95Å
71E89.3Confident88.7Confident67 Ų6763 Ų6331%0.31329%0.288SS..Hα-helixtrans-57-50.1176-74.5175.7-172.800110.8K67 F73 V74 F75 L95K67-E71 WeakPolarHBondContact CE-OE1 3.41Å; K67-E71 HydrophobicContact CG-CG 4.41Å; K67-E71 WeakPolarHBondContact CG-OE1 3.45Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.24Å; E71-F73 VanDerWaalsContact C-N 3.26Å; E71-F73 PolarHBondContact O-N 3.25Å; E71-V74 PolarHBondContact O-N 3.43Å; E71-V74 VanDerWaalsContact O-N 3.09Å; E71-F75 HydrophobicContact CB-CD2 4.35Å; E71-F75 HydrophobicContact CB-CE2 4.13Å; E71-F75 WeakPolarHBondContact O-CD2 3.31Å; E71-F75 PolarHBondContact O-N 2.87Å; E71-L95 HydrophobicContact CB-CD1 4.5Å; E71-L95 HydrophobicContact CG-CD1 3.8Å
72N88.7Confident88.6Confident53 Ų5361.5 Ų61.528%0.28328%0.282SS..Hα-helixtrans-58-39.6176.2-71.5-28.9000112.7L6 I68 L70 V74 F75 E76L6-N72 WeakPolarHBondContact CD2-ND2 3.35Å; L6-N72 WeakPolarHBondContact CD2-OD1 3.4Å; I68-N72 WeakPolarHBondContact O-CB 3.39Å; I68-N72 PolarHBondContact O-N 3.47Å; I68-N72 PolarHBondContact O-ND2 3.31Å; L70-N72 PolarHBondContact O-N 3.48Å; N72-V74 VanDerWaalsContact C-N 3.32Å; N72-V74 PolarHBondContact O-N 3.48Å; N72-F75 PolarHBondContact O-N 3.49Å; N72-E76 WeakPolarHBondContact O-CB 3.35Å; N72-E76 VanDerWaalsContact O-CG 3.23Å; N72-E76 WeakPolarHBondContact O-CG 3.47Å; N72-E76 PolarHBondContact O-N 3.02Å
73F91Very high88.2Confident29 Ų2962.3 Ų62.313%0.12730%0.298CS..Hα-helixtrans-61.9-42.8177.6170.7-93.1000111.4R69 L70 E71 H77 F128 N131 L132 K135R69-F73 PolarHBondContact O-N 3.14Å; R69-F73 VanDerWaalsContact O-N 3.15Å; L70-F73 WeakPolarHBondContact O-CB 3.08Å; L70-F73 PolarHBondContact O-N 3.45Å; L70-F73 VanDerWaalsContact O-N 3.12Å; E71-F73 VanDerWaalsContact C-N 3.26Å; E71-F73 PolarHBondContact O-N 3.25Å; F73-H77 AromaticContact CD2-CE1 3.57Å; F73-H77 AromaticContact CD2-ND1 3.73Å; F73-H77 AromaticContact CE2-CE1 3.01Å; F73-H77 WeakPolarHBondContact CE2-CE1 3.36Å; F73-H77 AromaticContact CE2-ND1 3.49Å; F73-H77 WeakPolarHBondContact CE2-ND1 3.28Å; F73-H77 AromaticContact CE2-NE2 3.52Å; F73-H77 AromaticContact CZ-CD2 3.99Å; F73-H77 AromaticContact CZ-CE1 3.47Å; F73-H77 VanDerWaalsContact CZ-CE1 3.47Å; F73-H77 WeakPolarHBondContact CZ-CE1 3.48Å; F73-H77 AromaticContact CZ-ND1 3.72Å; F73-H77 AromaticContact CZ-NE2 3.6Å; F73-H77 PolarHBondContact O-N 3.13Å; F73-H77 PolarHBondContact O-ND1 3.35Å; F73-F128 HydrophobicContact CE1-CD2 4.28Å; F73-F128 HydrophobicContact CE1-CE2 4.02Å; F73-N131 HydrophobicContact CE1-CB 4.42Å; F73-N131 HydrophobicContact CE2-CB 4.41Å; F73-N131 HydrophobicContact CZ-CB 3.6Å; F73-L132 HydrophobicContact CD1-CD1 4.02Å; F73-L132 HydrophobicContact CE1-CB 4.07Å; F73-L132 HydrophobicContact CE1-CD1 4.15Å; F73-K135 HydrophobicContact CB-CD 4.24Å; F73-K135 HydrophobicContact CD1-CD 3.85Å; F73-K135 HydrophobicContact CD2-CD 3.62Å; F73-K135 HydrophobicContact CE1-CD 4.13Å; F73-K135 HydrophobicContact CE2-CD 3.86Å; F73-K135 VanDerWaalsContact CE2-CE 3.48Å; F73-K135 HydrophobicContact CG-CD 3.6Å; F73-K135 HydrophobicContact CZ-CD 4.15Å
74V90.1Very high87.8Confident9 Ų957.2 Ų57.26%0.05528%0.28CS..Hα-helixtrans-64.2-50.2176.1172.50000111L70 E71 N72 E76 H77 L78 I93 L95 F128 L132L70-V74 PolarHBondContact O-N 2.94Å; E71-V74 PolarHBondContact O-N 3.43Å; E71-V74 VanDerWaalsContact O-N 3.09Å; N72-V74 VanDerWaalsContact C-N 3.32Å; N72-V74 PolarHBondContact O-N 3.48Å; V74-E76 PolarHBondContact O-N 3.4Å; V74-H77 PolarHBondContact O-N 3.15Å; V74-H77 VanDerWaalsContact O-N 3.15Å; V74-L78 HydrophobicContact CG1-CD1 3.71Å; V74-L78 HydrophobicContact CG1-CG 4.09Å; V74-L78 WeakPolarHBondContact O-CG 3.14Å; V74-L78 PolarHBondContact O-N 2.84Å; V74-I93 HydrophobicContact CG1-CB 4.47Å; V74-I93 HydrophobicContact CG1-CD1 4.14Å; V74-L95 HydrophobicContact CG2-CD2 4Å; V74-F128 HydrophobicContact CG1-CZ 4.17Å; V74-F128 HydrophobicContact CG2-CE2 4.45Å; V74-F128 HydrophobicContact CG2-CZ 4.19Å; V74-L132 HydrophobicContact CG2-CD1 3.72Å; V74-L132 HydrophobicContact CG2-CD2 4.21Å
75F88.1Confident87.3Confident94 Ų9463.3 Ų63.341%0.41231%0.307SS..Hα-helixtrans-58.2-46.3-179.9-74.2-62.4000112.9E71 N72 H77 L78 R79E71-F75 HydrophobicContact CB-CD2 4.35Å; E71-F75 HydrophobicContact CB-CE2 4.13Å; E71-F75 WeakPolarHBondContact O-CD2 3.31Å; E71-F75 PolarHBondContact O-N 2.87Å; N72-F75 PolarHBondContact O-N 3.49Å; F75-H77 VanDerWaalsContact C-N 3.3Å; F75-H77 PolarHBondContact O-N 3.09Å; F75-L78 PolarHBondContact O-N 3.01Å; F75-R79 WeakPolarHBondContact O-CG 3.4Å; F75-R79 PolarHBondContact O-N 3.34Å
76E88.4Confident86.9Confident103 Ų10366.9 Ų66.948%0.48133%0.329SS..Hα-helixtrans-63.4-36.1178.2-68.3-71.2143.900112N72 V74 N80N72-E76 WeakPolarHBondContact O-CB 3.35Å; N72-E76 VanDerWaalsContact O-CG 3.23Å; N72-E76 WeakPolarHBondContact O-CG 3.47Å; N72-E76 PolarHBondContact O-N 3.02Å; V74-E76 PolarHBondContact O-N 3.4Å; E76-N80 VanDerWaalsContact O-CG 3.25Å; E76-N80 PolarHBondContact O-N 3.06Å; E76-N80 PolarHBondContact O-ND2 3.33Å
