A0A077Z3B6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z3B6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 435 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
1M51.4Low61.9Low215 Ų215111.2 Ų111.2100%1.05956%0.556SS**  0-46.80-94.8-175173.900112.3I3 V4M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.43Å; M1-I3 VanDerWaalsContact O-N 3.17Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.13Å
2E60.9Low62.7Low165 Ų165111.9 Ų111.977%0.77156%0.562SS**Hα-helixtrans-54.8-37.4-164.3-63.7163.8157.200115.5V4 V5 F6E2-V4 PolarHBondContact O-N 3.35Å; E2-V5 CarbonylContact O-C 3.58Å; E2-V5 WeakPolarHBondContact O-CA 3.48Å; E2-V5 WeakPolarHBondContact O-CB 3.32Å; E2-V5 PolarHBondContact O-N 3.26Å; E2-F6 PolarHBondContact O-N 3.35Å
3I56.1Low62.9Low92 Ų92114 Ų11447%0.47257%0.572SS.*Hα-helixtrans-54-39.1176.5-63.1172.8000111.9M1 V5 F6 F7M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.43Å; M1-I3 VanDerWaalsContact O-N 3.17Å; I3-V5 VanDerWaalsContact C-N 3.32Å; I3-V5 PolarHBondContact O-N 3.16Å; I3-F6 PolarHBondContact O-N 3.28Å; I3-F7 HydrophobicContact CG2-CD2 3.77Å; I3-F7 HydrophobicContact CG2-CE2 3.82Å; I3-F7 WeakPolarHBondContact O-CD2 3.45Å; I3-F7 PolarHBondContact O-N 2.85Å
4V61.5Low62.8Low99 Ų99111.2 Ų111.260%0.656%0.564SS**Hα-helixtrans-69.4-32.7177.5-177.60000111.3M1 E2 R8M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.13Å; E2-V4 PolarHBondContact O-N 3.35Å; V4-R8 WeakPolarHBondContact O-CB 3.18Å; V4-R8 PolarHBondContact O-N 3.44Å; V4-R8 VanDerWaalsContact O-N 3.11Å
5V64.4Low62.9Low100 Ų100108.3 Ų108.361%0.60656%0.556SS**Hα-helixtrans-70.1-42.8174.6-174.60000110.3E2 I3 R8 A9E2-V5 CarbonylContact O-C 3.58Å; E2-V5 WeakPolarHBondContact O-CA 3.48Å; E2-V5 WeakPolarHBondContact O-CB 3.32Å; E2-V5 PolarHBondContact O-N 3.26Å; I3-V5 VanDerWaalsContact C-N 3.32Å; I3-V5 PolarHBondContact O-N 3.16Å; V5-R8 PolarHBondContact O-N 3.49Å; V5-A9 WeakPolarHBondContact O-CB 3.43Å; V5-A9 PolarHBondContact O-N 3.29Å
6F63.2Low62.6Low136 Ų136105 Ų10560%0.59655%0.55SS**Hα-helixtrans-60.6-53.1177-177.3-95.6000112E2 I3 R8 A9 L10E2-F6 PolarHBondContact O-N 3.35Å; I3-F6 PolarHBondContact O-N 3.28Å; F6-R8 VanDerWaalsContact C-N 3.26Å; F6-R8 PolarHBondContact O-N 3.39Å; F6-A9 PolarHBondContact O-N 3.1Å; F6-A9 VanDerWaalsContact O-N 3.15Å; F6-L10 HydrophobicContact CE1-CD1 3.79Å; F6-L10 HydrophobicContact CZ-CD1 3.92Å; F6-L10 PolarHBondContact O-N 3.23Å
7F61.7Low61.9Low49 Ų49108.4 Ų108.422%0.21556%0.556CS.*Hα-helixtrans-58.7-38.2175.6-86.9-71.7000112.3I3 L10 L11 L65I3-F7 HydrophobicContact CG2-CD2 3.77Å; I3-F7 HydrophobicContact CG2-CE2 3.82Å; I3-F7 WeakPolarHBondContact O-CD2 3.45Å; I3-F7 PolarHBondContact O-N 2.85Å; F7-L10 PolarHBondContact O-N 2.79Å; F7-L11 WeakPolarHBondContact O-CB 3.43Å; F7-L11 WeakPolarHBondContact O-CD1 3.43Å; F7-L11 PolarHBondContact O-N 3.1Å; F7-L65 HydrophobicContact CE1-CD1 4.39Å
8R66.8Low61.3Low185 Ų185105.7 Ų105.770%0.69855%0.552SS**Hα-helixtrans-69-34.7177.9-162.9176.7-164.7-174.35.4112.7V4 V5 F6 L11 L12V4-R8 WeakPolarHBondContact O-CB 3.18Å; V4-R8 PolarHBondContact O-N 3.44Å; V4-R8 VanDerWaalsContact O-N 3.11Å; V5-R8 PolarHBondContact O-N 3.49Å; F6-R8 VanDerWaalsContact C-N 3.26Å; F6-R8 PolarHBondContact O-N 3.39Å; R8-L11 WeakPolarHBondContact O-CB 3.49Å; R8-L12 VanDerWaalsContact O-CG 3.29Å; R8-L12 WeakPolarHBondContact O-CG 3.36Å; R8-L12 PolarHBondContact O-N 3.49Å; R8-L12 VanDerWaalsContact O-N 3.17Å
9A63.9Low60.5Low49 Ų49102.5 Ų102.541%0.40555%0.548SS..Hα-helixtrans-68.3-43.4172.800000111.5V5 F6 L11 L12 M13V5-A9 WeakPolarHBondContact O-CB 3.43Å; V5-A9 PolarHBondContact O-N 3.29Å; F6-A9 PolarHBondContact O-N 3.1Å; F6-A9 VanDerWaalsContact O-N 3.15Å; A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 PolarHBondContact O-N 3.48Å; A9-L12 PolarHBondContact O-N 3.4Å; A9-L12 VanDerWaalsContact O-N 3.11Å; A9-M13 WeakPolarHBondContact O-CG 3.49Å; A9-M13 PolarHBondContact O-N 3.41Å
10L67.4Low59.9Low66 Ų66102.2 Ų102.235%0.34654%0.543SS..Hα-helixtrans-67-35.1178.9-155.3149.2000111.9F6 F7 T14F6-L10 HydrophobicContact CE1-CD1 3.79Å; F6-L10 HydrophobicContact CZ-CD1 3.92Å; F6-L10 PolarHBondContact O-N 3.23Å; F7-L10 PolarHBondContact O-N 2.79Å; L10-T14 HydrophobicContact CD2-CG2 4.28Å; L10-T14 WeakPolarHBondContact O-CG2 3.41Å; L10-T14 PolarHBondContact O-N 3.07Å; L10-T14 PolarHBondContact O-OG1 3.44Å
11L63.9Low59.2Low67 Ų67103 Ų10335%0.35155%0.547SS..Hα-helixtrans-55.5-51165.2-110.683.3000112.4F7 R8 A9 T14 C15 Y62F7-L11 WeakPolarHBondContact O-CB 3.43Å; F7-L11 WeakPolarHBondContact O-CD1 3.43Å; F7-L11 PolarHBondContact O-N 3.1Å; R8-L11 WeakPolarHBondContact O-CB 3.49Å; A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 PolarHBondContact O-N 3.48Å; L11-T14 PolarHBondContact O-N 3.04Å; L11-T14 PolarHBondContact O-OG1 2.79Å; L11-C15 WeakPolarHBondContact O-CB 3.32Å; L11-C15 PolarHBondContact O-N 3.36Å; L11-C15 PolarHBondContact O-SG 3.15Å; L11-Y62 HydrophobicContact CD1-CD1 4.31Å; L11-Y62 HydrophobicContact CD1-CE1 3.73Å; L11-Y62 HydrophobicContact CD2-CD1 4.31Å; L11-Y62 HydrophobicContact CD2-CE1 3.74Å; L11-Y62 HydrophobicContact CG-CD1 4.44Å; L11-Y62 HydrophobicContact CG-CE1 3.56Å
12L71.2Confident58.9Low120 Ų120100.7 Ų100.763%0.62853%0.534SS*.Hα-helixtrans-65.7-40.3-177.2-71.5166.3000111.8R8 A9 C15 A16R8-L12 VanDerWaalsContact O-CG 3.29Å; R8-L12 WeakPolarHBondContact O-CG 3.36Å; R8-L12 PolarHBondContact O-N 3.49Å; R8-L12 VanDerWaalsContact O-N 3.17Å; A9-L12 PolarHBondContact O-N 3.4Å; A9-L12 VanDerWaalsContact O-N 3.11Å; L12-C15 PolarHBondContact O-N 3.48Å; L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.25Å
13M65.8Low57.9Low139 Ų13998.4 Ų98.469%0.68553%0.531SS*.Hα-helixtrans-63.5-45.8175.9-69.4-61.3-68.200112.2A9 C15 A16 Y17A9-M13 WeakPolarHBondContact O-CG 3.49Å; A9-M13 PolarHBondContact O-N 3.41Å; M13-C15 PolarHBondContact O-N 3.41Å; M13-A16 PolarHBondContact O-N 3.12Å; M13-Y17 WeakPolarHBondContact O-CB 3.37Å; M13-Y17 PolarHBondContact O-N 3.42Å
14T61.4Low57.2Low75 Ų75101.2 Ų101.246%0.4655%0.546SS..Hα-helixtrans-66.6-36.9178.547.40000112.4L10 L11 A18L10-T14 HydrophobicContact CD2-CG2 4.28Å; L10-T14 WeakPolarHBondContact O-CG2 3.41Å; L10-T14 PolarHBondContact O-N 3.07Å; L10-T14 PolarHBondContact O-OG1 3.44Å; L11-T14 PolarHBondContact O-N 3.04Å; L11-T14 PolarHBondContact O-OG1 2.79Å; T14-A18 WeakPolarHBondContact O-CB 3.33Å; T14-A18 PolarHBondContact O-N 3.16Å
15C63.6Low56.4Low67 Ų67101.5 Ų101.545%0.45355%0.55SS..Hα-helixtrans-70.4-38.3175.5-67.10000112.5L11 L12 M13 G19 Y62L11-C15 WeakPolarHBondContact O-CB 3.32Å; L11-C15 PolarHBondContact O-N 3.36Å; L11-C15 PolarHBondContact O-SG 3.15Å; L12-C15 PolarHBondContact O-N 3.48Å; M13-C15 PolarHBondContact O-N 3.41Å; C15-G19 PolarHBondContact O-N 2.93Å; C15-G19 VanDerWaalsContact O-N 3.12Å; C15-Y62 PolarHBondContact SG-OH 3.4Å; C15-Y62 VanDerWaalsContact SG-OH 3.41Å
16A57.7Low55.3Low56 Ų56102.2 Ų102.246%0.46356%0.556SS.*Hα-helixtrans-65.1-42.3174.400000112L12 M13 G19 Q20L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.25Å; M13-A16 PolarHBondContact O-N 3.12Å; A16-G19 PolarHBondContact O-N 3.31Å; A16-Q20 PolarHBondContact O-N 3.22Å
17Y51.8Low54.2Low163 Ų163107.4 Ų107.464%0.63957%0.572SS**Hα-helixtrans-67.6-39.2178.4-165.8-100.7000112.5M13 Q20M13-Y17 WeakPolarHBondContact O-CB 3.37Å; M13-Y17 PolarHBondContact O-N 3.42Å; Y17-Q20 PolarHBondContact O-N 3.23Å
18A51.1Low53.4Low60 Ų60111 Ų11150%0.49660%0.598SS.*Hα-helixtrans-60.9-45.9173.500000111.8T14 Q20 N21T14-A18 WeakPolarHBondContact O-CB 3.33Å; T14-A18 PolarHBondContact O-N 3.16Å; A18-Q20 VanDerWaalsContact C-N 3.28Å; A18-Q20 PolarHBondContact O-N 3.39Å; A18-N21 PolarHBondContact O-N 2.92Å
19G46.5Very low52Low45 Ų45111 Ų11146%0.46461%0.606SS.*Hα-helixtrans-66.4-20.7-178.300000115.4C15 A16C15-G19 PolarHBondContact O-N 2.93Å; C15-G19 VanDerWaalsContact O-N 3.12Å; A16-G19 PolarHBondContact O-N 3.31Å
20Q47.9Very low50.9Low95 Ų95114.3 Ų114.344%0.44463%0.626SS.*Hα-helixtrans-74.1-34.4176.6-74.3-177-5.600112.8A16 Y17 A18 E22 T23 I359A16-Q20 PolarHBondContact O-N 3.22Å; Y17-Q20 PolarHBondContact O-N 3.23Å; A18-Q20 VanDerWaalsContact C-N 3.28Å; A18-Q20 PolarHBondContact O-N 3.39Å; Q20-E22 VanDerWaalsContact C-N 3.25Å; Q20-E22 PolarHBondContact O-N 2.98Å; Q20-T23 PolarHBondContact O-N 3.07Å; Q20-T23 PolarHBondContact O-OG1 2.85Å; Q20-I359 VanDerWaalsContact NE2-CD1 3.28Å
21N45.7Very low49.4Very low121 Ų121116.5 Ų116.565%0.64765%0.647SS**THydrogen-bonded Turntrans-73.6-10.5-176.1-75.5-45.7000114.3A18 T23A18-N21 PolarHBondContact O-N 2.92Å; N21-T23 VanDerWaalsContact C-N 3.28Å; N21-T23 PolarHBondContact O-N 3.05Å
22E43.6Very low48.1Very low166 Ų166119.1 Ų119.178%0.77667%0.67SS**THydrogen-bonded Turntrans-81.8-0.3175.6-65.1-164.6142.300113.8Q20 I24Q20-E22 VanDerWaalsContact C-N 3.25Å; Q20-E22 PolarHBondContact O-N 2.98Å; E22-I24 PolarHBondContact O-N 3.07Å
23T40.1Very low46.7Very low117 Ų117118.5 Ų118.572%0.71868%0.675SS**  trans-76.362.9177.450.70000113.5Q20 N21 P25Q20-T23 PolarHBondContact O-N 3.07Å; Q20-T23 PolarHBondContact O-OG1 2.85Å; N21-T23 VanDerWaalsContact C-N 3.28Å; N21-T23 PolarHBondContact O-N 3.05Å; T23-P25 VanDerWaalsContact O-CD 3.29Å; T23-P25 WeakPolarHBondContact O-CD 3.31Å
24I42.5Very low45.4Very low151 Ų151120.4 Ų120.477%0.77468%0.682SS**  trans-63115.6164.9-58.5175.6000107.9E22E22-I24 PolarHBondContact O-N 3.07Å
25P43.3Very low44.3Very low105 Ų105124.4 Ų124.468%0.68270%0.701SS**  trans-66.1141.5177.527.7-34000110T23 R27T23-P25 VanDerWaalsContact O-CD 3.29Å; T23-P25 WeakPolarHBondContact O-CD 3.31Å; P25-R27 PolarHBondContact O-N 3.17Å
26P41.2Very low43.2Very low114 Ų114129.1 Ų129.174%0.7472%0.716SS**  trans-60.4131.9-177.424.9-34000110.5T28P26-T28 VanDerWaalsContact C-N 3.33Å; P26-T28 PolarHBondContact O-N 3.33Å
27R41.9Very low42.6Very low245 Ų245134.7 Ų134.793%0.92573%0.732SS**  trans-7186.4-178.5-167-176.7-161.7173.95.5109.6P25 E29P25-R27 PolarHBondContact O-N 3.17Å; R27-E29 PolarHBondContact O-N 3.18Å; R27-E29 VanDerWaalsContact O-N 3.12Å
28T44.2Very low41.9Very low124 Ų124135.7 Ų135.776%0.76174%0.74SS**  trans-62.8111.4-176.936.60000111.6P26 S30P26-T28 VanDerWaalsContact C-N 3.33Å; P26-T28 PolarHBondContact O-N 3.33Å; T28-S30 PolarHBondContact O-N 2.98Å