77H88.3Confident86.4Confident51 Ų5167 Ų6724%0.23633%0.332CS..Hα-helixtrans-75.5-37.4176.8-78.463.9000112.7F73 V74 F75 R79 N80 L81 F128F73-H77 AromaticContact CD2-CE1 3.57Å; F73-H77 AromaticContact CD2-ND1 3.73Å; F73-H77 AromaticContact CE2-CE1 3.01Å; F73-H77 WeakPolarHBondContact CE2-CE1 3.36Å; F73-H77 AromaticContact CE2-ND1 3.49Å; F73-H77 WeakPolarHBondContact CE2-ND1 3.28Å; F73-H77 AromaticContact CE2-NE2 3.52Å; F73-H77 AromaticContact CZ-CD2 3.99Å; F73-H77 AromaticContact CZ-CE1 3.47Å; F73-H77 VanDerWaalsContact CZ-CE1 3.47Å; F73-H77 WeakPolarHBondContact CZ-CE1 3.48Å; F73-H77 AromaticContact CZ-ND1 3.72Å; F73-H77 AromaticContact CZ-NE2 3.6Å; F73-H77 PolarHBondContact O-N 3.13Å; F73-H77 PolarHBondContact O-ND1 3.35Å; V74-H77 PolarHBondContact O-N 3.15Å; V74-H77 VanDerWaalsContact O-N 3.15Å; F75-H77 VanDerWaalsContact C-N 3.3Å; F75-H77 PolarHBondContact O-N 3.09Å; H77-R79 VanDerWaalsContact C-N 3.34Å; H77-N80 WeakPolarHBondContact O-CB 3.49Å; H77-N80 PolarHBondContact O-N 2.87Å; H77-N80 VanDerWaalsContact O-N 3.15Å; H77-L81 WeakPolarHBondContact O-CG 3.5Å; H77-L81 PolarHBondContact O-N 3.04Å; H77-F128 HydrophobicContact CB-CD2 3.36Å; H77-F128 HydrophobicContact CB-CE2 3.51Å; H77-F128 HydrophobicContact CB-CG 4.39Å; H77-F128 AromaticContact CD2-CD2 3.79Å; H77-F128 AromaticContact CG-CD2 3.7Å
78L87.6Confident85.9Confident6 Ų668.6 Ų68.63%0.03134%0.344CS..Hα-helixtrans-62.6-41.6175.1-72.5176.4000111.2V74 F75 N80 L81 Y82 Y89 I93 L115V74-L78 HydrophobicContact CG1-CD1 3.71Å; V74-L78 HydrophobicContact CG1-CG 4.09Å; V74-L78 WeakPolarHBondContact O-CG 3.14Å; V74-L78 PolarHBondContact O-N 2.84Å; F75-L78 PolarHBondContact O-N 3.01Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.32Å; L78-L81 HydrophobicContact CD2-CD1 4.47Å; L78-L81 PolarHBondContact O-N 2.82Å; L78-L81 VanDerWaalsContact O-N 3.13Å; L78-Y82 HydrophobicContact CD2-CD2 4.48Å; L78-Y82 HydrophobicContact CD2-CE2 4.18Å; L78-Y82 WeakPolarHBondContact O-CD2 3.42Å; L78-Y82 PolarHBondContact O-N 2.88Å; L78-Y89 HydrophobicContact CB-CD2 3.85Å; L78-Y89 HydrophobicContact CB-CE1 4.35Å; L78-Y89 HydrophobicContact CB-CE2 3.58Å; L78-Y89 HydrophobicContact CB-CG 4.33Å; L78-Y89 HydrophobicContact CD1-CD2 3.75Å; L78-Y89 HydrophobicContact CD1-CE2 4.18Å; L78-Y89 HydrophobicContact CD1-CG 4.38Å; L78-Y89 HydrophobicContact CG-CD2 4.39Å; L78-I93 HydrophobicContact CD1-CD1 4.23Å; L78-I93 HydrophobicContact CD2-CD1 4.18Å; L78-L115 HydrophobicContact CD2-CD2 4Å
79R86.7Confident85.4Confident69 Ų6968.7 Ų68.726%0.2634%0.342SS..Hα-helixtrans-54.3-43.6170.9-75.4175.6176.4-173.6-7.3112.4F75 H77 C83 T84 D87 Y89F75-R79 WeakPolarHBondContact O-CG 3.4Å; F75-R79 PolarHBondContact O-N 3.34Å; H77-R79 VanDerWaalsContact C-N 3.34Å; R79-C83 WeakPolarHBondContact O-CA 3.32Å; R79-C83 PolarHBondContact O-N 2.93Å; R79-T84 PolarHBondContact O-N 3.18Å; R79-D87 IonicContact CZ-OD1 3.27Å; R79-D87 VanDerWaalsContact CZ-OD1 3.27Å; R79-D87 IonicContact CZ-OD2 3.79Å; R79-D87 IonicContact NE-OD1 2.77Å; R79-D87 PolarHBondContact NE-OD1 3.3Å; R79-D87 VanDerWaalsContact NH2-CG 3.31Å; R79-D87 IonicContact NH2-OD1 3Å; R79-D87 PolarHBondContact NH2-OD1 2.68Å; R79-D87 IonicContact NH2-OD2 2.79Å; R79-D87 PolarHBondContact NH2-OD2 3.02Å; R79-Y89 VanDerWaalsContact CA-OH 3.31Å; R79-Y89 WeakPolarHBondContact CA-OH 3.01Å; R79-Y89 WeakPolarHBondContact CG-OH 3.34Å; R79-Y89 PolarHBondContact N-OH 3.15Å
80N86.4Confident85Confident109 Ų10968.7 Ų68.758%0.58335%0.352SS*.Hα-helixtrans-69.9-36.9178-67.2-17.7000112.8E76 H77 L78E76-N80 VanDerWaalsContact O-CG 3.25Å; E76-N80 PolarHBondContact O-N 3.06Å; E76-N80 PolarHBondContact O-ND2 3.33Å; H77-N80 WeakPolarHBondContact O-CB 3.49Å; H77-N80 PolarHBondContact O-N 2.87Å; H77-N80 VanDerWaalsContact O-N 3.15Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.32Å
81L86Confident84.6Confident12 Ų1268.8 Ų68.86%0.06335%0.354CS..Hα-helixtrans-72.7-42.5180-72.9170.9000112.3H77 L78 C83 A120 Q124 I125 F128H77-L81 WeakPolarHBondContact O-CG 3.5Å; H77-L81 PolarHBondContact O-N 3.04Å; L78-L81 HydrophobicContact CD2-CD1 4.47Å; L78-L81 PolarHBondContact O-N 2.82Å; L78-L81 VanDerWaalsContact O-N 3.13Å; L81-C83 VanDerWaalsContact C-N 3.32Å; L81-A120 HydrophobicContact CB-CB 4.11Å; L81-A120 HydrophobicContact CD2-CB 3.59Å; L81-A120 HydrophobicContact CG-CB 4.45Å; L81-Q124 HydrophobicContact CD2-CB 3.65Å; L81-I125 HydrophobicContact CD2-CG1 4.43Å; L81-F128 HydrophobicContact CD1-CB 4.16Å; L81-F128 HydrophobicContact CD1-CD1 4.15Å; L81-F128 HydrophobicContact CD1-CG 4.07Å
82Y84.5Confident84.3Confident34 Ų3471.2 Ų71.213%0.13337%0.369CS..Hα-helixtrans-85.9-2.9179.1-78.3-94.6000113.4L78 T84 Y89 C118 P119L78-Y82 HydrophobicContact CD2-CD2 4.48Å; L78-Y82 HydrophobicContact CD2-CE2 4.18Å; L78-Y82 WeakPolarHBondContact O-CD2 3.42Å; L78-Y82 PolarHBondContact O-N 2.88Å; Y82-T84 PolarHBondContact O-N 3.32Å; Y82-T84 PolarHBondContact O-OG1 3.36Å; Y82-Y89 HydrophobicContact CD1-CD1 4.04Å; Y82-Y89 AromaticContact CD2-CD1 3.4Å; Y82-Y89 HydrophobicContact CD2-CD1 3.4Å; Y82-Y89 VanDerWaalsContact CD2-CD1 3.4Å; Y82-Y89 AromaticContact CD2-CE1 3.82Å; Y82-Y89 HydrophobicContact CD2-CE1 3.82Å; Y82-Y89 HydrophobicContact CD2-CG 4.22Å; Y82-Y89 HydrophobicContact CE1-CD1 4.42Å; Y82-Y89 AromaticContact CE2-CD1 3.85Å; Y82-Y89 HydrophobicContact CE2-CD1 3.85Å; Y82-Y89 HydrophobicContact CE2-CG 4.3Å; Y82-Y89 AromaticContact CG-CD1 3.51Å; Y82-Y89 HydrophobicContact CG-CD1 3.51Å; Y82-Y89 AromaticContact CG-CE1 3.78Å; Y82-Y89 HydrophobicContact CG-CE1 3.78Å; Y82-C118 HydrophobicContact CE2-CB 4.21Å; Y82-P119 HydrophobicContact CD1-CG 4.08Å; Y82-P119 HydrophobicContact CE1-CG 4.41Å
83C82.7Confident84.3Confident117 Ų11769.8 Ų69.879%0.79136%0.361SS*.THydrogen-bonded Turntrans49.832.1-177-65.30000113.3R79 L81R79-C83 WeakPolarHBondContact O-CA 3.32Å; R79-C83 PolarHBondContact O-N 2.93Å; L81-C83 VanDerWaalsContact C-N 3.32Å
84T79.9Confident84.1Confident53 Ų5372.3 Ų72.333%0.32538%0.376SS..  trans-133.9133.6-170-60.90000109.6R79 Y82 V86R79-T84 PolarHBondContact O-N 3.18Å; Y82-T84 PolarHBondContact O-N 3.32Å; Y82-T84 PolarHBondContact O-OG1 3.36Å; T84-V86 VanDerWaalsContact C-N 3.32Å; T84-V86 HydrophobicContact CG2-CB 3.73Å; T84-V86 HydrophobicContact CG2-CG2 4.11Å
85E77Confident84Confident179 Ų17972.6 Ų72.684%0.83638%0.377SS*.SBendtrans-80.4-17.3176.8-62.4-169172.500113.1
86V81Confident84Confident88 Ų8872.5 Ų72.553%0.53338%0.381SS..SBendtrans-76.6133.3173.1-169.90000108.2T84 D88 Y89T84-V86 VanDerWaalsContact C-N 3.32Å; T84-V86 HydrophobicContact CG2-CB 3.73Å; T84-V86 HydrophobicContact CG2-CG2 4.11Å; V86-D88 HydrophobicContact CG1-CB 3.82Å; V86-D88 PolarHBondContact O-N 3.33Å; V86-D88 VanDerWaalsContact O-N 3.15Å; V86-Y89 PolarHBondContact O-OH 3.13Å
87D79.2Confident84Confident79 Ų7971.4 Ų71.442%0.42238%0.376SS..  trans-8748178.5-58.2-41.8000110R79 Y89R79-D87 IonicContact CZ-OD1 3.27Å; R79-D87 VanDerWaalsContact CZ-OD1 3.27Å; R79-D87 IonicContact CZ-OD2 3.79Å; R79-D87 IonicContact NE-OD1 2.77Å; R79-D87 PolarHBondContact NE-OD1 3.3Å; R79-D87 VanDerWaalsContact NH2-CG 3.31Å; R79-D87 IonicContact NH2-OD1 3Å; R79-D87 PolarHBondContact NH2-OD1 2.68Å; R79-D87 IonicContact NH2-OD2 2.79Å; R79-D87 PolarHBondContact NH2-OD2 3.02Å; D87-Y89 HydrophobicContact CB-CE2 4.22Å; D87-Y89 PolarHBondContact OD1-OH 2.97Å
88D78.1Confident84.1Confident113 Ų11369 Ų6960%0.60437%0.365SS*.  trans-100.349.5-178.963.5-24000112.2V86V86-D88 HydrophobicContact CG1-CB 3.82Å; V86-D88 PolarHBondContact O-N 3.33Å; V86-D88 VanDerWaalsContact O-N 3.15Å
89Y80.6Confident84Confident32 Ų3271.6 Ų71.613%0.12538%0.383CS..  trans-78.2134.6-178.6-48-51.6000111.8L78 R79 Y82 V86 D87 C91L78-Y89 HydrophobicContact CB-CD2 3.85Å; L78-Y89 HydrophobicContact CB-CE1 4.35Å; L78-Y89 HydrophobicContact CB-CE2 3.58Å; L78-Y89 HydrophobicContact CB-CG 4.33Å; L78-Y89 HydrophobicContact CD1-CD2 3.75Å; L78-Y89 HydrophobicContact CD1-CE2 4.18Å; L78-Y89 HydrophobicContact CD1-CG 4.38Å; L78-Y89 HydrophobicContact CG-CD2 4.39Å; R79-Y89 VanDerWaalsContact CA-OH 3.31Å; R79-Y89 WeakPolarHBondContact CA-OH 3.01Å; R79-Y89 WeakPolarHBondContact CG-OH 3.34Å; R79-Y89 PolarHBondContact N-OH 3.15Å; Y82-Y89 HydrophobicContact CD1-CD1 4.04Å; Y82-Y89 AromaticContact CD2-CD1 3.4Å; Y82-Y89 HydrophobicContact CD2-CD1 3.4Å; Y82-Y89 VanDerWaalsContact CD2-CD1 3.4Å; Y82-Y89 AromaticContact CD2-CE1 3.82Å; Y82-Y89 HydrophobicContact CD2-CE1 3.82Å; Y82-Y89 HydrophobicContact CD2-CG 4.22Å; Y82-Y89 HydrophobicContact CE1-CD1 4.42Å; Y82-Y89 AromaticContact CE2-CD1 3.85Å; Y82-Y89 HydrophobicContact CE2-CD1 3.85Å; Y82-Y89 HydrophobicContact CE2-CG 4.3Å; Y82-Y89 AromaticContact CG-CD1 3.51Å; Y82-Y89 HydrophobicContact CG-CD1 3.51Å; Y82-Y89 AromaticContact CG-CE1 3.78Å; Y82-Y89 HydrophobicContact CG-CE1 3.78Å; V86-Y89 PolarHBondContact O-OH 3.13Å; D87-Y89 HydrophobicContact CB-CE2 4.22Å; D87-Y89 PolarHBondContact OD1-OH 2.97Å; Y89-C91 PolarHBondContact O-N 2.89Å
90D80.6Confident84.1Confident128 Ų12874.6 Ų74.668%0.68440%0.404SS*.SBendtrans-78.725.3174.8-159.828.4000112.5S117D90-S117 PolarHBondContact OD2-OG 3.28Å
91C82.5Confident84.3Confident20 Ų2071.6 Ų71.614%0.13539%0.388CS..  trans-137.3133.6-178.669.10000110.8Y89 K114Y89-C91 PolarHBondContact O-N 2.89Å; C91-K114 WeakPolarHBondContact CB-O 3.37Å
92D83.9Confident84.3Confident118 Ų11880.4 Ų80.463%0.63143%0.426SS*.  trans-112.6103.4179.6-164.83.4000110.7K114D92-K114 VanDerWaalsContact O-CD 3.25Å; D92-K114 WeakPolarHBondContact O-CD 3.3Å; D92-K114 WeakPolarHBondContact O-CE 3.08Å; D92-K114 PolarHBondContact O-NZ 3.36Å
93I87Confident84.6Confident22 Ų2282 Ų8211%0.11344%0.439CS..  trans-101.591.8-172.5-55.4-178000110.4V74 L78 L95 I98 L111 L115 F128V74-I93 HydrophobicContact CG1-CB 4.47Å; V74-I93 HydrophobicContact CG1-CD1 4.14Å; L78-I93 HydrophobicContact CD1-CD1 4.23Å; L78-I93 HydrophobicContact CD2-CD1 4.18Å; I93-L95 PolarHBondContact O-N 3.4Å; I93-I98 HydrophobicContact CG2-CD1 3.56Å; I93-L111 HydrophobicContact CG2-CD2 3.98Å; I93-L115 HydrophobicContact CD1-CD2 4.11Å; I93-F128 HydrophobicContact CD1-CE1 4.33Å; I93-F128 HydrophobicContact CD1-CZ 4.48Å