29E36.6Very low41.6Very low186 Ų186144.4 Ų144.487%0.86976%0.761SS**  trans-73.690.2178.3-60.9-172.2150.800110.9R27 S31R27-E29 PolarHBondContact O-N 3.18Å; R27-E29 VanDerWaalsContact O-N 3.12Å; E29-S31 PolarHBondContact O-N 3.12Å
30S41.9Very low41.1Very low119 Ų119148.8 Ų148.883%0.83277%0.773SS**  trans-82.486.6166.465.20000109.9T28T28-S30 PolarHBondContact O-N 2.98Å
31S36Very low40.9Very low112 Ų112149.7 Ų149.778%0.78379%0.79SS**  trans-69.5130.617848.30000112.5E29E29-S31 PolarHBondContact O-N 3.12Å
32C36.4Very low40.3Very low122 Ų122151 Ų15182%0.82480%0.797SS**  trans-159.5136.8154.1-121.70000113.7
33S41.3Very low40.2Very low107 Ų107150 Ų15075%0.74880%0.802SS**  trans41.899163.460.80000119
34Q37.7Very low40.1Very low178 Ų178148 Ų14883%0.83280%0.797SS**  trans-23.6139.8141.2-58.7153.7-60.900114.8
35N39.1Very low39.9Very low160 Ų160146.4 Ų146.486%0.85680%0.799SS**  -159.5163.1104.2-104.8-21.3000112.9
36E40.3Very low39.6Very low165 Ų165147.8 Ų147.877%0.77180%0.801SS**  trans-83148.8-165-51.4177.111300113.1
37H45.7Very low39.6Very low173 Ų173149.5 Ų149.580%0.80180%0.802SS**  -169.375.1122.3-98.4-55.1000113.2W39H37-W39 PolarHBondContact O-N 3.21Å
38K37.9Very low39.3Very low184 Ų184147.1 Ų147.180%0.880%0.799SS**  trans-4.3105.4144.4-178.2-178.8-176.2173.60115.8
39W44.2Very low39.1Very low244 Ų244146.3 Ų146.392%0.92479%0.794SS**  trans-131.1140.3156.4-92.680.5000109.7H37H37-W39 PolarHBondContact O-N 3.21Å
40N36.5Very low39.2Very low136 Ų136141.9 Ų141.973%0.72778%0.776SS**  trans-87.1135.6-170.7-55.3-16.8000111.5
41S43.7Very low39.3Very low114 Ų114140.6 Ų140.680%0.79777%0.765SS**  trans-150.2103.4147.259.60000109.9
42D32.8Very low39.8Very low148 Ų148141.7 Ų141.779%0.79176%0.76SS**  trans-61.8174.2156.4-65.4-73.8000110.6
43V40.2Very low39.9Very low147 Ų147139.7 Ų139.789%0.89175%0.748SS**  trans90139.9179.3-172.50000114.5
44A39.5Very low39.9Very low73 Ų73138.7 Ų138.760%0.60374%0.738SS**  trans68.152.6177.100000116.6D46A44-D46 PolarHBondContact O-N 3.02Å
45S37.4Very low40.1Very low118 Ų118141.4 Ų141.483%0.82574%0.74SS**  trans-73.762.6150.863.60000110.2I47S45-I47 PolarHBondContact O-N 3.27Å; S45-I47 VanDerWaalsContact O-N 3.08Å
46D38.1Very low40.5Very low134 Ų134142.7 Ų142.772%0.71774%0.739SS**  trans-67.2108.7175.5-80.7-31.1000108.7A44 F48A44-D46 PolarHBondContact O-N 3.02Å; D46-F48 VanDerWaalsContact C-N 3.29Å; D46-F48 PolarHBondContact O-N 3.37Å
47I40.1Very low40.9Very low151 Ų151137.5 Ų137.577%0.77472%0.72SS**  trans-69.693.4173.8-59.1175.4000106.6S45 V49S45-I47 PolarHBondContact O-N 3.27Å; S45-I47 VanDerWaalsContact O-N 3.08Å; I47-V49 HydrophobicContact CG2-CG2 4.21Å; I47-V49 PolarHBondContact O-N 3.27Å
48F35.4Very low41.4Very low194 Ų194132.1 Ų132.185%0.85170%0.702SS**  trans-6590.3168.3-121.5-90.8000107.9D46 D50D46-F48 VanDerWaalsContact C-N 3.29Å; D46-F48 PolarHBondContact O-N 3.37Å; F48-D50 PolarHBondContact O-N 3.2Å
49V40Very low42.1Very low107 Ų107125.6 Ų125.665%0.64868%0.682SS**  trans-63108.4170.3177.80000106.2I47 P51I47-V49 HydrophobicContact CG2-CG2 4.21Å; I47-V49 PolarHBondContact O-N 3.27Å; V49-P51 WeakPolarHBondContact O-CD 3.33Å; V49-P51 VanDerWaalsContact O-N 3.1Å
50D38.7Very low42.9Very low93 Ų93123.6 Ų123.650%0.49768%0.675SS.*  trans-55.3116.1177.8-170.5-28.7000108.6F48 I52 S53F48-D50 PolarHBondContact O-N 3.2Å; D50-I52 PolarHBondContact O-N 2.76Å; D50-I52 VanDerWaalsContact O-N 3.1Å; D50-I52 WeakPolarHBondContact OD1-CB 3.29Å; D50-I52 PolarHBondContact OD1-N 3.12Å; D50-I52 VanDerWaalsContact OD1-N 3.09Å; D50-S53 WeakPolarHBondContact O-CA 3.46Å; D50-S53 WeakPolarHBondContact O-CB 3.42Å; D50-S53 PolarHBondContact O-N 3.3Å
51P43.6Very low44Very low92 Ų92123.2 Ų123.260%0.59767%0.672SS**G310 helixtrans-65.4-16.8-173.626.6-34.7000112.3V49 S53 T54V49-P51 WeakPolarHBondContact O-CD 3.33Å; V49-P51 VanDerWaalsContact O-N 3.1Å; P51-S53 VanDerWaalsContact C-N 3.31Å; P51-T54 PolarHBondContact O-OG1 3.43Å
52I46.4Very low44.7Very low135 Ų135121.3 Ų121.369%0.69265%0.648SS**G310 helixtrans-78.8-19.5174.8-55.1176.9000110.9D50 T54D50-I52 PolarHBondContact O-N 2.76Å; D50-I52 VanDerWaalsContact O-N 3.1Å; D50-I52 WeakPolarHBondContact OD1-CB 3.29Å; D50-I52 PolarHBondContact OD1-N 3.12Å; D50-I52 VanDerWaalsContact OD1-N 3.09Å; I52-T54 PolarHBondContact O-N 3.25Å
53S39.5Very low46.4Very low80 Ų80119.4 Ų119.456%0.55964%0.636SS**G310 helixtrans-73.80.5173.5-159.90000113.4D50 P51 R55D50-S53 WeakPolarHBondContact O-CA 3.46Å; D50-S53 WeakPolarHBondContact O-CB 3.42Å; D50-S53 PolarHBondContact O-N 3.3Å; P51-S53 VanDerWaalsContact C-N 3.31Å; S53-R55 PolarHBondContact O-N 3.37Å
54T41.8Very low47.9Very low87 Ų87114.4 Ų114.453%0.53461%0.614SS.*  trans-65.197.2166.756.10000109.7P51 I52 F56P51-T54 PolarHBondContact O-OG1 3.43Å; I52-T54 PolarHBondContact O-N 3.25Å; T54-F56 PolarHBondContact O-N 3.1Å
55R41.9Very low49.2Very low234 Ų234113.9 Ų113.988%0.88360%0.601SS**  trans-67.766.2173.6-65.5-177.2177.7-173.5-2.3111.8S53 S57S53-R55 PolarHBondContact O-N 3.37Å; R55-S57 PolarHBondContact O-N 3.46Å
56F46.8Very low50.8Low188 Ų188111.9 Ų111.983%0.82558%0.583SS**  trans-62.177.1146.8-86-82000107.2T54 S58T54-F56 PolarHBondContact O-N 3.1Å; F56-S58 PolarHBondContact O-N 3.5Å; F56-S58 VanDerWaalsContact O-N 3.15Å
57S49.5Very low52.4Low56 Ų56110 Ų11039%0.39257%0.573SS.*  trans-55.8124.3-179.7-176.50000107.8R55 A59 W60R55-S57 PolarHBondContact O-N 3.46Å; S57-A59 PolarHBondContact O-N 3.35Å; S57-A59 WeakPolarHBondContact OG-CB 3.16Å; S57-W60 PolarHBondContact O-N 2.95Å
58S54.8Low53.7Low59 Ų59106.4 Ų106.441%0.41356%0.555SS.*Hα-helixtrans-53.9-25176.8500000111.6F56 W60 L61 Y62F56-S58 PolarHBondContact O-N 3.5Å; F56-S58 VanDerWaalsContact O-N 3.15Å; S58-W60 VanDerWaalsContact C-N 3.26Å; S58-W60 PolarHBondContact O-N 3.38Å; S58-L61 PolarHBondContact O-N 3.24Å; S58-L61 VanDerWaalsContact O-N 3.11Å; S58-Y62 VanDerWaalsContact O-CD2 3.26Å; S58-Y62 WeakPolarHBondContact O-CD2 3.45Å; S58-Y62 PolarHBondContact O-N 3.08Å
59A52.4Low55.3Low47 Ų47100.1 Ų100.139%0.38853%0.529SS..Hα-helixtrans-51.6-34.9168.200000114.7S57 M63S57-A59 PolarHBondContact O-N 3.35Å; S57-A59 WeakPolarHBondContact OG-CB 3.16Å; A59-M63 VanDerWaalsContact O-CB 3.32Å; A59-M63 WeakPolarHBondContact O-CB 3.37Å; A59-M63 WeakPolarHBondContact O-CG 3.44Å; A59-M63 PolarHBondContact O-N 3.32Å
60W62.3Low56.8Low203 Ų203100 Ų10077%0.76952%0.524SS*.Hα-helixtrans-69.6-40.5176.2-76.6108.7000112.1S57 S58 G64S57-W60 PolarHBondContact O-N 2.95Å; S58-W60 VanDerWaalsContact C-N 3.26Å; S58-W60 PolarHBondContact O-N 3.38Å; W60-G64 PolarHBondContact O-N 2.89Å
61L59.6Low58.2Low127 Ų127100 Ų10067%0.66553%0.528SS*.Hα-helixtrans-68.2-40.5173.6-68.6171.8000111S58 G64 L65S58-L61 PolarHBondContact O-N 3.24Å; S58-L61 VanDerWaalsContact O-N 3.11Å; L61-G64 PolarHBondContact O-N 3.26Å; L61-L65 VanDerWaalsContact O-CB 3.26Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 PolarHBondContact O-N 3.01Å
62Y58.5Low59.2Low75 Ų7597.2 Ų97.229%0.29451%0.51SS..Hα-helixtrans-64.1-45.6175.6-61.9-33.2000112.5L11 C15 S58 L65 V66L11-Y62 HydrophobicContact CD1-CD1 4.31Å; L11-Y62 HydrophobicContact CD1-CE1 3.73Å; L11-Y62 HydrophobicContact CD2-CD1 4.31Å; L11-Y62 HydrophobicContact CD2-CE1 3.74Å; L11-Y62 HydrophobicContact CG-CD1 4.44Å; L11-Y62 HydrophobicContact CG-CE1 3.56Å; C15-Y62 PolarHBondContact SG-OH 3.4Å; C15-Y62 VanDerWaalsContact SG-OH 3.41Å; S58-Y62 VanDerWaalsContact O-CD2 3.26Å; S58-Y62 WeakPolarHBondContact O-CD2 3.45Å; S58-Y62 PolarHBondContact O-N 3.08Å; Y62-L65 PolarHBondContact O-N 3.19Å; Y62-V66 WeakPolarHBondContact O-CB 3.32Å; Y62-V66 VanDerWaalsContact O-CG2 3.27Å; Y62-V66 WeakPolarHBondContact O-CG2 3.36Å; Y62-V66 PolarHBondContact O-N 3.07Å
63M67.6Low60.3Low108 Ų10897.2 Ų97.253%0.53251%0.509SS..Hα-helixtrans-61.9-47175.6-73.4-61.5-54.800111.1A59 L65 V66 D67A59-M63 VanDerWaalsContact O-CB 3.32Å; A59-M63 WeakPolarHBondContact O-CB 3.37Å; A59-M63 WeakPolarHBondContact O-CG 3.44Å; A59-M63 PolarHBondContact O-N 3.32Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 2.84Å; M63-V66 PolarHBondContact O-N 3.05Å; M63-D67 WeakPolarHBondContact O-CB 3.16Å; M63-D67 PolarHBondContact O-N 2.77Å
64G72.3Confident61.8Low42 Ų4296.6 Ų96.643%0.43352%0.516SS..Hα-helixtrans-62.4-37.6178.100000113.5W60 L61 L68W60-G64 PolarHBondContact O-N 2.89Å; L61-G64 PolarHBondContact O-N 3.26Å; G64-L68 VanDerWaalsContact O-CB 3.25Å; G64-L68 WeakPolarHBondContact O-CB 3.46Å; G64-L68 PolarHBondContact O-N 3.32Å
65L65.9Low63.3Low62 Ų6296.7 Ų96.733%0.32551%0.511SS..Hα-helixtrans-75.2-33.1177.7-169.2137.2000112.3F7 L61 Y62 M63 M69F7-L65 HydrophobicContact CE1-CD1 4.39Å; L61-L65 VanDerWaalsContact O-CB 3.26Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 PolarHBondContact O-N 3.01Å; Y62-L65 PolarHBondContact O-N 3.19Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 2.84Å; L65-M69 HydrophobicContact CD2-CG 4.32Å; L65-M69 WeakPolarHBondContact O-CB 3.35Å; L65-M69 WeakPolarHBondContact O-CG 3.15Å; L65-M69 PolarHBondContact O-N 3.19Å
66V71.5Confident64.4Low75 Ų7590.1 Ų90.146%0.45550%0.501SS..Hα-helixtrans-68.6-49.5171.9169.60000111Y62 M63 L68 M69 D70Y62-V66 WeakPolarHBondContact O-CB 3.32Å; Y62-V66 VanDerWaalsContact O-CG2 3.27Å; Y62-V66 WeakPolarHBondContact O-CG2 3.36Å; Y62-V66 PolarHBondContact O-N 3.07Å; M63-V66 PolarHBondContact O-N 3.05Å; V66-L68 PolarHBondContact O-N 2.99Å; V66-M69 PolarHBondContact O-N 2.87Å; V66-D70 PolarHBondContact O-N 3.26Å
67D72.2Confident65.2Low95 Ų9584.6 Ų84.651%0.50849%0.49SS..Hα-helixtrans-58.8-36.7176.9-77.1-15.3000111.7M63 T71M63-D67 WeakPolarHBondContact O-CB 3.16Å; M63-D67 PolarHBondContact O-N 2.77Å; D67-T71 VanDerWaalsContact O-CB 3.29Å; D67-T71 WeakPolarHBondContact O-CB 3.49Å; D67-T71 PolarHBondContact O-N 3.22Å; D67-T71 PolarHBondContact O-OG1 2.82Å
68L67.6Low66.2Low75 Ų7589.3 Ų89.339%0.39351%0.511SS..Hα-helixtrans-65.2-46.6173.2-178.465.2000111.8G64 V66 T71 V72G64-L68 VanDerWaalsContact O-CB 3.25Å; G64-L68 WeakPolarHBondContact O-CB 3.46Å; G64-L68 PolarHBondContact O-N 3.32Å; V66-L68 PolarHBondContact O-N 2.99Å; L68-T71 PolarHBondContact O-N 3.05Å; L68-V72 VanDerWaalsContact O-CB 3.31Å; L68-V72 WeakPolarHBondContact O-CB 3.47Å; L68-V72 WeakPolarHBondContact O-CG2 3.2Å; L68-V72 PolarHBondContact O-N 3.03Å
69M69Low67Low63 Ų6386.8 Ų86.831%0.3149%0.494SS..Hα-helixtrans-67.4-39.4-179.3-71.6-73.7-97.800112.4L65 V66 V72 I73L65-M69 HydrophobicContact CD2-CG 4.32Å; L65-M69 WeakPolarHBondContact O-CB 3.35Å; L65-M69 WeakPolarHBondContact O-CG 3.15Å; L65-M69 PolarHBondContact O-N 3.19Å; V66-M69 PolarHBondContact O-N 2.87Å; M69-V72 WeakPolarHBondContact O-CB 3.49Å; M69-V72 PolarHBondContact O-N 3.42Å; M69-I73 WeakPolarHBondContact O-CD1 3.21Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.46Å; M69-I73 PolarHBondContact O-N 3.06Å
70D70.7Confident68.1Low103 Ų10389.9 Ų89.955%0.55150%0.503SS*.Hα-helixtrans-67-38.1173.8-82.1-5.4000111.6V66 V72 I73 G74V66-D70 PolarHBondContact O-N 3.26Å; D70-V72 VanDerWaalsContact C-N 3.34Å; D70-I73 PolarHBondContact O-N 2.96Å; D70-G74 PolarHBondContact O-N 3.15Å; D70-G74 VanDerWaalsContact O-N 3.11Å
71T68.4Low69Low94 Ų9482.4 Ų82.458%0.57749%0.489SS*.Hα-helixtrans-63-42.1172.7-60.40000111.3D67 L68 G74 M75D67-T71 VanDerWaalsContact O-CB 3.29Å; D67-T71 WeakPolarHBondContact O-CB 3.49Å; D67-T71 PolarHBondContact O-N 3.22Å; D67-T71 PolarHBondContact O-OG1 2.82Å; L68-T71 PolarHBondContact O-N 3.05Å; T71-G74 PolarHBondContact O-N 2.9Å; T71-M75 WeakPolarHBondContact O-CG 3.26Å
72V65.3Low69.9Low34 Ų3481.7 Ų81.721%0.20648%0.483CS..Hα-helixtrans-60.6-47.3175.1148.30000111.7L68 M69 D70 G74 M75 L83L68-V72 VanDerWaalsContact O-CB 3.31Å; L68-V72 WeakPolarHBondContact O-CB 3.47Å; L68-V72 WeakPolarHBondContact O-CG2 3.2Å; L68-V72 PolarHBondContact O-N 3.03Å; M69-V72 WeakPolarHBondContact O-CB 3.49Å; M69-V72 PolarHBondContact O-N 3.42Å; D70-V72 VanDerWaalsContact C-N 3.34Å; V72-G74 PolarHBondContact O-N 2.93Å; V72-M75 PolarHBondContact O-N 3.34Å; V72-L83 HydrophobicContact CB-CD1 4.05Å; V72-L83 HydrophobicContact CB-CG 4.49Å; V72-L83 HydrophobicContact CG1-CD1 3.87Å; V72-L83 HydrophobicContact CG1-CD2 3.97Å; V72-L83 HydrophobicContact CG1-CG 3.86Å; V72-L83 HydrophobicContact CG2-CD1 3.95Å; V72-L83 HydrophobicContact CG2-CG 4.32Å; V72-L83 WeakPolarHBondContact O-CD1 3.26Å
73I67.9Low70.9Confident134 Ų13480.6 Ų80.669%0.68748%0.482SS*.Hα-helixtrans-64.9-28.4178.7-70.1162.4000111.8M69 D70 M75M69-I73 WeakPolarHBondContact O-CD1 3.21Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.46Å; M69-I73 PolarHBondContact O-N 3.06Å; D70-I73 PolarHBondContact O-N 2.96Å; I73-M75 VanDerWaalsContact C-N 3.29Å; I73-M75 PolarHBondContact O-N 2.98Å
74G72.6Confident71.6Confident67 Ų6783.7 Ų83.769%0.69149%0.488SS*.THydrogen-bonded Turntrans-74.1-6.1179.200000116.3D70 T71 V72D70-G74 PolarHBondContact O-N 3.15Å; D70-G74 VanDerWaalsContact O-N 3.11Å; T71-G74 PolarHBondContact O-N 2.9Å; V72-G74 PolarHBondContact O-N 2.93Å
75M71.4Confident72Confident89 Ų8987 Ų8744%0.43850%0.496SS..  trans-93.4126.2-175.9-57.7-168.68000112.2T71 V72 I73 M82 L83T71-M75 WeakPolarHBondContact O-CG 3.26Å; V72-M75 PolarHBondContact O-N 3.34Å; I73-M75 VanDerWaalsContact C-N 3.29Å; I73-M75 PolarHBondContact O-N 2.98Å; M75-M82 HydrophobicContact CE-CE 3.61Å; M75-L83 HydrophobicContact CB-CD1 4.38Å; M75-L83 HydrophobicContact SD-CD1 4.33Å
76S66.8Low72.9Confident97 Ų9786.3 Ų86.368%0.67850%0.499SS*.  trans-68.3172.617763.20000112.6N78 G79S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.01Å; S76-G79 WeakPolarHBondContact O-CA 3.34Å; S76-G79 PolarHBondContact O-N 3.32Å
77A63.4Low73.5Confident72 Ų7287.5 Ų87.560%0.59550%0.496SS*.G310 helixtrans-49.2-35.9-166.100000116.5G79 I80A77-G79 PolarHBondContact O-N 2.88Å; A77-G79 VanDerWaalsContact O-N 3.16Å; A77-I80 HydrophobicContact CB-CD1 4.4Å; A77-I80 WeakPolarHBondContact O-CB 3.38Å; A77-I80 WeakPolarHBondContact O-CD1 3.38Å; A77-I80 VanDerWaalsContact O-CG1 3.24Å; A77-I80 WeakPolarHBondContact O-CG1 3.39Å; A77-I80 PolarHBondContact O-N 3.12Å; A77-I80 VanDerWaalsContact O-N 3.08Å
78N69Low74.1Confident155 Ų15586.9 Ų86.983%0.82949%0.492SS*.G310 helixtrans-63.8-20.2175.9-66.74.3000112.9S76 I80S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.01Å; N78-I80 VanDerWaalsContact C-N 3.33Å
79G71.7Confident75Confident5 Ų586.7 Ų86.75%0.05250%0.497CS..G310 helixtrans-72.6-15.9173.900000114.6S76 A77 G81 M82 L83S76-G79 WeakPolarHBondContact O-CA 3.34Å; S76-G79 PolarHBondContact O-N 3.32Å; A77-G79 PolarHBondContact O-N 2.88Å; A77-G79 VanDerWaalsContact O-N 3.16Å; G79-G81 VanDerWaalsContact C-N 3.25Å; G79-G81 PolarHBondContact O-N 3.48Å; G79-M82 CarbonylContact O-C 3.54Å; G79-M82 WeakPolarHBondContact O-CA 3.45Å; G79-M82 WeakPolarHBondContact O-CB 3.46Å; G79-M82 PolarHBondContact O-N 3.43Å; G79-L83 WeakPolarHBondContact O-CB 3.35Å; G79-L83 PolarHBondContact O-N 3.3Å
80I76.7Confident75.9Confident113 Ų11385.4 Ų85.458%0.57949%0.494SS*.Hα-helixtrans-56.3-38.2-175.9-66.9167.6000112.1A77 N78 L83 R84A77-I80 HydrophobicContact CB-CD1 4.4Å; A77-I80 WeakPolarHBondContact O-CB 3.38Å; A77-I80 WeakPolarHBondContact O-CD1 3.38Å; A77-I80 VanDerWaalsContact O-CG1 3.24Å; A77-I80 WeakPolarHBondContact O-CG1 3.39Å; A77-I80 PolarHBondContact O-N 3.12Å; A77-I80 VanDerWaalsContact O-N 3.08Å; N78-I80 VanDerWaalsContact C-N 3.33Å; I80-L83 VanDerWaalsContact O-CB 3.25Å; I80-L83 WeakPolarHBondContact O-CB 3.26Å; I80-L83 PolarHBondContact O-N 3.21Å; I80-R84 PolarHBondContact O-N 3.31Å
81G80.3Confident76.7Confident45 Ų4583.5 Ų83.546%0.46448%0.483SS..Hα-helixtrans-66.4-40.8174.900000113.4G79 L83 R84 N85G79-G81 VanDerWaalsContact C-N 3.25Å; G79-G81 PolarHBondContact O-N 3.48Å; G81-L83 VanDerWaalsContact C-N 3.35Å; G81-R84 PolarHBondContact O-N 3.16Å; G81-N85 PolarHBondContact O-N 3.23Å
82M78.6Confident77.7Confident113 Ų11382.4 Ų82.456%0.55748%0.478SS*.Hα-helixtrans-68.3-35.8173.3-67.7-171.8-73.500111.5M75 G79 N85 A86M75-M82 HydrophobicContact CE-CE 3.61Å; G79-M82 CarbonylContact O-C 3.54Å; G79-M82 WeakPolarHBondContact O-CA 3.45Å; G79-M82 WeakPolarHBondContact O-CB 3.46Å; G79-M82 PolarHBondContact O-N 3.43Å; M82-N85 PolarHBondContact O-N 3.41Å; M82-A86 VanDerWaalsContact O-CB 3.24Å; M82-A86 WeakPolarHBondContact O-CB 3.05Å; M82-A86 PolarHBondContact O-N 2.87Å
83L80.2Confident78.8Confident52 Ų5284.4 Ų84.427%0.27249%0.491SS..Hα-helixtrans-57.8-50.5173.4-126.872.2000111.4V72 M75 G79 I80 G81 N85 A86 Y87V72-L83 HydrophobicContact CB-CD1 4.05Å; V72-L83 HydrophobicContact CB-CG 4.49Å; V72-L83 HydrophobicContact CG1-CD1 3.87Å; V72-L83 HydrophobicContact CG1-CD2 3.97Å; V72-L83 HydrophobicContact CG1-CG 3.86Å; V72-L83 HydrophobicContact CG2-CD1 3.95Å; V72-L83 HydrophobicContact CG2-CG 4.32Å; V72-L83 WeakPolarHBondContact O-CD1 3.26Å; M75-L83 HydrophobicContact CB-CD1 4.38Å; M75-L83 HydrophobicContact SD-CD1 4.33Å; G79-L83 WeakPolarHBondContact O-CB 3.35Å; G79-L83 PolarHBondContact O-N 3.3Å; I80-L83 VanDerWaalsContact O-CB 3.25Å; I80-L83 WeakPolarHBondContact O-CB 3.26Å; I80-L83 PolarHBondContact O-N 3.21Å; G81-L83 VanDerWaalsContact C-N 3.35Å; L83-N85 VanDerWaalsContact C-N 3.33Å; L83-N85 PolarHBondContact O-N 3.31Å; L83-A86 PolarHBondContact O-N 3.34Å; L83-Y87 WeakPolarHBondContact O-CB 3.47Å; L83-Y87 PolarHBondContact O-N 3.22Å
84R81.9Confident79.8Confident172 Ų17280.5 Ų80.565%0.64947%0.473SS*.Hα-helixtrans-60-44.6178.8-173.9176.9-178.2173.33.2111I80 G81 Y87 I88I80-R84 PolarHBondContact O-N 3.31Å; G81-R84 PolarHBondContact O-N 3.16Å; R84-Y87 PolarHBondContact O-N 2.94Å; R84-I88 HydrophobicContact CG-CD1 3.89Å; R84-I88 WeakPolarHBondContact O-CB 3.47Å; R84-I88 WeakPolarHBondContact O-CD1 3.4Å; R84-I88 VanDerWaalsContact O-CG1 3.23Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-I88 PolarHBondContact O-N 2.93Å
85N81.8Confident80.6Confident111 Ų11182.4 Ų82.459%0.59447%0.467SS*.Hα-helixtrans-69.7-39.5179.6-68.3-2.1000112.3G81 M82 L83 S89G81-N85 PolarHBondContact O-N 3.23Å; M82-N85 PolarHBondContact O-N 3.41Å; L83-N85 VanDerWaalsContact C-N 3.33Å; L83-N85 PolarHBondContact O-N 3.31Å; N85-S89 VanDerWaalsContact O-CB 3.25Å; N85-S89 WeakPolarHBondContact O-CB 3.41Å; N85-S89 PolarHBondContact O-N 3.47Å
86A84.3Confident81.6Confident48 Ų4883.1 Ų83.140%0.39747%0.472SS..Hα-helixtrans-66.7-39.3174.900000112M82 L83 S89 C90M82-A86 VanDerWaalsContact O-CB 3.24Å; M82-A86 WeakPolarHBondContact O-CB 3.05Å; M82-A86 PolarHBondContact O-N 2.87Å; L83-A86 PolarHBondContact O-N 3.34Å; A86-S89 PolarHBondContact O-N 2.99Å; A86-C90 VanDerWaalsContact O-CB 3.25Å; A86-C90 WeakPolarHBondContact O-CB 3.48Å; A86-C90 PolarHBondContact O-N 3.28Å
87Y83.1Confident82.8Confident101 Ų10182.9 Ų82.940%0.39646%0.462SS..Hα-helixtrans-67.2-46.1176.3-179-108.4000112L83 R84 S89 C90 L91L83-Y87 WeakPolarHBondContact O-CB 3.47Å; L83-Y87 PolarHBondContact O-N 3.22Å; R84-Y87 PolarHBondContact O-N 2.94Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 2.61Å; Y87-C90 PolarHBondContact O-N 3Å; Y87-L91 HydrophobicContact CD1-CD1 4.05Å; Y87-L91 HydrophobicContact CE1-CD1 3.49Å; Y87-L91 VanDerWaalsContact CE1-CD1 3.49Å; Y87-L91 HydrophobicContact CE1-CG 4.2Å; Y87-L91 HydrophobicContact CE2-CD1 4.46Å; Y87-L91 HydrophobicContact CE2-CG 4.36Å; Y87-L91 WeakPolarHBondContact O-CG 3.33Å; Y87-L91 PolarHBondContact O-N 3.23Å
88I84.5Confident84.2Confident82 Ų8283.7 Ų83.742%0.42145%0.454SS..Hα-helixtrans-59.6-46.6173.6-69.6166.3000110.1R84 C90 L91 C92R84-I88 HydrophobicContact CG-CD1 3.89Å; R84-I88 WeakPolarHBondContact O-CB 3.47Å; R84-I88 WeakPolarHBondContact O-CD1 3.4Å; R84-I88 VanDerWaalsContact O-CG1 3.23Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-I88 PolarHBondContact O-N 2.93Å; I88-C90 PolarHBondContact O-N 2.93Å; I88-L91 PolarHBondContact O-N 2.89Å; I88-C92 WeakPolarHBondContact O-CB 3.31Å; I88-C92 PolarHBondContact O-N 3.1Å; I88-C92 PolarHBondContact O-SG 3.46Å
89S86.6Confident85.2Confident71 Ų7181.1 Ų81.150%0.49744%0.44SS..Hα-helixtrans-58.7-44.3175.9-174.70000112.3N85 A86 Y87 C92 V93N85-S89 VanDerWaalsContact O-CB 3.25Å; N85-S89 WeakPolarHBondContact O-CB 3.41Å; N85-S89 PolarHBondContact O-N 3.47Å; A86-S89 PolarHBondContact O-N 2.99Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 2.61Å; S89-C92 PolarHBondContact O-N 2.94Å; S89-V93 WeakPolarHBondContact O-CG2 3.36Å; S89-V93 PolarHBondContact O-N 3.46Å
90C89.6Confident86.2Confident35 Ų3585.9 Ų85.924%0.23646%0.463CS..Hα-helixtrans-62.9-42.5176.5-176.50000112.4A86 Y87 I88 V93 T94A86-C90 VanDerWaalsContact O-CB 3.25Å; A86-C90 WeakPolarHBondContact O-CB 3.48Å; A86-C90 PolarHBondContact O-N 3.28Å; Y87-C90 PolarHBondContact O-N 3Å; I88-C90 PolarHBondContact O-N 2.93Å; C90-V93 PolarHBondContact O-N 2.8Å; C90-T94 WeakPolarHBondContact O-CB 3.42Å; C90-T94 PolarHBondContact O-N 3.28Å; C90-T94 PolarHBondContact O-OG1 3.34Å