94D88.2Confident84.9Confident82 Ų8280 Ų8044%0.43942%0.421SS..  trans-75.3109.6171-70.7-51.8000112.7D96 E97 I98D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 PolarHBondContact O-N 3.31Å; D94-E97 HydrophobicContact CB-CB 3.69Å; D94-E97 PolarHBondContact O-N 2.96Å; D94-I98 WeakPolarHBondContact O-CD1 3.24Å; D94-I98 VanDerWaalsContact O-CG1 3.32Å; D94-I98 WeakPolarHBondContact O-CG1 3.22Å; D94-I98 PolarHBondContact O-N 3.04Å; D94-I98 VanDerWaalsContact O-N 3.14Å
95L87.9Confident85.4Confident16 Ų1683 Ų838%0.08444%0.435CS..Hα-helixtrans-67.2-33.9177.6-67.8-179.7000113.3L70 E71 V74 I93 I98 S99 L132L70-L95 HydrophobicContact CB-CD1 3.49Å; L70-L95 VanDerWaalsContact CB-CD1 3.49Å; E71-L95 HydrophobicContact CB-CD1 4.5Å; E71-L95 HydrophobicContact CG-CD1 3.8Å; V74-L95 HydrophobicContact CG2-CD2 4Å; I93-L95 PolarHBondContact O-N 3.4Å; L95-I98 PolarHBondContact O-N 3.28Å; L95-S99 VanDerWaalsContact O-CB 3.24Å; L95-S99 WeakPolarHBondContact O-CB 3.48Å; L95-S99 PolarHBondContact O-N 3.46Å; L95-L132 HydrophobicContact CD2-CD1 4.1Å
96D87.4Confident86.1Confident91 Ų9178.8 Ų78.849%0.48742%0.415SS..Hα-helixtrans-67-42.7178.2-64.9-40.4000109.9K67 D94 I98 S99 D100K67-D96 IonicContact NZ-OD1 2.8Å; K67-D96 IonicContact NZ-OD2 2.62Å; K67-D96 PolarHBondContact NZ-OD2 3.04Å; D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 PolarHBondContact O-N 3.31Å; D96-I98 PolarHBondContact O-N 2.92Å; D96-S99 WeakPolarHBondContact O-CB 3.25Å; D96-S99 PolarHBondContact O-N 3.44Å; D96-D100 VanDerWaalsContact O-CG 3.27Å; D96-D100 PolarHBondContact O-N 2.62Å
97E88.7Confident86.7Confident81 Ų8175.7 Ų75.738%0.37940%0.395SS..Hα-helixtrans-59.5-48174.9-168.8-163.8168.600111.3D94 S99 D100 L101 N110 K114D94-E97 HydrophobicContact CB-CB 3.69Å; D94-E97 PolarHBondContact O-N 2.96Å; E97-S99 VanDerWaalsContact C-N 3.32Å; E97-S99 PolarHBondContact O-N 3.32Å; E97-D100 PolarHBondContact O-N 2.8Å; E97-L101 PolarHBondContact O-N 2.91Å; E97-N110 PolarHBondContact OE1-ND2 3Å; E97-K114 IonicContact OE2-NZ 3.36Å; E97-K114 PolarHBondContact OE2-NZ 3.46Å
98I89.5Confident87.3Confident0 Ų074 Ų740%039%0.387CS..Hα-helixtrans-67.6-34.3179.6-62.1160.4000111.4I93 D94 L95 D96 D100 K107 L111 L136I93-I98 HydrophobicContact CG2-CD1 3.56Å; D94-I98 WeakPolarHBondContact O-CD1 3.24Å; D94-I98 VanDerWaalsContact O-CG1 3.32Å; D94-I98 WeakPolarHBondContact O-CG1 3.22Å; D94-I98 PolarHBondContact O-N 3.04Å; D94-I98 VanDerWaalsContact O-N 3.14Å; L95-I98 PolarHBondContact O-N 3.28Å; D96-I98 PolarHBondContact O-N 2.92Å; I98-D100 VanDerWaalsContact C-N 3.35Å; I98-K107 HydrophobicContact CG2-CB 4Å; I98-K107 HydrophobicContact CG2-CD 4.16Å; I98-K107 HydrophobicContact CG2-CG 4.01Å; I98-K107 VanDerWaalsContact O-CD 3.31Å; I98-K107 WeakPolarHBondContact O-CD 3.4Å; I98-K107 WeakPolarHBondContact O-CE 3.07Å; I98-K107 WeakPolarHBondContact O-CG 3.42Å; I98-K107 PolarHBondContact O-NZ 3.12Å; I98-L111 HydrophobicContact CD1-CD2 3.54Å; I98-L111 HydrophobicContact CD1-CG 3.97Å; I98-L111 HydrophobicContact CG2-CD1 4.47Å; I98-L136 HydrophobicContact CG2-CD1 3.8Å
99S86.6Confident87.9Confident60 Ų6077 Ų7742%0.4239%0.389SS..Hα-helixtrans-63.8-42.1176.2-179.90000111.3L95 D96 E97 L101 K107L95-S99 VanDerWaalsContact O-CB 3.24Å; L95-S99 WeakPolarHBondContact O-CB 3.48Å; L95-S99 PolarHBondContact O-N 3.46Å; D96-S99 WeakPolarHBondContact O-CB 3.25Å; D96-S99 PolarHBondContact O-N 3.44Å; E97-S99 VanDerWaalsContact C-N 3.32Å; E97-S99 PolarHBondContact O-N 3.32Å; S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact O-N 2.93Å; S99-K107 PolarHBondContact O-NZ 3.39Å
100D88.8Confident88.4Confident132 Ų13277.1 Ų77.171%0.70639%0.392SS*.Hα-helixtrans-71-19.2-176-72.4-16.3000114.1D96 E97 I98D96-D100 VanDerWaalsContact O-CG 3.27Å; D96-D100 PolarHBondContact O-N 2.62Å; E97-D100 PolarHBondContact O-N 2.8Å; I98-D100 VanDerWaalsContact C-N 3.35Å
101L90.3Very high88.9Confident46 Ų4671 Ų7124%0.24136%0.36CS..  trans-62.7138.8173.7-66.4173.7000111.6E97 S99 E106 K107 N110E97-L101 PolarHBondContact O-N 2.91Å; S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact O-N 2.93Å; L101-E106 HydrophobicContact CB-CB 4.47Å; L101-E106 HydrophobicContact CD1-CB 4.39Å; L101-E106 HydrophobicContact CD2-CB 4.48Å; L101-K107 HydrophobicContact CB-CG 3.71Å; L101-K107 HydrophobicContact CD1-CB 4.46Å; L101-K107 HydrophobicContact CD1-CG 4.01Å; L101-K107 HydrophobicContact CG-CG 4.5Å; L101-K107 WeakPolarHBondContact O-CE 3.4Å; L101-K107 PolarHBondContact O-NZ 3.28Å; L101-N110 HydrophobicContact CD1-CB 4.06Å
102K86.1Confident89.2Confident198 Ų19873.5 Ų73.586%0.86137%0.369SS*.SBendtrans-79.9-37.3-170.5-67179-177.4174.40112.9
103T90.4Very high89.5Confident67 Ų6772.9 Ų72.941%0.41136%0.362SS..SBendtrans-115.7140.3-172.2-53.60000110.9D105 E106 K107T103-D105 HydrophobicContact CG2-CB 4.13Å; T103-D105 PolarHBondContact O-N 3.03Å; T103-E106 WeakPolarHBondContact O-CB 3.41Å; T103-E106 PolarHBondContact O-N 3.01Å; T103-E106 VanDerWaalsContact O-N 3.12Å; T103-K107 PolarHBondContact O-N 2.94Å
104N89.8Confident89.6Confident75 Ų7574 Ų7440%0.40137%0.366SS..Hα-helixtrans-57.9-33.9177.3-69.3-35.8000112.2E106 K107 V108N104-E106 VanDerWaalsContact C-N 3.34Å; N104-E106 PolarHBondContact O-N 3.15Å; N104-K107 WeakPolarHBondContact O-CB 3.31Å; N104-K107 PolarHBondContact O-N 3.27Å; N104-V108 WeakPolarHBondContact O-CG2 3.46Å; N104-V108 PolarHBondContact O-N 3.15Å