91L87.4Confident86.9Confident64 Ų6486 Ų8634%0.33546%0.464SS..Hα-helixtrans-63.7-45.1173.6-72-179.8000111.6Y87 I88 V93 T94 L95Y87-L91 HydrophobicContact CD1-CD1 4.05Å; Y87-L91 HydrophobicContact CE1-CD1 3.49Å; Y87-L91 VanDerWaalsContact CE1-CD1 3.49Å; Y87-L91 HydrophobicContact CE1-CG 4.2Å; Y87-L91 HydrophobicContact CE2-CD1 4.46Å; Y87-L91 HydrophobicContact CE2-CG 4.36Å; Y87-L91 WeakPolarHBondContact O-CG 3.33Å; Y87-L91 PolarHBondContact O-N 3.23Å; I88-L91 PolarHBondContact O-N 2.89Å; L91-V93 VanDerWaalsContact C-N 3.35Å; L91-V93 PolarHBondContact O-N 3.38Å; L91-T94 PolarHBondContact O-N 3.1Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 2.83Å
92C88.1Confident87.5Confident70 Ų7089.7 Ų89.747%0.47347%0.468SS..Hα-helixtrans-60.4-42.4176.8-700000112.1I88 S89 L96I88-C92 WeakPolarHBondContact O-CB 3.31Å; I88-C92 PolarHBondContact O-N 3.1Å; I88-C92 PolarHBondContact O-SG 3.46Å; S89-C92 PolarHBondContact O-N 2.94Å; C92-L96 WeakPolarHBondContact O-CB 3.38Å; C92-L96 PolarHBondContact O-N 3.22Å
93V89.5Confident88.1Confident77 Ų7786.7 Ų86.747%0.46746%0.458SS..Hα-helixtrans-66.6-40174.8170.80000111.6S89 C90 L91 L96 L97S89-V93 WeakPolarHBondContact O-CG2 3.36Å; S89-V93 PolarHBondContact O-N 3.46Å; C90-V93 PolarHBondContact O-N 2.8Å; L91-V93 VanDerWaalsContact C-N 3.35Å; L91-V93 PolarHBondContact O-N 3.38Å; V93-L96 PolarHBondContact O-N 3.37Å; V93-L97 HydrophobicContact CG1-CD1 4.09Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 3.17Å
94T88.4Confident88.7Confident51 Ų5188.6 Ų88.631%0.31347%0.472SS..Hα-helixtrans-63.8-47.8177.5-54.60000111C90 L91 L96 L97 E98C90-T94 WeakPolarHBondContact O-CB 3.42Å; C90-T94 PolarHBondContact O-N 3.28Å; C90-T94 PolarHBondContact O-OG1 3.34Å; L91-T94 PolarHBondContact O-N 3.1Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.43Å; T94-L97 PolarHBondContact O-N 3.35Å; T94-L97 VanDerWaalsContact O-N 3.13Å; T94-E98 WeakPolarHBondContact O-CG 3.5Å; T94-E98 PolarHBondContact O-N 3.34Å
95L90.2Very high89.3Confident108 Ų10885 Ų8557%0.56547%0.468SS*.Hα-helixtrans-63.8-35.5176.4-68.6168.6000112.2L91 E98 L99L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 2.83Å; L95-E98 PolarHBondContact O-N 3.4Å; L95-L99 VanDerWaalsContact O-CB 3.26Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 PolarHBondContact O-N 2.8Å
96L90.9Very high89.9Confident103 Ų10383.3 Ų83.354%0.53946%0.459SS..Hα-helixtrans-63.8-41.5171.8-100.5163.6000112.3C92 V93 T94 L100C92-L96 WeakPolarHBondContact O-CB 3.38Å; C92-L96 PolarHBondContact O-N 3.22Å; V93-L96 PolarHBondContact O-N 3.37Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.43Å; L96-L100 WeakPolarHBondContact O-CB 3.12Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.25Å
97L91.7Very high90.3Very high92 Ų9283.4 Ų83.448%0.48246%0.457SS..Hα-helixtrans-67.9-41.5176.4-72.2168.6000111.8V93 T94 L100 L101V93-L97 HydrophobicContact CG1-CD1 4.09Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 3.17Å; T94-L97 PolarHBondContact O-N 3.35Å; T94-L97 VanDerWaalsContact O-N 3.13Å; L97-L100 PolarHBondContact O-N 2.97Å; L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 3.09Å
98E92.9Very high90.8Very high90 Ų9084.3 Ų84.342%0.42146%0.46SS..Hα-helixtrans-63.1-42.5174.2-72.2179.4167.500111.7T94 L95 L101 F102T94-E98 WeakPolarHBondContact O-CG 3.5Å; T94-E98 PolarHBondContact O-N 3.34Å; L95-E98 PolarHBondContact O-N 3.4Å; E98-L101 PolarHBondContact O-N 2.9Å; E98-F102 WeakPolarHBondContact O-CB 3.33Å; E98-F102 PolarHBondContact O-N 3.13Å
99L90.8Very high91.2Very high101 Ų10188.3 Ų88.353%0.52947%0.47SS..Hα-helixtrans-64.1-43.4174.9-176.463.7000112L95 F102 C103L95-L99 VanDerWaalsContact O-CB 3.26Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 PolarHBondContact O-N 2.8Å; L99-F102 PolarHBondContact O-N 3.18Å; L99-C103 WeakPolarHBondContact O-CB 3.45Å; L99-C103 PolarHBondContact O-N 2.9Å; L99-C103 PolarHBondContact O-SG 3.39Å
100L92.2Very high91.6Very high104 Ų10491.3 Ų91.355%0.54548%0.477SS..Hα-helixtrans-64.3-39.7176.1-75.6167.9000112.1L96 L97 T104L96-L100 WeakPolarHBondContact O-CB 3.12Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.25Å; L97-L100 PolarHBondContact O-N 2.97Å; L100-T104 WeakPolarHBondContact O-CB 3.42Å; L100-T104 PolarHBondContact O-N 3.3Å; L100-T104 PolarHBondContact O-OG1 3.5Å
101L92.8Very high91.7Very high115 Ų11596.3 Ų96.360%0.60249%0.49SS*.Hα-helixtrans-64.1-44.7173-74.8168.6000111.2L97 E98 T104 V105L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 3.09Å; E98-L101 PolarHBondContact O-N 2.9Å; L101-T104 PolarHBondContact O-N 2.7Å; L101-V105 WeakPolarHBondContact O-CG2 3.34Å; L101-V105 PolarHBondContact O-N 2.89Å
102F91.2Very high92Very high123 Ų123101 Ų10154%0.53950%0.504SS..Hα-helixtrans-61.2-48.2177.2-175.9-105.7000112E98 L99 T104 V105 L106E98-F102 WeakPolarHBondContact O-CB 3.33Å; E98-F102 PolarHBondContact O-N 3.13Å; L99-F102 PolarHBondContact O-N 3.18Å; F102-T104 VanDerWaalsContact C-N 3.32Å; F102-T104 PolarHBondContact O-N 3.08Å; F102-V105 PolarHBondContact O-N 2.86Å; F102-L106 HydrophobicContact CD1-CD1 3.97Å; F102-L106 HydrophobicContact CD1-CG 4.48Å; F102-L106 HydrophobicContact CE1-CD1 3.5Å; F102-L106 VanDerWaalsContact CE1-CD1 3.5Å; F102-L106 HydrophobicContact CE1-CG 4.21Å; F102-L106 HydrophobicContact CZ-CD1 3.93Å; F102-L106 HydrophobicContact CZ-CD2 4.47Å; F102-L106 HydrophobicContact CZ-CG 4.31Å; F102-L106 WeakPolarHBondContact O-CG 3.17Å; F102-L106 PolarHBondContact O-N 3.39Å
103C93Very high92.2Very high51 Ų51102 Ų10235%0.34551%0.505SS..Hα-helixtrans-58-43173.1-70.80000111.9L99 V105 L106 S107L99-C103 WeakPolarHBondContact O-CB 3.45Å; L99-C103 PolarHBondContact O-N 2.9Å; L99-C103 PolarHBondContact O-SG 3.39Å; C103-V105 PolarHBondContact O-N 3.04Å; C103-L106 PolarHBondContact O-N 2.91Å; C103-S107 PolarHBondContact O-N 3.09Å; C103-S107 PolarHBondContact O-OG 3.04Å
104T92.8Very high92.4Very high92 Ų92100 Ų10056%0.56450%0.5SS*.Hα-helixtrans-62.8-41.6177.6-57.50000111.9L100 L101 F102 Y108L100-T104 WeakPolarHBondContact O-CB 3.42Å; L100-T104 PolarHBondContact O-N 3.3Å; L100-T104 PolarHBondContact O-OG1 3.5Å; L101-T104 PolarHBondContact O-N 2.7Å; F102-T104 VanDerWaalsContact C-N 3.32Å; F102-T104 PolarHBondContact O-N 3.08Å; T104-Y108 WeakPolarHBondContact O-CB 3.38Å; T104-Y108 PolarHBondContact O-N 2.83Å
105V93.9Very high92.4Very high95 Ų95102.4 Ų102.458%0.57651%0.507SS*.Hα-helixtrans-66.7-39.6176.6169.40000111.5L101 F102 C103 R109L101-V105 WeakPolarHBondContact O-CG2 3.34Å; L101-V105 PolarHBondContact O-N 2.89Å; F102-V105 PolarHBondContact O-N 2.86Å; C103-V105 PolarHBondContact O-N 3.04Å; V105-R109 WeakPolarHBondContact O-CB 3.41Å; V105-R109 PolarHBondContact O-N 2.88Å
106L93.6Very high92.3Very high76 Ų7699 Ų9940%0.39849%0.494SS..Hα-helixtrans-64.1-50.3173.8-70.9-177.6000111.8F102 C103 Y108 R109 E110F102-L106 HydrophobicContact CD1-CD1 3.97Å; F102-L106 HydrophobicContact CD1-CG 4.48Å; F102-L106 HydrophobicContact CE1-CD1 3.5Å; F102-L106 VanDerWaalsContact CE1-CD1 3.5Å; F102-L106 HydrophobicContact CE1-CG 4.21Å; F102-L106 HydrophobicContact CZ-CD1 3.93Å; F102-L106 HydrophobicContact CZ-CD2 4.47Å; F102-L106 HydrophobicContact CZ-CG 4.31Å; F102-L106 WeakPolarHBondContact O-CG 3.17Å; F102-L106 PolarHBondContact O-N 3.39Å; C103-L106 PolarHBondContact O-N 2.91Å; L106-Y108 VanDerWaalsContact C-N 3.29Å; L106-Y108 PolarHBondContact O-N 2.89Å; L106-R109 WeakPolarHBondContact O-CB 3.49Å; L106-R109 PolarHBondContact O-N 3.1Å; L106-E110 PolarHBondContact O-N 3.03Å
107S94Very high92.2Very high51 Ų5196.4 Ų96.436%0.35749%0.488SS..Hα-helixtrans-60.9-37.1177.4-60.30000112.6C103 W111C103-S107 PolarHBondContact O-N 3.09Å; C103-S107 PolarHBondContact O-OG 3.04Å; S107-W111 WeakPolarHBondContact O-CB 3.47Å; S107-W111 PolarHBondContact O-N 3.41Å
108Y92.9Very high91.9Very high119 Ų11997.4 Ų97.447%0.46749%0.494SS..Hα-helixtrans-65.7-38.8173.6-179-97.6000112.2T104 L106 W111 R112T104-Y108 WeakPolarHBondContact O-CB 3.38Å; T104-Y108 PolarHBondContact O-N 2.83Å; L106-Y108 VanDerWaalsContact C-N 3.29Å; L106-Y108 PolarHBondContact O-N 2.89Å; Y108-W111 HydrophobicContact CD2-CE3 4.37Å; Y108-W111 HydrophobicContact CE2-CE3 4.19Å; Y108-W111 HydrophobicContact CE2-CZ3 4.14Å; Y108-R112 WeakPolarHBondContact O-CB 3.46Å; Y108-R112 PolarHBondContact O-N 2.95Å
109R93.6Very high91.4Very high167 Ų16796.5 Ų96.563%0.6350%0.497SS*.Hα-helixtrans-64.7-48.9175.8-177.3177.3179.8164.51.3111.7V105 L106 W111 R112 D113V105-R109 WeakPolarHBondContact O-CB 3.41Å; V105-R109 PolarHBondContact O-N 2.88Å; L106-R109 WeakPolarHBondContact O-CB 3.49Å; L106-R109 PolarHBondContact O-N 3.1Å; R109-W111 VanDerWaalsContact C-N 3.33Å; R109-W111 PolarHBondContact O-N 3.07Å; R109-R112 WeakPolarHBondContact O-CB 3.49Å; R109-R112 PolarHBondContact O-N 2.87Å; R109-R112 VanDerWaalsContact O-N 3.15Å; R109-D113 IonicContact NE-OD2 3.97Å; R109-D113 PolarHBondContact O-N 3.1Å
110E93.6Very high91Very high134 Ų13498.3 Ų98.363%0.62650%0.501SS*.Hα-helixtrans-59.4-43.4177-69.3-175.2156.400111.8L106 R112 D113 G114L106-E110 PolarHBondContact O-N 3.03Å; E110-R112 PolarHBondContact O-N 3.27Å; E110-D113 PolarHBondContact O-N 3.05Å; E110-G114 PolarHBondContact O-N 3.18Å
111W93.1Very high90.1Very high139 Ų13997.5 Ų97.553%0.52750%0.503SS..Hα-helixtrans-60.5-42.4174.517884.1000112.6S107 Y108 R109 G114 Q115S107-W111 WeakPolarHBondContact O-CB 3.47Å; S107-W111 PolarHBondContact O-N 3.41Å; Y108-W111 HydrophobicContact CD2-CE3 4.37Å; Y108-W111 HydrophobicContact CE2-CE3 4.19Å; Y108-W111 HydrophobicContact CE2-CZ3 4.14Å; R109-W111 VanDerWaalsContact C-N 3.33Å; R109-W111 PolarHBondContact O-N 3.07Å; W111-G114 PolarHBondContact O-N 2.91Å; W111-Q115 HydrophobicContact CD2-CG 4.36Å; W111-Q115 HydrophobicContact CH2-CG 4.38Å; W111-Q115 HydrophobicContact CZ2-CG 4.19Å; W111-Q115 WeakPolarHBondContact O-CG 3.47Å; W111-Q115 PolarHBondContact O-N 3.29Å; W111-Q115 VanDerWaalsContact O-N 3.08Å
112R93.5Very high89.2Confident162 Ų16295.8 Ų95.861%0.61150%0.501SS*.Hα-helixtrans-66.3-40.9177.6-169.6-177-169.9-169.25.8112.1Y108 R109 E110 G114 Q115 A116Y108-R112 WeakPolarHBondContact O-CB 3.46Å; Y108-R112 PolarHBondContact O-N 2.95Å; R109-R112 WeakPolarHBondContact O-CB 3.49Å; R109-R112 PolarHBondContact O-N 2.87Å; R109-R112 VanDerWaalsContact O-N 3.15Å; E110-R112 PolarHBondContact O-N 3.27Å; R112-G114 VanDerWaalsContact C-N 3.33Å; R112-Q115 PolarHBondContact O-N 2.93Å; R112-A116 PolarHBondContact O-N 3.11Å
113D92.4Very high88.2Confident93 Ų9393.7 Ų93.750%0.49750%0.501SS..Hα-helixtrans-69.5-32.4177.9-72.9-26.9000111.4R109 E110 A116 A117R109-D113 IonicContact NE-OD2 3.97Å; R109-D113 PolarHBondContact O-N 3.1Å; E110-D113 PolarHBondContact O-N 3.05Å; D113-A116 PolarHBondContact O-N 3.48Å; D113-A117 PolarHBondContact O-N 3.02Å
114G92.1Very high86.9Confident35 Ų3599.1 Ų99.136%0.36152%0.519SS..Hα-helixtrans-61.3-50.2168.400000113.3E110 W111 R112 A116 A117 D118E110-G114 PolarHBondContact O-N 3.18Å; W111-G114 PolarHBondContact O-N 2.91Å; R112-G114 VanDerWaalsContact C-N 3.33Å; G114-A116 PolarHBondContact O-N 3.33Å; G114-A117 WeakPolarHBondContact O-CA 3.46Å; G114-A117 WeakPolarHBondContact O-CB 3.29Å; G114-A117 PolarHBondContact O-N 3.02Å; G114-D118 PolarHBondContact O-N 3.28Å; G114-D118 VanDerWaalsContact O-N 3.16Å
115Q89.5Confident85.5Confident100 Ų100101.7 Ų101.747%0.46753%0.529SS..Hα-helixtrans-57.2-35.2174-68-85.624.800112.2W111 R112 A117 S119W111-Q115 HydrophobicContact CD2-CG 4.36Å; W111-Q115 HydrophobicContact CH2-CG 4.38Å; W111-Q115 HydrophobicContact CZ2-CG 4.19Å; W111-Q115 WeakPolarHBondContact O-CG 3.47Å; W111-Q115 PolarHBondContact O-N 3.29Å; W111-Q115 VanDerWaalsContact O-N 3.08Å; R112-Q115 PolarHBondContact O-N 2.93Å; Q115-A117 VanDerWaalsContact C-N 3.26Å; Q115-A117 PolarHBondContact O-N 3.33Å; Q115-S119 WeakPolarHBondContact O-CB 3.39Å; Q115-S119 PolarHBondContact O-N 3.46Å; Q115-S119 PolarHBondContact O-OG 3.27Å
116A87.9Confident84Confident36 Ų36104.9 Ų104.930%0.29854%0.539SS..Hα-helixtrans-73.7-10.2175.800000114.3R112 D113 G114 K120R112-A116 PolarHBondContact O-N 3.11Å; D113-A116 PolarHBondContact O-N 3.48Å; G114-A116 PolarHBondContact O-N 3.33Å; A116-K120 WeakPolarHBondContact O-CD 3.43Å; A116-K120 WeakPolarHBondContact O-CE 3.11Å; A116-K120 WeakPolarHBondContact O-CG 3.33Å; A116-K120 PolarHBondContact O-NZ 3.4Å
117A88.1Confident82.5Confident49 Ų49105.5 Ų105.541%0.40555%0.55SS..Hα-helixtrans-90.4-49.2169.900000111.5D113 G114 Q115 S119 K120 C121D113-A117 PolarHBondContact O-N 3.02Å; G114-A117 WeakPolarHBondContact O-CA 3.46Å; G114-A117 WeakPolarHBondContact O-CB 3.29Å; G114-A117 PolarHBondContact O-N 3.02Å; Q115-A117 VanDerWaalsContact C-N 3.26Å; Q115-A117 PolarHBondContact O-N 3.33Å; A117-S119 PolarHBondContact O-N 2.93Å; A117-K120 WeakPolarHBondContact O-CB 3.46Å; A117-K120 PolarHBondContact O-N 3.47Å; A117-K120 VanDerWaalsContact O-N 3.12Å; A117-C121 PolarHBondContact O-N 3.38Å
118D85.4Confident81Confident113 Ų113108.9 Ų108.960%0.60456%0.564SS**Hα-helixtrans-64.4-39.1-176.5-78.1-22000113.2G114 K120 C121 S122G114-D118 PolarHBondContact O-N 3.28Å; G114-D118 VanDerWaalsContact O-N 3.16Å; D118-K120 VanDerWaalsContact C-N 3.26Å; D118-K120 PolarHBondContact O-N 2.92Å; D118-C121 WeakPolarHBondContact O-CB 3.48Å; D118-C121 PolarHBondContact O-N 3.12Å; D118-C121 VanDerWaalsContact O-N 3.1Å; D118-S122 PolarHBondContact O-N 3.5Å
119S83.3Confident79.6Confident71 Ų71110.5 Ų110.550%0.49758%0.58SS.*Hα-helixtrans-56.9-37.8173.449.10000112.9Q115 A117 S123Q115-S119 WeakPolarHBondContact O-CB 3.39Å; Q115-S119 PolarHBondContact O-N 3.46Å; Q115-S119 PolarHBondContact O-OG 3.27Å; A117-S119 PolarHBondContact O-N 2.93Å; S119-S123 PolarHBondContact O-N 3Å
120K81.1Confident78.1Confident140 Ų140106.9 Ų106.961%0.60959%0.586SS**Hα-helixtrans-68.9-39175.4-65.7174-177125.20111.7A116 A117 D118 S123A116-K120 WeakPolarHBondContact O-CD 3.43Å; A116-K120 WeakPolarHBondContact O-CE 3.11Å; A116-K120 WeakPolarHBondContact O-CG 3.33Å; A116-K120 PolarHBondContact O-NZ 3.4Å; A117-K120 WeakPolarHBondContact O-CB 3.46Å; A117-K120 PolarHBondContact O-N 3.47Å; A117-K120 VanDerWaalsContact O-N 3.12Å; D118-K120 VanDerWaalsContact C-N 3.26Å; D118-K120 PolarHBondContact O-N 2.92Å; K120-S123 PolarHBondContact O-OG 2.96Å
121C73.4Confident76.6Confident86 Ų86106.6 Ų106.658%0.58159%0.594SS**Hα-helixtrans-63.2-45.7175.3-73.30000112.3A117 D118 S123 K124A117-C121 PolarHBondContact O-N 3.38Å; D118-C121 WeakPolarHBondContact O-CB 3.48Å; D118-C121 PolarHBondContact O-N 3.12Å; D118-C121 VanDerWaalsContact O-N 3.1Å; C121-S123 PolarHBondContact O-N 3.34Å; C121-K124 PolarHBondContact O-N 2.97Å
122S73.8Confident74.9Confident79 Ų79103.7 Ų103.755%0.55261%0.607SS**Hα-helixtrans-59.2-45.9179.8-172.40000112.4D118 K124 L125D118-S122 PolarHBondContact O-N 3.5Å; S122-K124 PolarHBondContact O-N 2.94Å; S122-K124 VanDerWaalsContact O-N 3.1Å; S122-L125 PolarHBondContact O-N 3.45Å; S122-L125 VanDerWaalsContact O-N 3.07Å
123S70.9Confident73Confident79 Ų79102.1 Ų102.155%0.55262%0.621SS**Hα-helixtrans-54.5-33.6-178.273.20000114.7S119 K120 C121S119-S123 PolarHBondContact O-N 3Å; K120-S123 PolarHBondContact O-OG 2.96Å; C121-S123 PolarHBondContact O-N 3.34Å
124K67Low71.2Confident166 Ų166106.4 Ų106.472%0.72264%0.635SS**Hα-helixtrans-76-22-178.4-91.8179.4174.8172.90114.2C121 S122C121-K124 PolarHBondContact O-N 2.97Å; S122-K124 PolarHBondContact O-N 2.94Å; S122-K124 VanDerWaalsContact O-N 3.1Å
125L62.8Low69.3Low146 Ų146112.4 Ų112.476%0.76466%0.658SS**Hα-helixtrans-79.4-25.9-177.3-92.5161000113.4S122S122-L125 PolarHBondContact O-N 3.45Å; S122-L125 VanDerWaalsContact O-N 3.07Å
126M61.2Low67.6Low162 Ų162111.8 Ų111.880%0.79867%0.67SS**Hα-helixtrans-88.2-17.3179.2-70-165.6161.100114.5N128M126-N128 VanDerWaalsContact C-N 3.26Å; M126-N128 PolarHBondContact O-N 3.43Å; M126-N128 VanDerWaalsContact O-N 3.16Å
127S62.3Low65.8Low88 Ų88115.9 Ų115.962%0.61569%0.694SS**THydrogen-bonded Turntrans-66.6-17.2-173.2-171.40000115.6
128N63.7Low64.2Low123 Ų123120 Ų12066%0.65871%0.714SS**THydrogen-bonded Turntrans-99.4-3.8-163.5-70.3-11.7000115.5M126M126-N128 VanDerWaalsContact C-N 3.26Å; M126-N128 PolarHBondContact O-N 3.43Å; M126-N128 VanDerWaalsContact O-N 3.16Å
129N63.2Low62.4Low152 Ų152125.4 Ų125.481%0.81373%0.726SS**SBendtrans-107.66.4-175.2-70.8-8.1000114.3
130A61.8Low60.8Low91 Ų91130.3 Ų130.375%0.75274%0.739SS**  trans-93.7-11-172.900000115.2G132A130-G132 PolarHBondContact O-N 2.98Å
131T61.8Low59.4Low129 Ų129135.5 Ų135.579%0.79176%0.756SS**SBendtrans-79.4103.8176.2220000110.9S133T131-S133 PolarHBondContact O-N 3.12Å; T131-S133 VanDerWaalsContact O-N 3.13Å
132G58Low58.1Low78 Ų78139 Ų13980%0.80476%0.764SS**  trans-59.7110.8-175.600000114.1A130 K134A130-G132 PolarHBondContact O-N 2.98Å; G132-K134 PolarHBondContact O-N 3.17Å
133S53.3Low57.2Low129 Ų129141 Ų14190%0.90278%0.778SS**  trans-80.6102.2168-177.70000109.9T131T131-S133 PolarHBondContact O-N 3.12Å; T131-S133 VanDerWaalsContact O-N 3.13Å
134K54.8Low55.9Low182 Ų182146.2 Ų146.279%0.79179%0.787SS**  trans-138117172.3-142.3-172.6-179.4-171.80109.4G132G132-K134 PolarHBondContact O-N 3.17Å
135L52.1Low55.3Low162 Ų162144.1 Ų144.185%0.84879%0.793SS**  trans69.4146.3168.3-56167000115.9
136A54.2Low54.5Low87 Ų87144 Ų14472%0.71979%0.793SS**  cis-150160.7-11.400000110.4
137P48.6Very low54.4Low122 Ų122141.8 Ų141.879%0.79279%0.794SS**  trans-99.6156.4-16237.4-35.8000115.6
138T54.5Low53.9Low136 Ų136147 Ų14783%0.83481%0.806SS**  trans-150.7142.715612.60000114.5
139R49.4Very low53.3Low225 Ų225146.9 Ų146.985%0.84981%0.813SS**  trans6894160.2-66.7-175.3175.1-171.8-0.4120.3
140K49Very low52.6Low175 Ų175146.7 Ų146.776%0.76182%0.817SS**  58.198.6125.6-61-176179.1-169.90118.4
141Y51.2Low52.1Low248 Ų248145.5 Ų145.597%0.97381%0.813SS**  -125.3158.3114.2-108.2-87.4000109.3
142Q46Very low51.3Low159 Ų159146.8 Ų146.874%0.74382%0.816SS**  trans-134.1114.3-155-176.9173.2-7.300111.2
143S55Low50.9Low123 Ų123146.3 Ų146.386%0.8681%0.811SS**  trans-149.3146.1166.7-166.10000109.9
144Y44.2Very low50.8Low187 Ų187147.4 Ų147.473%0.73380%0.802SS**  trans-89.8145.4-169.8-99.9-108.7000113.3
145S53.8Low50.8Low123 Ų123144.6 Ų144.686%0.8680%0.795SS**  -173.5144.3127.1-77.50000110.5
146D46.8Very low51Low143 Ų143146.1 Ų146.177%0.76580%0.798SS**  trans-90.6154.8-166.9-61.1-91.5000115.6
147S59.3Low51.2Low116 Ų116150.7 Ų150.781%0.81180%0.804SS**  165.483.3124.5-177.50000116.3
148K51.6Low51.4Low198 Ų198152.1 Ų152.186%0.86180%0.8SS**  trans32.1147.2140.9-75.6-174.8174.3179.20125.6
149C50.5Low51.5Low119 Ų119149.1 Ų149.180%0.80479%0.789SS**  trans88.2143.1153.6-65.20000119.9
150V49.9Very low51.8Low148 Ų148144.7 Ų144.790%0.89778%0.783SS**  cis-171.3143.9-28.31270000109.1
151G50.2Low52.1Low66 Ų66142.9 Ų142.968%0.6878%0.781SS**  trans147.6141.9167.700000116.2
152N44.9Very low52Low157 Ų157136 Ų13684%0.8477%0.769SS**  trans-134.6161.1-166.8-67.49.2000115.7
153G50.1Low52.1Low68 Ų68132.1 Ų132.170%0.70176%0.764SS**  trans128.192.1165.200000113.9
154Q50.8Low51.9Low152 Ų152134.9 Ų134.971%0.7176%0.761SS**  cis89.4138.147.9-65.1-176.9-109.300113.9
155D55.6Low52Low123 Ų123131.8 Ų131.866%0.65876%0.757SS**  cis-163.2177.1-8.3-94.6-28.1000111.6
156E55.8Low51.4Low193 Ų193135.1 Ų135.190%0.90275%0.751SS**  trans65.1175.9166.9-69.2174.1125.900118.2
157E57.4Low51.1Low184 Ų184136.7 Ų136.786%0.8675%0.751SS**  cis-141.4-148.46.9-152.3-159.7114.800112.8
158E54.3Low50.2Low151 Ų151136 Ų13671%0.70674%0.742SS**  trans-120-145.1-173.5-140.4-164.8-116.600114.7N160E158-N160 PolarHBondContact OE2-ND2 3Å; E158-N160 PolarHBondContact OE2-OD1 3Å
159A55.2Low49.5Very low73 Ų73137.6 Ų137.660%0.60374%0.743SS**  cis-158.5140.48.200000115.6
160N56.4Low49Very low133 Ų133137.5 Ų137.571%0.71174%0.743SS**  trans49.3145.2138.4-58.9-36.9000124.8E158E158-N160 PolarHBondContact OE2-ND2 3Å; E158-N160 PolarHBondContact OE2-OD1 3Å
161D54.7Low48.4Very low137 Ų137136.1 Ų136.173%0.73374%0.74SS**  cis-161.2158.21.8-150.8-22.3000115.9
162S49.7Very low47.9Very low102 Ų102138.6 Ų138.671%0.71374%0.744SS**  trans53.2153.5145.5-78.60000126.2
163A48Very low47.6Very low78 Ų78139.5 Ų139.565%0.64575%0.748SS**  cis-175.8149-18.300000117.7
164K51.7Low46.6Very low182 Ų182148 Ų14879%0.79176%0.759SS**  trans79.9122.2140.4-76.7165.3-176.2162.10127.3
165N44.5Very low45.7Very low121 Ų121152.7 Ų152.765%0.64777%0.77SS**  73.5153.9129.4-67.5-21.1000122.6
166R42.8Very low44.8Very low194 Ų194152.1 Ų152.173%0.73278%0.776SS**  cis-171.9160.3-11.1-109.4175.5-172.2-170.8-0.2114.2
167F40.1Very low43.9Very low175 Ų175152.2 Ų152.277%0.76878%0.776SS**  trans74.4152.4148.7-88.7-136.6000120.5
168V40.7Very low43Very low103 Ų103151.7 Ų151.762%0.62478%0.778SS**  cis-166.3149.5-22.5104.40000114.7