105D90.5Very high89.5Confident115 Ų11570.2 Ų70.262%0.61535%0.346SS*.Hα-helixtrans-64.2-36.7178.2-60-23.5000112.7T103 R109T103-D105 HydrophobicContact CG2-CB 4.13Å; T103-D105 PolarHBondContact O-N 3.03Å; D105-R109 WeakPolarHBondContact O-CB 3.38Å; D105-R109 PolarHBondContact O-N 3.03Å
106E91.3Very high89.3Confident92 Ų9276.1 Ų76.143%0.4337%0.37SS..Hα-helixtrans-66.5-42.4174.1-64.5176.4156.100110.5L101 T103 N104 R109 N110L101-E106 HydrophobicContact CB-CB 4.47Å; L101-E106 HydrophobicContact CD1-CB 4.39Å; L101-E106 HydrophobicContact CD2-CB 4.48Å; T103-E106 WeakPolarHBondContact O-CB 3.41Å; T103-E106 PolarHBondContact O-N 3.01Å; T103-E106 VanDerWaalsContact O-N 3.12Å; N104-E106 VanDerWaalsContact C-N 3.34Å; N104-E106 PolarHBondContact O-N 3.15Å; E106-R109 PolarHBondContact O-N 3.4Å; E106-N110 WeakPolarHBondContact O-CB 3.49Å; E106-N110 PolarHBondContact O-N 3.39Å
107K92.5Very high89Confident23 Ų2375 Ų7510%0.137%0.37CS..Hα-helixtrans-60.5-46.7176.2-60.3-177.4-173-142.10111.5I98 S99 L101 T103 N104 R109 L111 L133I98-K107 HydrophobicContact CG2-CB 4Å; I98-K107 HydrophobicContact CG2-CD 4.16Å; I98-K107 HydrophobicContact CG2-CG 4.01Å; I98-K107 VanDerWaalsContact O-CD 3.31Å; I98-K107 WeakPolarHBondContact O-CD 3.4Å; I98-K107 WeakPolarHBondContact O-CE 3.07Å; I98-K107 WeakPolarHBondContact O-CG 3.42Å; I98-K107 PolarHBondContact O-NZ 3.12Å; S99-K107 PolarHBondContact O-NZ 3.39Å; L101-K107 HydrophobicContact CB-CG 3.71Å; L101-K107 HydrophobicContact CD1-CB 4.46Å; L101-K107 HydrophobicContact CD1-CG 4.01Å; L101-K107 HydrophobicContact CG-CG 4.5Å; L101-K107 WeakPolarHBondContact O-CE 3.4Å; L101-K107 PolarHBondContact O-NZ 3.28Å; T103-K107 PolarHBondContact O-N 2.94Å; N104-K107 WeakPolarHBondContact O-CB 3.31Å; N104-K107 PolarHBondContact O-N 3.27Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.2Å; K107-L111 WeakPolarHBondContact O-CB 2.91Å; K107-L111 WeakPolarHBondContact O-CG 3.43Å; K107-L111 PolarHBondContact O-N 2.77Å; K107-L133 HydrophobicContact CB-CD2 3.6Å; K107-L133 HydrophobicContact CD-CD2 3.84Å; K107-L133 HydrophobicContact CG-CD2 4.33Å
108V91.9Very high88.7Confident42 Ų4271.9 Ų71.926%0.25536%0.357SS..Hα-helixtrans-59.3-46.7175.8173.50000110.3N104 L111 K112 I129 L133N104-V108 WeakPolarHBondContact O-CG2 3.46Å; N104-V108 PolarHBondContact O-N 3.15Å; V108-L111 PolarHBondContact O-N 3.14Å; V108-K112 HydrophobicContact CG1-CD 4.13Å; V108-K112 HydrophobicContact CG1-CG 4.31Å; V108-K112 WeakPolarHBondContact O-CB 3.38Å; V108-K112 WeakPolarHBondContact O-CG 2.94Å; V108-K112 PolarHBondContact O-N 3.22Å; V108-I129 HydrophobicContact CB-CG2 4.4Å; V108-I129 HydrophobicContact CG1-CG2 4.32Å; V108-I129 HydrophobicContact CG2-CG2 4.01Å; V108-L133 HydrophobicContact CG2-CD1 3.45Å; V108-L133 VanDerWaalsContact CG2-CD1 3.45Å
109R91.5Very high88.4Confident176 Ų17676.7 Ų76.766%0.66439%0.388SS*.Hα-helixtrans-64.3-47.3-177.7-162-175.9-59.4175.92.4111.5D105 E106 K107 L111 K112 E113D105-R109 WeakPolarHBondContact O-CB 3.38Å; D105-R109 PolarHBondContact O-N 3.03Å; E106-R109 PolarHBondContact O-N 3.4Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.2Å; R109-L111 PolarHBondContact O-N 2.97Å; R109-K112 PolarHBondContact O-N 3.39Å; R109-E113 WeakPolarHBondContact O-CG 3.3Å; R109-E113 PolarHBondContact O-N 2.79Å
110N90.8Very high88.2Confident35 Ų3574.7 Ų74.719%0.18738%0.375CS..Hα-helixtrans-58.7-46.1177.5-176.9-75000111.3E97 L101 E106 K112 E113 K114E97-N110 PolarHBondContact OE1-ND2 3Å; L101-N110 HydrophobicContact CD1-CB 4.06Å; E106-N110 WeakPolarHBondContact O-CB 3.49Å; E106-N110 PolarHBondContact O-N 3.39Å; N110-K112 PolarHBondContact O-N 2.99Å; N110-E113 PolarHBondContact O-N 2.96Å; N110-K114 WeakPolarHBondContact O-CG 3.42Å; N110-K114 PolarHBondContact O-N 3.37Å; N110-K114 WeakPolarHBondContact OD1-CE 3.23Å
111L90.7Very high88.1Confident0 Ų075.5 Ų75.50%037%0.372CS..Hα-helixtrans-63-42.6176.2-78.9166.4000112.7I93 I98 K107 V108 R109 E113 K114 L115 I129 L132I93-L111 HydrophobicContact CG2-CD2 3.98Å; I98-L111 HydrophobicContact CD1-CD2 3.54Å; I98-L111 HydrophobicContact CD1-CG 3.97Å; I98-L111 HydrophobicContact CG2-CD1 4.47Å; K107-L111 WeakPolarHBondContact O-CB 2.91Å; K107-L111 WeakPolarHBondContact O-CG 3.43Å; K107-L111 PolarHBondContact O-N 2.77Å; V108-L111 PolarHBondContact O-N 3.14Å; R109-L111 PolarHBondContact O-N 2.97Å; L111-E113 VanDerWaalsContact C-N 3.34Å; L111-E113 PolarHBondContact O-N 3.11Å; L111-K114 PolarHBondContact O-N 3.24Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.29Å; L111-L115 PolarHBondContact O-N 3.25Å; L111-I129 HydrophobicContact CB-CD1 4.07Å; L111-I129 HydrophobicContact CB-CG1 3.99Å; L111-I129 HydrophobicContact CD1-CG1 4.35Å; L111-I129 HydrophobicContact CD1-CG2 4.02Å; L111-L132 HydrophobicContact CD1-CD2 3.88Å; L111-L132 HydrophobicContact CD2-CD2 3.84Å