169R37Very low42Very low231 Ų231156.6 Ų156.687%0.87279%0.79SS**  trans48.6129158.7-69.7177172.8168.3-3.1124
170S39.6Very low41.2Very low117 Ų117158.5 Ų158.582%0.81880%0.799SS**  -171173.6109.555.40000111.5
171S36.9Very low40.4Very low119 Ų119158 Ų15883%0.83280%0.8SS**  trans-160.7151.5-173.9-490000113.7
172P39.2Very low39.6Very low118 Ų118158.8 Ų158.877%0.76681%0.805SS**  trans-139.8140.6156.634.4-17.1000117.7
173L38.8Very low39.1Very low175 Ų175164.3 Ų164.392%0.91681%0.812SS**  trans60.7146.1145.2-84.170000124
174R28.8Very low38.5Very low247 Ų247165.5 Ų165.593%0.93281%0.813SS**  trans-106.7156.8167.3-79.1172.3157.3172.1-7.8110
175R33.6Very low37.9Very low250 Ų250163.9 Ų163.994%0.94381%0.813SS**  trans-126.7148.4151.5-142.6173.9-169.2176.22.9108.9
176S36Very low37.7Very low112 Ų112167.1 Ų167.178%0.78383%0.826SS**  trans-107.1132.2-168.550.80000112.8
177H36.1Very low37.5Very low195 Ų195164.2 Ų164.290%0.90383%0.831SS**PPolyproline II helixtrans-73.5145.5168.4-74.2-94.6000111.6
178L39.5Very low37.7Very low173 Ų173161.2 Ų161.291%0.90683%0.828SS**PPolyproline II helixtrans-73.7152.4172.7-74.4157.1000111
179R32.4Very low37.6Very low253 Ų253161.9 Ų161.996%0.95584%0.838SS**PPolyproline II helixtrans-75.5126.6171.2-79.7176.5163.5178.8-6.8110.2
180S39.6Very low37.7Very low113 Ų113158.5 Ų158.579%0.7984%0.836SS**PPolyproline II helixtrans-84.8169.4150.853.60000110.5
181V39.3Very low37.7Very low122 Ų122158.5 Ų158.574%0.73984%0.836SS**PPolyproline II helixtrans-90130.8-166.9178.60000111.9
182N36.9Very low37.9Very low155 Ų155161 Ų16183%0.82984%0.84SS**PPolyproline II helixtrans-82.5124.2166.4-79-5.8000110.2
183Y38.7Very low38Very low217 Ų217158.4 Ų158.485%0.85184%0.835SS**PPolyproline II helixtrans-86.3126.4157.4-78.1-89.2000109.5
184P35.9Very low38Very low103 Ų103160 Ų16067%0.66983%0.834SS**  trans-78.7178.5166.134.7-34.4000111.4
185D40.4Very low38.7Very low149 Ų149152.8 Ų152.880%0.79782%0.82SS**  trans69.152.3160.9-55-21.5000119.1
186M40Very low38.8Very low188 Ų188153 Ų15393%0.92682%0.821SS**  trans-133.4116.2138.7-72.6-159.6-177.600111.3
187T38.9Very low38.9Very low134 Ų134157.6 Ų157.682%0.82282%0.822SS**  trans-141.399.5174.9-58.70000110.6S189T187-S189 PolarHBondContact O-N 2.8Å
188P43.9Very low39Very low111 Ų111159.9 Ų159.972%0.72182%0.823SS**  trans-8111617330.8-31.2000110.6L190P188-L190 PolarHBondContact O-N 3.32Å
189S38.6Very low38.7Very low117 Ų117157.5 Ų157.582%0.81882%0.821SS**  trans-77.2110.2178.657.10000112T187T187-S189 PolarHBondContact O-N 2.8Å
190L38.7Very low38.9Very low160 Ų160152.4 Ų152.484%0.83881%0.811SS**  trans-93.7125.8168.1-81.689.4000111.5P188P188-L190 PolarHBondContact O-N 3.32Å
191S40.6Very low38.4Very low117 Ų117151.6 Ų151.682%0.81881%0.812SS**  trans-83.1149.2169.1540000111.3G193S191-G193 PolarHBondContact O-N 3.11Å
192N40.1Very low38.2Very low172 Ų172156.1 Ų156.192%0.9282%0.815SS**  trans-71.6115.5-171.7-78.6-57.9000113.4
193G41.9Very low38Very low64 Ų64156.9 Ų156.966%0.6682%0.82SS**  trans-144.195.5165.700000111.1S191 P195S191-G193 PolarHBondContact O-N 3.11Å; G193-P195 WeakPolarHBondContact O-CD 3.36Å
194K39.3Very low38Very low208 Ų208150.4 Ų150.490%0.90481%0.811SS**  trans-68.7116.3-173.7-72.7-177.6176.81790112.8
195P41.7Very low38.1Very low96 Ų96155 Ų15562%0.62382%0.823SS**  trans-89130.4164.64.317.4000109.6G193 Y197G193-P195 WeakPolarHBondContact O-CD 3.36Å; P195-Y197 HydrophobicContact CB-CD2 3.9Å; P195-Y197 HydrophobicContact CB-CE2 3.64Å; P195-Y197 HydrophobicContact CG-CE2 4.29Å; P195-Y197 PolarHBondContact O-N 3.45Å
196R35.6Very low38Very low255 Ų255153.8 Ų153.896%0.96283%0.825SS**  trans-79.299.2170-81.7178.6167.6165.8-5.1109.9
197Y38.5Very low37.5Very low208 Ų208153.5 Ų153.582%0.81682%0.821SS**  trans-97.9127.8164.1-76.2-78000110.8P195P195-Y197 HydrophobicContact CB-CD2 3.9Å; P195-Y197 HydrophobicContact CB-CE2 3.64Å; P195-Y197 HydrophobicContact CG-CE2 4.29Å; P195-Y197 PolarHBondContact O-N 3.45Å
198R37.8Very low37.4Very low243 Ų243152 Ų15292%0.91781%0.812SS**  trans-68.5132.6163.2-80.6176.9166164.1-6.2107.9L200R198-L200 PolarHBondContact O-N 3.48Å; R198-L200 VanDerWaalsContact O-N 3.07Å
199S34.2Very low37.1Very low123 Ų123153 Ų15386%0.8682%0.815SS**  trans-66.6104.3168.452.20000109.6
200L35.6Very low37.1Very low145 Ų145154.6 Ų154.676%0.75981%0.805SS**  trans-80.9113.4166.5-155.683000107.4R198 R202R198-L200 PolarHBondContact O-N 3.48Å; R198-L200 VanDerWaalsContact O-N 3.07Å; L200-R202 PolarHBondContact O-N 3.01Å
201A30.9Very low37.4Very low96 Ų96152.6 Ų152.679%0.79380%0.804SS**  trans-64.4119.7174.800000109.3
202R34.9Very low37.3Very low217 Ų217155.5 Ų155.582%0.81980%0.802SS**  trans-116.9107.6171.2-83.3-173.7168.9-177.6-3.8108.6L200 A204L200-R202 PolarHBondContact O-N 3.01Å; R202-A204 PolarHBondContact O-N 3.5Å
203N30.9Very low37.5Very low172 Ų172152.1 Ų152.192%0.9279%0.79SS**  trans-70.8113.9162-66.55.1000107.1
204A40.2Very low37.6Very low80 Ų80153.9 Ų153.966%0.66180%0.798SS**  trans-145.1121.3172.900000107.7R202 C206R202-A204 PolarHBondContact O-N 3.5Å; A204-C206 PolarHBondContact O-N 3.03Å
205H36.9Very low37.9Very low201 Ų201150.9 Ų150.993%0.93179%0.792SS**  trans-69.6127.3173.5-71.9-77.3000109.3Q207H205-Q207 PolarHBondContact O-N 3.28Å
206C38.1Very low37.9Very low123 Ų123153.7 Ų153.783%0.83180%0.795SS**  trans-77.1120.4171.8-62.50000109.1A204A204-C206 PolarHBondContact O-N 3.03Å
207Q31.2Very low38.3Very low182 Ų182147.3 Ų147.385%0.8578%0.78SS**  trans-87.5114.4174.6-175.8175.91.300109.2H205H205-Q207 PolarHBondContact O-N 3.28Å
208T36Very low38.8Very low103 Ų103142.3 Ų142.363%0.63277%0.766SS**PPolyproline II helixtrans-80.8131.4176.7-47.80000110.2Y210T208-Y210 HydrophobicContact CG2-CE2 4.36Å
209V38.2Very low39Very low130 Ų130131.9 Ų131.979%0.78874%0.735SS**PPolyproline II helixtrans-100.6131.7170.5-179.90000108.2
210Y37.2Very low39.7Very low152 Ų152132.9 Ų132.960%0.59673%0.73SS**PPolyproline II helixtrans-103.2146.7173.4-65.9-86.5000110.1T208T208-Y210 HydrophobicContact CG2-CE2 4.36Å
211S44.8Very low40.3Very low118 Ų118133.2 Ų133.283%0.82573%0.725SS**  trans-131.4137.7168.450.30000109.5
212F39Very low41.3Very low177 Ų177135.8 Ų135.878%0.77672%0.719SS**  trans-88.4152.9177.3-72.7-88.2000110.7
213P44.6Very low41.9Very low101 Ų101132.2 Ų132.266%0.65672%0.716SS**  trans-63.7144.6169.528.8-34.6000110.5D215P213-D215 PolarHBondContact O-N 2.98Å
214A44.9Very low42.4Very low101 Ų101126.8 Ų126.884%0.83569%0.691SS**SBendtrans-73.7-7.8-172.700000114.5
215D43.8Very low42.8Very low145 Ų145127.2 Ų127.278%0.77569%0.688SS**  trans-101.624.6-162.4-43.8-54.5000113.7P213 D217P213-D215 PolarHBondContact O-N 2.98Å; D215-D217 PolarHBondContact O-N 3.41Å; D215-D217 VanDerWaalsContact O-N 3.1Å
216F42.7Very low43.1Very low156 Ų156124.8 Ų124.868%0.68468%0.68SS**  trans-81.687.3179.1-166.5-92.2000111.4L218F216-L218 HydrophobicContact CD1-CD2 4.14Å; F216-L218 HydrophobicContact CD1-CG 4.35Å; F216-L218 HydrophobicContact CE1-CD2 3.83Å; F216-L218 PolarHBondContact O-N 3.36Å
217D43.3Very low43.7Very low121 Ų121125.6 Ų125.665%0.64767%0.67SS**  trans-72.3114.4-178.9-167.7-8.3000112.5D215 G219D215-D217 PolarHBondContact O-N 3.41Å; D215-D217 VanDerWaalsContact O-N 3.1Å; D217-G219 VanDerWaalsContact C-N 3.33Å; D217-G219 PolarHBondContact OD1-N 2.86Å
218L49.4Very low44.2Very low102 Ų102121 Ų12153%0.53465%0.651SS.*  trans-79.2-11.3177-72.2167000113.5F216 L220 F221 F222F216-L218 HydrophobicContact CD1-CD2 4.14Å; F216-L218 HydrophobicContact CD1-CG 4.35Å; F216-L218 HydrophobicContact CE1-CD2 3.83Å; F216-L218 PolarHBondContact O-N 3.36Å; L218-L220 PolarHBondContact O-N 3.13Å; L218-F221 PolarHBondContact O-N 2.95Å; L218-F222 HydrophobicContact CB-CE2 4.37Å; L218-F222 WeakPolarHBondContact O-CD2 3.5Å
219G43.1Very low44.6Very low25 Ų25126 Ų12626%0.25866%0.66SS.*G310 helixtrans-55.1-35.5-178.900000113.4D217 F221 F222 D223D217-G219 VanDerWaalsContact C-N 3.33Å; D217-G219 PolarHBondContact OD1-N 2.86Å; G219-F221 PolarHBondContact O-N 2.99Å; G219-F222 PolarHBondContact O-N 3.21Å; G219-D223 PolarHBondContact O-N 2.89Å
220L49.1Very low45Very low144 Ų144123.1 Ų123.175%0.75464%0.637SS**G310 helixtrans-54.4-20.3175.3-96.6161.5000115.1L218L218-L220 PolarHBondContact O-N 3.13Å
221F47.2Very low45.9Very low151 Ų151121.8 Ų121.866%0.66265%0.645SS**G310 helixtrans-93.1-17.6174.7-72.5-84.4000114L218 G219L218-F221 PolarHBondContact O-N 2.95Å; G219-F221 PolarHBondContact O-N 2.99Å
222F53Low46.8Very low150 Ų150120.3 Ų120.366%0.65863%0.627SS**THydrogen-bonded Turntrans-96-23.3-177.1-67.6-73.5000113.7L218 G219 S224L218-F222 HydrophobicContact CB-CE2 4.37Å; L218-F222 WeakPolarHBondContact O-CD2 3.5Å; G219-F222 PolarHBondContact O-N 3.21Å; F222-S224 PolarHBondContact O-N 2.88Å
223D46.7Very low48.3Very low143 Ų143119.9 Ų119.977%0.76563%0.628SS**SBendtrans-73.3-3.1-179.6-74-23.2000114.8G219 P225G219-D223 PolarHBondContact O-N 2.89Å; D223-P225 VanDerWaalsContact O-CD 3.31Å; D223-P225 WeakPolarHBondContact O-CD 3.23Å
224S41.5Very low49.2Very low57 Ų57117.3 Ų117.340%0.39961%0.609SS.*  trans-10797.7177-173.40000111.5F222 L226 F227F222-S224 PolarHBondContact O-N 2.88Å; S224-L226 PolarHBondContact O-N 2.7Å; S224-F227 WeakPolarHBondContact O-CD1 3.43Å; S224-F227 WeakPolarHBondContact O-CE1 3.46Å
225P48.2Very low50.3Low90 Ų90114.5 Ų114.558%0.58458%0.579SS**G310 helixtrans-71.85.1-178.129.7-36.3000114.4D223 F227 L228D223-P225 VanDerWaalsContact O-CD 3.31Å; D223-P225 WeakPolarHBondContact O-CD 3.23Å; P225-F227 PolarHBondContact O-N 2.89Å; P225-F227 VanDerWaalsContact O-N 3.1Å; P225-L228 PolarHBondContact O-N 2.87Å; P225-L228 VanDerWaalsContact O-N 3.1Å
226L44.1Very low51.5Low149 Ų149110.7 Ų110.778%0.7856%0.562SS**G310 helixtrans-66.2-9.3-176.2-70.1171.1000114.6S224 L228S224-L226 PolarHBondContact O-N 2.7Å; L226-L228 VanDerWaalsContact C-N 3.33Å
227F48.9Very low52.9Low141 Ų141107.5 Ų107.562%0.61856%0.555SS**G310 helixtrans-80-10.6172.367.6-95.9000113.8S224 P225 Y229S224-F227 WeakPolarHBondContact O-CD1 3.43Å; S224-F227 WeakPolarHBondContact O-CE1 3.46Å; P225-F227 PolarHBondContact O-N 2.89Å; P225-F227 VanDerWaalsContact O-N 3.1Å; F227-Y229 PolarHBondContact O-N 3.42Å; F227-Y229 VanDerWaalsContact O-N 3.11Å