112K90.4Very high87.9Confident73 Ų7378.3 Ų78.332%0.31738%0.384SS..Hα-helixtrans-61.7-42.1176.3-76.4-168.7178.8-1500111.6V108 R109 N110 L115 K116 D126 I129V108-K112 HydrophobicContact CG1-CD 4.13Å; V108-K112 HydrophobicContact CG1-CG 4.31Å; V108-K112 WeakPolarHBondContact O-CB 3.38Å; V108-K112 WeakPolarHBondContact O-CG 2.94Å; V108-K112 PolarHBondContact O-N 3.22Å; R109-K112 PolarHBondContact O-N 3.39Å; N110-K112 PolarHBondContact O-N 2.99Å; K112-L115 CarbonylContact O-C 3.59Å; K112-L115 PolarHBondContact O-N 2.68Å; K112-K116 VanDerWaalsContact O-CG 3.27Å; K112-K116 WeakPolarHBondContact O-CG 3.36Å; K112-K116 PolarHBondContact O-N 3.22Å; K112-K116 VanDerWaalsContact O-N 3.15Å; K112-D126 WeakPolarHBondContact CE-OD1 3.49Å; K112-D126 IonicContact NZ-OD1 2.74Å; K112-D126 PolarHBondContact NZ-OD1 2.88Å; K112-D126 IonicContact NZ-OD2 3.55Å; K112-I129 HydrophobicContact CG-CD1 3.53Å
113E90.2Very high88.1Confident104 Ų10476.2 Ų76.249%0.48638%0.377SS..Hα-helixtrans-59.7-48.6175.5-70.1-61136.800111.8R109 N110 L111 L115 K116R109-E113 WeakPolarHBondContact O-CG 3.3Å; R109-E113 PolarHBondContact O-N 2.79Å; N110-E113 PolarHBondContact O-N 2.96Å; L111-E113 VanDerWaalsContact C-N 3.34Å; L111-E113 PolarHBondContact O-N 3.11Å; E113-L115 VanDerWaalsContact C-N 3.27Å; E113-L115 PolarHBondContact O-N 3.37Å; E113-K116 WeakPolarHBondContact O-CG 3.23Å; E113-K116 PolarHBondContact O-N 3.33Å; E113-K116 WeakPolarHBondContact OE1-CE 3.32Å; E113-K116 IonicContact OE1-NZ 3.98Å; E113-K116 PolarHBondContact OE1-NZ 2.89Å; E113-K116 WeakPolarHBondContact OE2-CE 3.5Å; E113-K116 IonicContact OE2-NZ 2.63Å; E113-K116 PolarHBondContact OE2-NZ 3.17Å
114K88.5Confident88.1Confident47 Ų4777.3 Ų77.320%0.20438%0.378CS..Hα-helixtrans-63.1-32.4178.2-69.5-177.8173.3-162.40112.5C91 D92 E97 N110 L111C91-K114 WeakPolarHBondContact CB-O 3.37Å; D92-K114 VanDerWaalsContact O-CD 3.25Å; D92-K114 WeakPolarHBondContact O-CD 3.3Å; D92-K114 WeakPolarHBondContact O-CE 3.08Å; D92-K114 PolarHBondContact O-NZ 3.36Å; E97-K114 IonicContact OE2-NZ 3.36Å; E97-K114 PolarHBondContact OE2-NZ 3.46Å; N110-K114 WeakPolarHBondContact O-CG 3.42Å; N110-K114 PolarHBondContact O-N 3.37Å; N110-K114 WeakPolarHBondContact OD1-CE 3.23Å; L111-K114 PolarHBondContact O-N 3.24Å
115L86.7Confident88Confident2 Ų274.1 Ų74.11%0.0136%0.361CS..THydrogen-bonded Turntrans-92.76.6-178.8-65171.2000114.5L78 I93 L111 K112 E113 S117 C118 I125 F128 I129L78-L115 HydrophobicContact CD2-CD2 4Å; I93-L115 HydrophobicContact CD1-CD2 4.11Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.29Å; L111-L115 PolarHBondContact O-N 3.25Å; K112-L115 CarbonylContact O-C 3.59Å; K112-L115 PolarHBondContact O-N 2.68Å; E113-L115 VanDerWaalsContact C-N 3.27Å; E113-L115 PolarHBondContact O-N 3.37Å; L115-S117 PolarHBondContact O-N 3.48Å; L115-C118 WeakPolarHBondContact O-CB 3.17Å; L115-C118 PolarHBondContact O-N 3.07Å; L115-I125 HydrophobicContact CB-CG2 4.14Å; L115-I125 HydrophobicContact CD1-CG2 3.87Å; L115-F128 HydrophobicContact CD1-CD1 3.68Å; L115-F128 HydrophobicContact CD1-CE1 3.78Å; L115-I129 HydrophobicContact CD1-CD1 4.34Å; L115-I129 HydrophobicContact CD1-CG1 4.21Å
116K83.3Confident88.1Confident139 Ų13970.9 Ų70.960%0.60434%0.344SS*.THydrogen-bonded Turntrans-61.2-29.7179.2-75.6-176.7174.9174.60113.9K112 E113 C118K112-K116 VanDerWaalsContact O-CG 3.27Å; K112-K116 WeakPolarHBondContact O-CG 3.36Å; K112-K116 PolarHBondContact O-N 3.22Å; K112-K116 VanDerWaalsContact O-N 3.15Å; E113-K116 WeakPolarHBondContact O-CG 3.23Å; E113-K116 PolarHBondContact O-N 3.33Å; E113-K116 WeakPolarHBondContact OE1-CE 3.32Å; E113-K116 IonicContact OE1-NZ 3.98Å; E113-K116 PolarHBondContact OE1-NZ 2.89Å; E113-K116 WeakPolarHBondContact OE2-CE 3.5Å; E113-K116 IonicContact OE2-NZ 2.63Å; E113-K116 PolarHBondContact OE2-NZ 3.17Å; K116-C118 PolarHBondContact O-N 3.34Å
117S81.4Confident88.1Confident69 Ų6972.1 Ų72.148%0.48335%0.349SS..THydrogen-bonded Turntrans-79.5-6.1178.4-159.90000112.5D90 L115D90-S117 PolarHBondContact OD2-OG 3.28Å; L115-S117 PolarHBondContact O-N 3.48Å
118C82.5Confident88.1Confident14 Ų1471.1 Ų71.110%0.09535%0.345CS..  trans-72.6132.4-175.2-169.90000111.4Y82 L115 K116 A120 I125Y82-C118 HydrophobicContact CE2-CB 4.21Å; L115-C118 WeakPolarHBondContact O-CB 3.17Å; L115-C118 PolarHBondContact O-N 3.07Å; K116-C118 PolarHBondContact O-N 3.34Å; C118-A120 PolarHBondContact O-N 3.45Å; C118-I125 HydrophobicContact CB-CD1 4.16Å
119P81.9Confident88.1Confident102 Ų10269.2 Ų69.266%0.66233%0.334SS*.  trans-75.9-4179.231.3-36.5000114.2Y82Y82-P119 HydrophobicContact CD1-CG 4.08Å; Y82-P119 HydrophobicContact CE1-CG 4.41Å
120A81.9Confident88.1Confident18 Ų1866.5 Ų66.515%0.14933%0.328CS..SBendtrans-72.7164.1-175.900000113.4L81 C118 I125L81-A120 HydrophobicContact CB-CB 4.11Å; L81-A120 HydrophobicContact CD2-CB 3.59Å; L81-A120 HydrophobicContact CG-CB 4.45Å; C118-A120 PolarHBondContact O-N 3.45Å; A120-I125 HydrophobicContact CB-CD1 4.5Å; A120-I125 HydrophobicContact CB-CG1 4.22Å
121K88Confident88.2Confident148 Ų14866.4 Ų66.464%0.64333%0.328SS*.  trans-66.9143.8174-64.4-179.2-178.8178.40110.5E123 Q124 I125K121-E123 PolarHBondContact O-N 3.45Å; K121-E123 VanDerWaalsContact O-N 3.11Å; K121-Q124 HydrophobicContact CB-CG 4.31Å; K121-Q124 PolarHBondContact O-N 2.92Å; K121-I125 PolarHBondContact O-N 3.29Å; K121-I125 VanDerWaalsContact O-N 3.17Å
122Q86.6Confident88.2Confident105 Ų10566.4 Ų66.449%0.49133%0.328SS..Hα-helixtrans-54.5-34.8177.6-171.861.547.700112.9Q124 I125 D126Q122-Q124 PolarHBondContact O-N 3.02Å; Q122-I125 PolarHBondContact O-N 2.87Å; Q122-D126 PolarHBondContact NE2-OD1 3.04Å; Q122-D126 WeakPolarHBondContact O-CB 3.45Å; Q122-D126 PolarHBondContact O-N 2.93Å
123E89.5Confident88.2Confident154 Ų15463.8 Ų63.872%0.7232%0.317SS*.Hα-helixtrans-61-42.8176.3-64.4175.5176.300112.5K121 D126 E127K121-E123 PolarHBondContact O-N 3.45Å; K121-E123 VanDerWaalsContact O-N 3.11Å; E123-D126 PolarHBondContact O-N 3.46Å; E123-E127 WeakPolarHBondContact O-CB 3.49Å; E123-E127 PolarHBondContact O-N 3.13Å
124Q89.4Confident88.2Confident90 Ų9066 Ų6642%0.42132%0.321SS..Hα-helixtrans-70.1-37179.2-62.3176.5-66.900111.2L81 K121 Q122 F128L81-Q124 HydrophobicContact CD2-CB 3.65Å; K121-Q124 HydrophobicContact CB-CG 4.31Å; K121-Q124 PolarHBondContact O-N 2.92Å; Q122-Q124 PolarHBondContact O-N 3.02Å; Q124-F128 WeakPolarHBondContact O-CB 3.39Å; Q124-F128 PolarHBondContact O-N 3.27Å
125I89.4Confident88.2Confident9 Ų968.7 Ų68.75%0.04633%0.333CS..Hα-helixtrans-64.1-46.9174.6-63.6172.2000110L81 L115 C118 A120 K121 Q122 E127 F128 I129L81-I125 HydrophobicContact CD2-CG1 4.43Å; L115-I125 HydrophobicContact CB-CG2 4.14Å; L115-I125 HydrophobicContact CD1-CG2 3.87Å; C118-I125 HydrophobicContact CB-CD1 4.16Å; A120-I125 HydrophobicContact CB-CD1 4.5Å; A120-I125 HydrophobicContact CB-CG1 4.22Å; K121-I125 PolarHBondContact O-N 3.29Å; K121-I125 VanDerWaalsContact O-N 3.17Å; Q122-I125 PolarHBondContact O-N 2.87Å; I125-E127 PolarHBondContact O-N 3.02Å; I125-F128 WeakPolarHBondContact O-CB 3.37Å; I125-F128 PolarHBondContact O-N 3.44Å; I125-I129 HydrophobicContact CG2-CD1 3.92Å; I125-I129 VanDerWaalsContact O-CG1 3.26Å; I125-I129 WeakPolarHBondContact O-CG1 3.31Å; I125-I129 PolarHBondContact O-N 3.3Å
126D90.9Very high88.2Confident47 Ų4770.3 Ų70.325%0.25134%0.341SS..Hα-helixtrans-65-39.4179.1-74.7-13.1000111.7K112 Q122 E123 I129 Q130K112-D126 WeakPolarHBondContact CE-OD1 3.49Å; K112-D126 IonicContact NZ-OD1 2.74Å; K112-D126 PolarHBondContact NZ-OD1 2.88Å; K112-D126 IonicContact NZ-OD2 3.55Å; Q122-D126 PolarHBondContact NE2-OD1 3.04Å; Q122-D126 WeakPolarHBondContact O-CB 3.45Å; Q122-D126 PolarHBondContact O-N 2.93Å; E123-D126 PolarHBondContact O-N 3.46Å; D126-I129 PolarHBondContact O-N 2.83Å; D126-Q130 VanDerWaalsContact O-CG 3.31Å; D126-Q130 WeakPolarHBondContact O-CG 3.47Å; D126-Q130 PolarHBondContact O-N 3.39Å
127E92.3Very high87.9Confident117 Ų11773.5 Ų73.555%0.54736%0.355SS..Hα-helixtrans-61.5-46.3173-177.8178.2-176.700111.8E123 I125 I129 Q130 N131E123-E127 WeakPolarHBondContact O-CB 3.49Å; E123-E127 PolarHBondContact O-N 3.13Å; I125-E127 PolarHBondContact O-N 3.02Å; E127-I129 PolarHBondContact O-N 3.32Å; E127-Q130 PolarHBondContact O-N 3.3Å; E127-N131 WeakPolarHBondContact O-CB 3.13Å; E127-N131 PolarHBondContact O-N 3.23Å; E127-N131 PolarHBondContact O-ND2 3.37Å
128F91.4Very high88.3Confident2 Ų273.8 Ų73.81%0.00935%0.349CS..Hα-helixtrans-57-49.4175.8167.1-111.9000111.5F73 V74 H77 L81 I93 L115 Q124 I125 Q130 N131 L132F73-F128 HydrophobicContact CE1-CD2 4.28Å; F73-F128 HydrophobicContact CE1-CE2 4.02Å; V74-F128 HydrophobicContact CG1-CZ 4.17Å; V74-F128 HydrophobicContact CG2-CE2 4.45Å; V74-F128 HydrophobicContact CG2-CZ 4.19Å; H77-F128 HydrophobicContact CB-CD2 3.36Å; H77-F128 HydrophobicContact CB-CE2 3.51Å; H77-F128 HydrophobicContact CB-CG 4.39Å; H77-F128 AromaticContact CD2-CD2 3.79Å; H77-F128 AromaticContact CG-CD2 3.7Å; L81-F128 HydrophobicContact CD1-CB 4.16Å; L81-F128 HydrophobicContact CD1-CD1 4.15Å; L81-F128 HydrophobicContact CD1-CG 4.07Å; I93-F128 HydrophobicContact CD1-CE1 4.33Å; I93-F128 HydrophobicContact CD1-CZ 4.48Å; L115-F128 HydrophobicContact CD1-CD1 3.68Å; L115-F128 HydrophobicContact CD1-CE1 3.78Å; Q124-F128 WeakPolarHBondContact O-CB 3.39Å; Q124-F128 PolarHBondContact O-N 3.27Å; I125-F128 WeakPolarHBondContact O-CB 3.37Å; I125-F128 PolarHBondContact O-N 3.44Å; F128-Q130 PolarHBondContact O-N 3.24Å; F128-N131 PolarHBondContact O-N 2.84Å; F128-L132 HydrophobicContact CE1-CD2 4.32Å; F128-L132 HydrophobicContact CZ-CD2 3.99Å; F128-L132 WeakPolarHBondContact O-CB 3.37Å; F128-L132 PolarHBondContact O-N 3.36Å
129I92Very high88.6Confident3 Ų376.9 Ų76.92%0.01536%0.362CS..Hα-helixtrans-59.7-46.5179.4-68.1170.3000110.5V108 L111 K112 L115 I125 D126 E127 N131 L132 L133V108-I129 HydrophobicContact CB-CG2 4.4Å; V108-I129 HydrophobicContact CG1-CG2 4.32Å; V108-I129 HydrophobicContact CG2-CG2 4.01Å; L111-I129 HydrophobicContact CB-CD1 4.07Å; L111-I129 HydrophobicContact CB-CG1 3.99Å; L111-I129 HydrophobicContact CD1-CG1 4.35Å; L111-I129 HydrophobicContact CD1-CG2 4.02Å; K112-I129 HydrophobicContact CG-CD1 3.53Å; L115-I129 HydrophobicContact CD1-CD1 4.34Å; L115-I129 HydrophobicContact CD1-CG1 4.21Å; I125-I129 HydrophobicContact CG2-CD1 3.92Å; I125-I129 VanDerWaalsContact O-CG1 3.26Å; I125-I129 WeakPolarHBondContact O-CG1 3.31Å; I125-I129 PolarHBondContact O-N 3.3Å; D126-I129 PolarHBondContact O-N 2.83Å; E127-I129 PolarHBondContact O-N 3.32Å; I129-N131 VanDerWaalsContact C-N 3.35Å; I129-N131 PolarHBondContact O-N 3.28Å; I129-L132 PolarHBondContact O-N 2.92Å; I129-L133 HydrophobicContact CG2-CD1 3.94Å; I129-L133 HydrophobicContact CG2-CG 4.39Å; I129-L133 WeakPolarHBondContact O-CB 3.49Å; I129-L133 VanDerWaalsContact O-CG 3.28Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.33Å