228L43.2Very low54.1Low85 Ų85102.6 Ų102.645%0.44553%0.528SS..  trans-8480.4174.9-65.4176.6000110.6P225 L226 F230P225-L228 PolarHBondContact O-N 2.87Å; P225-L228 VanDerWaalsContact O-N 3.1Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L228-F230 HydrophobicContact CB-CD2 4.44Å; L228-F230 HydrophobicContact CB-CE2 3.77Å; L228-F230 HydrophobicContact CB-CZ 3.91Å; L228-F230 HydrophobicContact CD1-CZ 4.29Å; L228-F230 WeakPolarHBondContact O-CD2 3.44Å; L228-F230 VanDerWaalsContact O-CE2 3.26Å; L228-F230 WeakPolarHBondContact O-CE2 3.37Å; L228-F230 PolarHBondContact O-N 3.29Å
229Y44.7Very low55.1Low208 Ų208100.5 Ų100.582%0.81652%0.517SS*.  trans-74.5104.3167.6-113.9-96.8000109.7F227 T231F227-Y229 PolarHBondContact O-N 3.42Å; F227-Y229 VanDerWaalsContact O-N 3.11Å; Y229-T231 HydrophobicContact CD1-CG2 4.49Å; Y229-T231 PolarHBondContact O-N 3.34Å
230F46.6Very low56.6Low69 Ų69103.7 Ų103.730%0.30353%0.529SS..  trans-81.5104.4177.4-60-88.9000109.9L228 D235 L239 L257L228-F230 HydrophobicContact CB-CD2 4.44Å; L228-F230 HydrophobicContact CB-CE2 3.77Å; L228-F230 HydrophobicContact CB-CZ 3.91Å; L228-F230 HydrophobicContact CD1-CZ 4.29Å; L228-F230 WeakPolarHBondContact O-CD2 3.44Å; L228-F230 VanDerWaalsContact O-CE2 3.26Å; L228-F230 WeakPolarHBondContact O-CE2 3.37Å; L228-F230 PolarHBondContact O-N 3.29Å; F230-D235 HydrophobicContact CB-CB 4.16Å; F230-D235 HydrophobicContact CD1-CB 4.02Å; F230-L239 HydrophobicContact CB-CD1 3.88Å; F230-L239 HydrophobicContact CD1-CD1 3.86Å; F230-L239 HydrophobicContact CD2-CD1 3.5Å; F230-L239 VanDerWaalsContact CD2-CD1 3.5Å; F230-L239 HydrophobicContact CE1-CD1 4.19Å; F230-L239 HydrophobicContact CE2-CD1 3.87Å; F230-L239 HydrophobicContact CE2-CD2 4.41Å; F230-L239 HydrophobicContact CG-CD1 3.47Å; F230-L239 VanDerWaalsContact CG-CD1 3.47Å; F230-L239 HydrophobicContact CZ-CD1 4.19Å; F230-L239 HydrophobicContact CZ-CD2 4.27Å; F230-L257 HydrophobicContact CE1-CD1 4.26Å; F230-L257 HydrophobicContact CE1-CD2 4.43Å
231T54.4Low57.5Low125 Ų12599.4 Ų99.477%0.76751%0.511SS*.  trans-107.2-4.4-172.557.40000114.7Y229Y229-T231 HydrophobicContact CD1-CG2 4.49Å; Y229-T231 PolarHBondContact O-N 3.34Å
232D65.1Low58.5Low86 Ų8693.7 Ų93.746%0.4649%0.488SS..SBendtrans-95.7140.4178.2-161.7-45.1000110.7N234 D235 V236D232-N234 PolarHBondContact O-N 2.74Å; D232-N234 WeakPolarHBondContact OD1-CB 3.34Å; D232-N234 PolarHBondContact OD1-N 3.21Å; D232-D235 HydrophobicContact CB-CB 4.1Å; D232-D235 PolarHBondContact O-N 3Å; D232-V236 WeakPolarHBondContact O-CG2 3.39Å; D232-V236 PolarHBondContact O-N 2.98Å
233E69.7Low59.3Low169 Ų16994.8 Ų94.879%0.7949%0.493SS*.Hα-helixtrans-59.7-33.1172.9-63.2-174.2156.900111.4T237E233-T237 WeakPolarHBondContact O-CB 3.33Å; E233-T237 PolarHBondContact O-N 3.05Å; E233-T237 PolarHBondContact O-OG1 3.36Å
234N63.5Low60.2Low46 Ų4692 Ų9225%0.24649%0.49CS..Hα-helixtrans-64-41.7172.4171.389.2000111.8D232 T237 I238 R260D232-N234 PolarHBondContact O-N 2.74Å; D232-N234 WeakPolarHBondContact OD1-CB 3.34Å; D232-N234 PolarHBondContact OD1-N 3.21Å; N234-T237 WeakPolarHBondContact O-CB 3.37Å; N234-T237 PolarHBondContact O-N 2.87Å; N234-I238 WeakPolarHBondContact ND2-CD1 3.41Å; N234-I238 WeakPolarHBondContact O-CG1 3.26Å; N234-I238 PolarHBondContact O-N 2.88Å; N234-R260 PolarHBondContact OD1-NH1 2.92Å
235D67.3Low61.4Low42 Ų4292.9 Ų92.923%0.22549%0.49CS..Hα-helixtrans-70.6-40.1-179.3-71.1-1.9000111.3F230 D232 T237 I238 L239F230-D235 HydrophobicContact CB-CB 4.16Å; F230-D235 HydrophobicContact CD1-CB 4.02Å; D232-D235 HydrophobicContact CB-CB 4.1Å; D232-D235 PolarHBondContact O-N 3Å; D235-T237 PolarHBondContact O-N 2.85Å; D235-I238 PolarHBondContact O-N 3.4Å; D235-L239 WeakPolarHBondContact O-CB 3.39Å; D235-L239 WeakPolarHBondContact O-CG 3.34Å; D235-L239 PolarHBondContact O-N 2.94Å
236V70.1Confident62.2Low66 Ų6695.8 Ų95.840%0.451%0.505SS..Hα-helixtrans-61.1-35.9170173.50000110.9D232 N240D232-V236 WeakPolarHBondContact O-CG2 3.39Å; D232-V236 PolarHBondContact O-N 2.98Å; V236-N240 WeakPolarHBondContact O-CB 3.5Å; V236-N240 VanDerWaalsContact O-CG 3.25Å; V236-N240 PolarHBondContact O-N 3.15Å; V236-N240 PolarHBondContact O-ND2 3.29Å
237T72.3Confident63.7Low89 Ų8993.4 Ų93.455%0.54650%0.502SS..Hα-helixtrans-68.1-44.4175-580000111.8E233 N234 D235 N240 S241E233-T237 WeakPolarHBondContact O-CB 3.33Å; E233-T237 PolarHBondContact O-N 3.05Å; E233-T237 PolarHBondContact O-OG1 3.36Å; N234-T237 WeakPolarHBondContact O-CB 3.37Å; N234-T237 PolarHBondContact O-N 2.87Å; D235-T237 PolarHBondContact O-N 2.85Å; T237-N240 PolarHBondContact O-N 2.88Å; T237-S241 PolarHBondContact O-N 3.29Å
238I68Low64.9Low17 Ų1788.4 Ų88.49%0.08748%0.481CS..Hα-helixtrans-59.1-51174.4-68.9167.7000109.7N234 D235 N240 S241 V242 Q256 L257N234-I238 WeakPolarHBondContact ND2-CD1 3.41Å; N234-I238 WeakPolarHBondContact O-CG1 3.26Å; N234-I238 PolarHBondContact O-N 2.88Å; D235-I238 PolarHBondContact O-N 3.4Å; I238-N240 VanDerWaalsContact C-N 3.32Å; I238-N240 PolarHBondContact O-N 2.91Å; I238-S241 PolarHBondContact O-N 3.11Å; I238-S241 VanDerWaalsContact O-N 3.07Å; I238-S241 PolarHBondContact O-OG 3.19Å; I238-V242 HydrophobicContact CG2-CG2 4.38Å; I238-V242 WeakPolarHBondContact O-CG2 3.21Å; I238-V242 PolarHBondContact O-N 3Å; I238-Q256 HydrophobicContact CG2-CB 4.41Å; I238-L257 HydrophobicContact CD1-CD2 4.12Å; I238-L257 HydrophobicContact CG2-CD2 4.07Å
239L71.3Confident66.5Low58 Ų5886.7 Ų86.730%0.30448%0.476SS..Hα-helixtrans-58.4-39.7176.8-77.8170.2000113.5F230 D235 S241 V242 K243F230-L239 HydrophobicContact CB-CD1 3.88Å; F230-L239 HydrophobicContact CD1-CD1 3.86Å; F230-L239 HydrophobicContact CD2-CD1 3.5Å; F230-L239 VanDerWaalsContact CD2-CD1 3.5Å; F230-L239 HydrophobicContact CE1-CD1 4.19Å; F230-L239 HydrophobicContact CE2-CD1 3.87Å; F230-L239 HydrophobicContact CE2-CD2 4.41Å; F230-L239 HydrophobicContact CG-CD1 3.47Å; F230-L239 VanDerWaalsContact CG-CD1 3.47Å; F230-L239 HydrophobicContact CZ-CD1 4.19Å; F230-L239 HydrophobicContact CZ-CD2 4.27Å; D235-L239 WeakPolarHBondContact O-CB 3.39Å; D235-L239 WeakPolarHBondContact O-CG 3.34Å; D235-L239 PolarHBondContact O-N 2.94Å; L239-S241 VanDerWaalsContact C-N 3.34Å; L239-V242 PolarHBondContact O-N 3.48Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 2.57Å
240N73.6Confident67.8Low93 Ų9380.4 Ų80.450%0.49746%0.462SS..Hα-helixtrans-68.7-32.9176.5-77.4-38.6000112.2V236 T237 I238 A244V236-N240 WeakPolarHBondContact O-CB 3.5Å; V236-N240 VanDerWaalsContact O-CG 3.25Å; V236-N240 PolarHBondContact O-N 3.15Å; V236-N240 PolarHBondContact O-ND2 3.29Å; T237-N240 PolarHBondContact O-N 2.88Å; I238-N240 VanDerWaalsContact C-N 3.32Å; I238-N240 PolarHBondContact O-N 2.91Å; N240-A244 PolarHBondContact O-N 3.47Å
241S67.7Low69Low53 Ų5380.5 Ų80.537%0.37147%0.472SS..Hα-helixtrans-69.7-44.2172.769.90000112.3T237 I238 L239 K243 A244 D245T237-S241 PolarHBondContact O-N 3.29Å; I238-S241 PolarHBondContact O-N 3.11Å; I238-S241 VanDerWaalsContact O-N 3.07Å; I238-S241 PolarHBondContact O-OG 3.19Å; L239-S241 VanDerWaalsContact C-N 3.34Å; S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 3.17Å; S241-A244 WeakPolarHBondContact O-CB 3.33Å; S241-A244 PolarHBondContact O-N 3.22Å; S241-D245 PolarHBondContact O-N 2.92Å
242V69.2Low69.9Low32 Ų3278.5 Ų78.519%0.19445%0.454CS..Hα-helixtrans-59.3-42.6172.7171.70000111.4I238 L239 A244 D245 I248 L253I238-V242 HydrophobicContact CG2-CG2 4.38Å; I238-V242 WeakPolarHBondContact O-CG2 3.21Å; I238-V242 PolarHBondContact O-N 3Å; L239-V242 PolarHBondContact O-N 3.48Å; V242-A244 PolarHBondContact O-N 3.44Å; V242-D245 CarbonylContact O-C 3.56Å; V242-D245 PolarHBondContact O-N 3.3Å; V242-D245 VanDerWaalsContact O-N 3.1Å; V242-I248 HydrophobicContact CG2-CD1 4.01Å; V242-I248 HydrophobicContact CG2-CG2 4.3Å; V242-L253 HydrophobicContact CB-CD1 4.31Å; V242-L253 HydrophobicContact CG1-CD1 3.67Å; V242-L253 HydrophobicContact CG2-CD1 3.81Å; V242-L253 HydrophobicContact CG2-CG 4.36Å
243K68.7Low70.3Confident173 Ų17376.5 Ų76.575%0.75244%0.442SS*.Hα-helixtrans-67.3-18.7177.2-174.2176.6176.9-175.60113.3L239 S241L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 2.57Å; S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 3.17Å
244A67Low70.4Confident85 Ų8576 Ų7670%0.70243%0.433SS*.Hα-helixtrans-90.3-21.617200000112.9N240 S241 V242N240-A244 PolarHBondContact O-N 3.47Å; S241-A244 WeakPolarHBondContact O-CB 3.33Å; S241-A244 PolarHBondContact O-N 3.22Å; V242-A244 PolarHBondContact O-N 3.44Å
245D65.7Low70.8Confident75 Ų7579.8 Ų79.840%0.40145%0.45SS..  trans-122.490-172.8-158.1-19.3000112.1S241 V242 S247 I248S241-D245 PolarHBondContact O-N 2.92Å; V242-D245 CarbonylContact O-C 3.56Å; V242-D245 PolarHBondContact O-N 3.3Å; V242-D245 VanDerWaalsContact O-N 3.1Å; D245-S247 PolarHBondContact O-N 3.05Å; D245-S247 WeakPolarHBondContact OD1-CB 3.36Å; D245-S247 PolarHBondContact OD1-N 2.99Å; D245-S247 PolarHBondContact OD1-OG 3.4Å; D245-I248 HydrophobicContact CB-CD1 4.3Å; D245-I248 HydrophobicContact CB-CG1 4.42Å; D245-I248 PolarHBondContact O-N 3.19Å
246V64.6Low70.9Confident150 Ų15080.8 Ų80.891%0.90945%0.453SS*.THydrogen-bonded Turntrans-60.3-8.4179.9-171.80000112.6
247S77.2Confident70.9Confident100 Ų10079.9 Ų79.970%0.69945%0.446SS*.THydrogen-bonded Turntrans-78.5-23.1179.6-34.80000114.4D245 S249D245-S247 PolarHBondContact O-N 3.05Å; D245-S247 WeakPolarHBondContact OD1-CB 3.36Å; D245-S247 PolarHBondContact OD1-N 2.99Å; D245-S247 PolarHBondContact OD1-OG 3.4Å; S247-S249 PolarHBondContact O-N 2.77Å
248I73Confident70.7Confident36 Ų3683.8 Ų83.819%0.18545%0.452CS..  trans-69.6124.5-165.8-74.7178.4000112V242 D245 E252 L253V242-I248 HydrophobicContact CG2-CD1 4.01Å; V242-I248 HydrophobicContact CG2-CG2 4.3Å; D245-I248 HydrophobicContact CB-CD1 4.3Å; D245-I248 HydrophobicContact CB-CG1 4.42Å; D245-I248 PolarHBondContact O-N 3.19Å; I248-E252 HydrophobicContact CG2-CB 4.3Å; I248-E252 HydrophobicContact CG2-CG 4.28Å; I248-L253 HydrophobicContact CG2-CB 3.98Å
249S76.6Confident70.5Confident49 Ų4986.6 Ų86.634%0.34347%0.473SS..  trans-73.8149.8176.569.50000112.1S247 S251 E252 L253S247-S249 PolarHBondContact O-N 2.77Å; S249-S251 WeakPolarHBondContact CB-OG 3.24Å; S249-S251 PolarHBondContact O-N 3.44Å; S249-S251 PolarHBondContact OG-OG 2.87Å; S249-E252 WeakPolarHBondContact O-CB 3.25Å; S249-E252 PolarHBondContact O-N 3.27Å; S249-E252 WeakPolarHBondContact OG-CB 3.2Å; S249-E252 PolarHBondContact OG-N 2.91Å; S249-E252 VanDerWaalsContact OG-N 3.13Å; S249-L253 PolarHBondContact O-N 3.32Å