130Q92.5Very high88.9Confident118 Ų11875.5 Ų75.555%0.55135%0.346SS*.Hα-helixtrans-64-38.1178.6-72.3-17918.600112.9D126 E127 F128 R134D126-Q130 VanDerWaalsContact O-CG 3.31Å; D126-Q130 WeakPolarHBondContact O-CG 3.47Å; D126-Q130 PolarHBondContact O-N 3.39Å; E127-Q130 PolarHBondContact O-N 3.3Å; F128-Q130 PolarHBondContact O-N 3.24Å; Q130-R134 WeakPolarHBondContact O-CG 3.37Å; Q130-R134 PolarHBondContact O-N 3.1Å; Q130-R134 VanDerWaalsContact O-N 3.16Å; Q130-R134 PolarHBondContact O-NE 3.04Å
131N92.8Very high89.3Confident34 Ų3478.9 Ų78.918%0.18236%0.357CS..Hα-helixtrans-68.2-40.8175.8-77.1-34.8000111.7F73 E127 F128 I129 R134 K135F73-N131 HydrophobicContact CE1-CB 4.42Å; F73-N131 HydrophobicContact CE2-CB 4.41Å; F73-N131 HydrophobicContact CZ-CB 3.6Å; E127-N131 WeakPolarHBondContact O-CB 3.13Å; E127-N131 PolarHBondContact O-N 3.23Å; E127-N131 PolarHBondContact O-ND2 3.37Å; F128-N131 PolarHBondContact O-N 2.84Å; I129-N131 VanDerWaalsContact C-N 3.35Å; I129-N131 PolarHBondContact O-N 3.28Å; N131-R134 PolarHBondContact O-N 3.45Å; N131-R134 PolarHBondContact OD1-NH2 2.99Å; N131-K135 PolarHBondContact O-N 3.32Å
132L91.5Very high89.4Confident0 Ų074.6 Ų74.60%034%0.339CS..Hα-helixtrans-62.9-47176.7-176.857.4000111.4F73 V74 L95 L111 F128 I129 R134 K135 L136F73-L132 HydrophobicContact CD1-CD1 4.02Å; F73-L132 HydrophobicContact CE1-CB 4.07Å; F73-L132 HydrophobicContact CE1-CD1 4.15Å; V74-L132 HydrophobicContact CG2-CD1 3.72Å; V74-L132 HydrophobicContact CG2-CD2 4.21Å; L95-L132 HydrophobicContact CD2-CD1 4.1Å; L111-L132 HydrophobicContact CD1-CD2 3.88Å; L111-L132 HydrophobicContact CD2-CD2 3.84Å; F128-L132 HydrophobicContact CE1-CD2 4.32Å; F128-L132 HydrophobicContact CZ-CD2 3.99Å; F128-L132 WeakPolarHBondContact O-CB 3.37Å; F128-L132 PolarHBondContact O-N 3.36Å; I129-L132 PolarHBondContact O-N 2.92Å; L132-R134 VanDerWaalsContact C-N 3.26Å; L132-R134 PolarHBondContact O-N 3.25Å; L132-K135 PolarHBondContact O-N 3.01Å; L132-L136 HydrophobicContact CD1-CD1 4.41Å; L132-L136 HydrophobicContact CG-CD1 4.07Å; L132-L136 PolarHBondContact O-N 2.85Å
133L90.5Very high89.6Confident18 Ų1872.5 Ų72.59%0.09433%0.329CS..Hα-helixtrans-63.4-30.4177.3-69.1175.4000113.2K107 V108 I129 K135 L136K107-L133 HydrophobicContact CB-CD2 3.6Å; K107-L133 HydrophobicContact CD-CD2 3.84Å; K107-L133 HydrophobicContact CG-CD2 4.33Å; V108-L133 HydrophobicContact CG2-CD1 3.45Å; V108-L133 VanDerWaalsContact CG2-CD1 3.45Å; I129-L133 HydrophobicContact CG2-CD1 3.94Å; I129-L133 HydrophobicContact CG2-CG 4.39Å; I129-L133 WeakPolarHBondContact O-CB 3.49Å; I129-L133 VanDerWaalsContact O-CG 3.28Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.33Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-L136 HydrophobicContact CD2-CD1 4.41Å
134R90.2Very high89.6Confident151 Ų15166.7 Ų66.757%0.5730%0.301SS*.Hα-helixtrans-68.2-32.2173.2-81.8-177.5-86.7179-10.9112.6Q130 N131 L132Q130-R134 WeakPolarHBondContact O-CG 3.37Å; Q130-R134 PolarHBondContact O-N 3.1Å; Q130-R134 VanDerWaalsContact O-N 3.16Å; Q130-R134 PolarHBondContact O-NE 3.04Å; N131-R134 PolarHBondContact O-N 3.45Å; N131-R134 PolarHBondContact OD1-NH2 2.99Å; L132-R134 VanDerWaalsContact C-N 3.26Å; L132-R134 PolarHBondContact O-N 3.25Å
135K88.2Confident89.6Confident103 Ų10364.9 Ų64.945%0.44829%0.292SS..Hα-helixtrans-84.1-22.8179.7-70.5-178.7167.1-71.10113.7L70 F73 N131 L132 L133 K137L70-K135 HydrophobicContact CD2-CB 3.49Å; L70-K135 VanDerWaalsContact CD2-CB 3.49Å; L70-K135 HydrophobicContact CD2-CD 4.48Å; F73-K135 HydrophobicContact CB-CD 4.24Å; F73-K135 HydrophobicContact CD1-CD 3.85Å; F73-K135 HydrophobicContact CD2-CD 3.62Å; F73-K135 HydrophobicContact CE1-CD 4.13Å; F73-K135 HydrophobicContact CE2-CD 3.86Å; F73-K135 VanDerWaalsContact CE2-CE 3.48Å; F73-K135 HydrophobicContact CG-CD 3.6Å; F73-K135 HydrophobicContact CZ-CD 4.15Å; N131-K135 PolarHBondContact O-N 3.32Å; L132-K135 PolarHBondContact O-N 3.01Å; L133-K135 VanDerWaalsContact C-N 3.32Å; K135-K137 VanDerWaalsContact C-N 3.28Å
136L86.4Confident89.6Confident36 Ų3669.6 Ų69.619%0.18831%0.313CS..  trans-77.5-10.2175.7-76.6165.3000113.9L70 I98 L132 L133L70-L136 HydrophobicContact CD1-CD2 3.95Å; I98-L136 HydrophobicContact CG2-CD1 3.8Å; L132-L136 HydrophobicContact CD1-CD1 4.41Å; L132-L136 HydrophobicContact CG-CD1 4.07Å; L132-L136 PolarHBondContact O-N 2.85Å; L133-L136 HydrophobicContact CD2-CD1 4.41Å
137K77.2Confident89.5Confident206 Ų20671.6 Ų71.690%0.89632%0.318SS*.  trans-85.40176.4-71.9-179.7-176.8-177.90111.5K135K135-K137 VanDerWaalsContact C-N 3.28Å

Retrieved 137 of 137 residues in 219.4 ms (Link to these results)