250S72.1Confident69.6Low76 Ų7692 Ų9253%0.53149%0.489SS..Hα-helixtrans-57.9-32.6175.5-170.40000112.5R254S250-R254 WeakPolarHBondContact O-CB 3.25Å; S250-R254 WeakPolarHBondContact O-CD 3.32Å; S250-R254 WeakPolarHBondContact O-CG 3.19Å; S250-R254 PolarHBondContact O-N 3.45Å
251S72.7Confident68.4Low71 Ų7193.1 Ų93.150%0.49750%0.504SS..Hα-helixtrans-62.2-43.4171.630.50000113.2S249 Q255S249-S251 WeakPolarHBondContact CB-OG 3.24Å; S249-S251 PolarHBondContact O-N 3.44Å; S249-S251 PolarHBondContact OG-OG 2.87Å; S251-Q255 WeakPolarHBondContact O-CG 3.5Å; S251-Q255 PolarHBondContact O-N 3.31Å
252E72.5Confident67.3Low83 Ų8394.8 Ų94.839%0.38852%0.516SS..Hα-helixtrans-73-40179.6178174.2-160.200111.6I248 S249 R254 Q255 Q256I248-E252 HydrophobicContact CG2-CB 4.3Å; I248-E252 HydrophobicContact CG2-CG 4.28Å; S249-E252 WeakPolarHBondContact O-CB 3.25Å; S249-E252 PolarHBondContact O-N 3.27Å; S249-E252 WeakPolarHBondContact OG-CB 3.2Å; S249-E252 PolarHBondContact OG-N 2.91Å; S249-E252 VanDerWaalsContact OG-N 3.13Å; E252-R254 VanDerWaalsContact C-N 3.34Å; E252-R254 PolarHBondContact O-N 2.89Å; E252-Q255 CarbonylContact O-C 3.41Å; E252-Q255 WeakPolarHBondContact O-CA 3.26Å; E252-Q255 WeakPolarHBondContact O-CB 3.25Å; E252-Q255 PolarHBondContact O-N 3.43Å; E252-Q255 VanDerWaalsContact O-N 3.11Å; E252-Q256 WeakPolarHBondContact O-CG 3.13Å; E252-Q256 PolarHBondContact O-N 2.71Å
253L74Confident65.9Low43 Ų43100 Ų10023%0.22554%0.542CS..Hα-helixtrans-58-45.2171.3-176.9148.2000111.7V242 I248 S249 Q255 Q256 L257V242-L253 HydrophobicContact CB-CD1 4.31Å; V242-L253 HydrophobicContact CG1-CD1 3.67Å; V242-L253 HydrophobicContact CG2-CD1 3.81Å; V242-L253 HydrophobicContact CG2-CG 4.36Å; I248-L253 HydrophobicContact CG2-CB 3.98Å; S249-L253 PolarHBondContact O-N 3.32Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 3.48Å; L253-Q256 PolarHBondContact O-N 2.88Å; L253-L257 HydrophobicContact CD2-CD1 3.64Å; L253-L257 HydrophobicContact CD2-CG 4.47Å; L253-L257 HydrophobicContact CG-CD1 4.48Å; L253-L257 WeakPolarHBondContact O-CG 3.4Å; L253-L257 PolarHBondContact O-N 3.26Å
254R71.6Confident64.4Low158 Ų15896.7 Ų96.760%0.59654%0.541SS*.Hα-helixtrans-61.8-40.7173.7-71.8168.8-169.3-1312.2111.4S250 E252 L257 Y258S250-R254 WeakPolarHBondContact O-CB 3.25Å; S250-R254 WeakPolarHBondContact O-CD 3.32Å; S250-R254 WeakPolarHBondContact O-CG 3.19Å; S250-R254 PolarHBondContact O-N 3.45Å; E252-R254 VanDerWaalsContact C-N 3.34Å; E252-R254 PolarHBondContact O-N 2.89Å; R254-L257 PolarHBondContact O-N 2.85Å; R254-Y258 HydrophobicContact CB-CD2 4.36Å; R254-Y258 WeakPolarHBondContact O-CB 3.27Å; R254-Y258 WeakPolarHBondContact O-CD2 3.41Å; R254-Y258 PolarHBondContact O-N 3.48Å
255Q71.7Confident62.8Low126 Ų12698 Ų9859%0.58955%0.545SS*.Hα-helixtrans-63.1-47174.2-73.7176.41300111.5S251 E252 L253 L257 Y258 S259S251-Q255 WeakPolarHBondContact O-CG 3.5Å; S251-Q255 PolarHBondContact O-N 3.31Å; E252-Q255 CarbonylContact O-C 3.41Å; E252-Q255 WeakPolarHBondContact O-CA 3.26Å; E252-Q255 WeakPolarHBondContact O-CB 3.25Å; E252-Q255 PolarHBondContact O-N 3.43Å; E252-Q255 VanDerWaalsContact O-N 3.11Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 3.48Å; Q255-L257 VanDerWaalsContact C-N 3.31Å; Q255-L257 PolarHBondContact O-N 2.92Å; Q255-Y258 PolarHBondContact O-N 2.74Å; Q255-S259 WeakPolarHBondContact O-CB 3.46Å; Q255-S259 PolarHBondContact O-N 3.07Å; Q255-S259 PolarHBondContact O-OG 2.83Å
256Q70.1Confident61.6Low63 Ų6399.8 Ų99.829%0.29456%0.558SS.*Hα-helixtrans-59.6-39.7178.6-69-178.920.600112.6I238 E252 L253I238-Q256 HydrophobicContact CG2-CB 4.41Å; E252-Q256 WeakPolarHBondContact O-CG 3.13Å; E252-Q256 PolarHBondContact O-N 2.71Å; L253-Q256 PolarHBondContact O-N 2.88Å
257L69.8Low60Low47 Ų4796.6 Ų96.625%0.24656%0.556CS.*Hα-helixtrans-71.2-33.9176-69174000113.9F230 I238 L253 R254 Q255F230-L257 HydrophobicContact CE1-CD1 4.26Å; F230-L257 HydrophobicContact CE1-CD2 4.43Å; I238-L257 HydrophobicContact CD1-CD2 4.12Å; I238-L257 HydrophobicContact CG2-CD2 4.07Å; L253-L257 HydrophobicContact CD2-CD1 3.64Å; L253-L257 HydrophobicContact CD2-CG 4.47Å; L253-L257 HydrophobicContact CG-CD1 4.48Å; L253-L257 WeakPolarHBondContact O-CG 3.4Å; L253-L257 PolarHBondContact O-N 3.26Å; R254-L257 PolarHBondContact O-N 2.85Å; Q255-L257 VanDerWaalsContact C-N 3.31Å; Q255-L257 PolarHBondContact O-N 2.92Å
258Y67.4Low58.1Low172 Ų17296 Ų9668%0.67556%0.557SS**Hα-helixtrans-103.9-19.3-173.8-65.6-56.7000115.6R254 Q255 R260R254-Y258 HydrophobicContact CB-CD2 4.36Å; R254-Y258 WeakPolarHBondContact O-CB 3.27Å; R254-Y258 WeakPolarHBondContact O-CD2 3.41Å; R254-Y258 PolarHBondContact O-N 3.48Å; Q255-Y258 PolarHBondContact O-N 2.74Å; Y258-R260 VanDerWaalsContact C-N 3.3Å; Y258-R260 PolarHBondContact O-N 3.18Å
259S64.7Low56.2Low76 Ų7697.7 Ų97.753%0.53158%0.584SS.*SBendtrans-77.9-9.1-177.5-67.60000114.3Q255 S261Q255-S259 WeakPolarHBondContact O-CB 3.46Å; Q255-S259 PolarHBondContact O-N 3.07Å; Q255-S259 PolarHBondContact O-OG 2.83Å; S259-S261 PolarHBondContact O-N 3Å
260R52.3Low54.1Low172 Ų172104.4 Ų104.465%0.64961%0.609SS**THydrogen-bonded Turntrans-94.241.3-168.2-143.5176.2-164-166.94.4115.3N234 Y258N234-R260 PolarHBondContact OD1-NH1 2.92Å; Y258-R260 VanDerWaalsContact C-N 3.3Å; Y258-R260 PolarHBondContact O-N 3.18Å
261S47.7Very low52.3Low116 Ų116104.3 Ų104.381%0.81162%0.62SS**THydrogen-bonded Turntrans-109.61.2175.665.50000115.4S259S259-S261 PolarHBondContact O-N 3Å
262S44.5Very low50.5Low87 Ų87109.4 Ų109.461%0.60864%0.636SS**SBendtrans-127.4-18-166.756.80000117.4
263N39.3Very low49Very low142 Ų142109.9 Ų109.976%0.75965%0.654SS**  trans-139.345.2-168.9-85.1-40.2000114.4S265N263-S265 VanDerWaalsContact C-N 3.26Å; N263-S265 PolarHBondContact O-N 2.79Å
264S37.1Very low47.3Very low103 Ų103112.7 Ų112.772%0.7268%0.678SS**  trans-86.945176.368.40000113.8V266S264-V266 PolarHBondContact O-N 2.7Å
265S33.3Very low46Very low112 Ų112113.8 Ų113.878%0.78369%0.69SS**  trans-77.866.5169.462.80000110.5N263 G267N263-S265 VanDerWaalsContact C-N 3.26Å; N263-S265 PolarHBondContact O-N 2.79Å; S265-G267 PolarHBondContact O-N 3.15Å
266V41.5Very low44.5Very low113 Ų113114.6 Ų114.669%0.68570%0.698SS**  trans-74.889.5180-1780000109.4S264 A268S264-V266 PolarHBondContact O-N 2.7Å; V266-A268 HydrophobicContact CG1-CB 4.11Å; V266-A268 PolarHBondContact O-N 2.85Å
267G30.9Very low43.1Very low83 Ų83116.7 Ų116.786%0.85672%0.718SS**  trans-71.488.2168.300000110.8S265S265-G267 PolarHBondContact O-N 3.15Å
268A37.4Very low41.8Very low89 Ų89120.5 Ų120.574%0.73674%0.743SS**  trans-145.4119.1172.300000109.5V266V266-A268 HydrophobicContact CG1-CB 4.11Å; V266-A268 PolarHBondContact O-N 2.85Å
269G33.3Very low40.6Very low71 Ų71117 Ų11773%0.73274%0.744SS**  cis-170.7153.8-10.400000109.6G271G269-G271 PolarHBondContact O-N 3.32Å
270H31.6Very low39.5Very low189 Ų189118.8 Ų118.888%0.87576%0.757SS**  trans-69.994176.1-98.4-78.7000110.3
271G35.5Very low39.2Very low75 Ų75119.3 Ų119.377%0.77377%0.766SS**  trans-103.488.1169.200000110.1G269 A273G269-G271 PolarHBondContact O-N 3.32Å; G271-A273 PolarHBondContact O-N 3.41Å
272E34.7Very low39.1Very low177 Ų177122.1 Ų122.183%0.82777%0.766SS**  trans-77.1112.4177.8-65.2-175.3149.600111.1
273A40.8Very low39.3Very low93 Ų93122.5 Ų122.577%0.76977%0.769SS**  trans-117.2107.8150.800000105.7G271G271-A273 PolarHBondContact O-N 3.41Å
274S37.8Very low39.7Very low102 Ų102122.8 Ų122.871%0.71377%0.771SS**  60.781.571.4-173.40000112
275E44.2Very low40.2Very low182 Ų182126.9 Ų126.985%0.8578%0.778SS**  -169.1157.2113.5-99162.8-172.400112.2
276D40Very low40.6Very low142 Ų142125.4 Ų125.476%0.75978%0.78SS**  trans54.196.9169.3-77.2-27.4000124
277C41.2Very low40.7Very low108 Ų108125.4 Ų125.473%0.7379%0.785SS**  58.3117.4109.8-60.20000122.1
278V42.7Very low41.1Very low127 Ų127126.2 Ų126.277%0.7778%0.778SS**  157.6131.2107.1166.80000111.9
279S42.8Very low41.4Very low99 Ų99127.7 Ų127.769%0.69278%0.783SS**  trans57121167.864.20000118.5
280S40.9Very low41.7Very low113 Ų113131.8 Ų131.879%0.7979%0.788SS**  cis85.891.438.682.40000116
281H46.1Very low42.4Very low182 Ų182132.1 Ų132.184%0.84379%0.787SS**  trans-151.5146.5132.4-149.8-77.9000110.9
282E44.9Very low42.7Very low176 Ų176133.2 Ų133.282%0.82278%0.783SS**  trans-96.9-174.6179.5-61.7168.4109.700111.7
283S49.6Very low43Very low95 Ų95130.3 Ų130.366%0.66478%0.782SS**  trans79.7141.4172.678.40000117.1
284D47.7Very low42.9Very low148 Ų148132 Ų13279%0.79179%0.788SS**  cis-160.7-178.1-21.6-119.7-43.2000112.8
285E46.4Very low42.8Very low189 Ų189131.8 Ų131.888%0.88379%0.786SS**  trans-31.9142.6175.6-51.8-174.6130.400118.1
286G41.8Very low42.6Very low80 Ų80131.2 Ų131.283%0.82579%0.787SS**  trans-165.2100.3170.800000114.5
287S44.3Very low42.3Very low113 Ų113131 Ų13179%0.7979%0.786SS**  trans-87139.8-171.5-161.80000115.3
288S39.8Very low41.9Very low100 Ų100136.1 Ų136.170%0.69979%0.792SS**  trans24.9124.2145.164.20000120.8
289S43.1Very low41.4Very low120 Ų120136.4 Ų136.484%0.83979%0.794SS**  trans-158.6142134.750.50000112.3
290D40.6Very low41Very low157 Ų157135.8 Ų135.884%0.8479%0.789SS**  trans-74.5148.5-177.6-54.7-88000113.8
291K45.6Very low40.7Very low197 Ų197138.3 Ų138.386%0.85779%0.789SS**  trans-157.8101.5147.6-115.9156-170.8168.70115.8
292S41.7Very low40.1Very low97 Ų97136.3 Ų136.368%0.67878%0.784SS**  trans56.4104.7133.163.30000120.6
293S41.3Very low39.5Very low116 Ų116134.4 Ų134.481%0.81178%0.784SS**  66.5114.2122.967.90000121.4
294S39Very low38.7Very low128 Ų128135.5 Ų135.590%0.89579%0.789SS**  -136.8158104.963.10000109.4
295S35Very low38Very low98 Ų98136.1 Ų136.169%0.68579%0.792SS**  trans-133.4160.5179.566.10000111.5
296I39.9Very low37.4Very low170 Ų170133.5 Ų133.587%0.87279%0.794SS**  trans-164.5143.3140.8-100.9153.3000107.2
297D34.9Very low37.1Very low138 Ų138134.1 Ų134.174%0.73879%0.792SS**  trans-96.8156.6-150-62-84000116.9
298Y32.1Very low36.8Very low215 Ų215134.6 Ų134.684%0.84379%0.792SS**  trans-69.8135.8159.7-104.3-105.7000110.8
299V32.7Very low36.4Very low133 Ų133134 Ų13481%0.80679%0.793SS**  trans-140.4112.1149.6-176.50000110.6
300S32.8Very low36.1Very low86 Ų86135.2 Ų135.260%0.60180%0.795SS**  trans-101.2133.8164.1-54.70000109.7
301Q34.6Very low35.7Very low167 Ų167133.7 Ų133.778%0.7879%0.787SS**  trans-167106.6157.4-113.1147.785.800115.7
302N34Very low35.4Very low140 Ų140131.8 Ų131.875%0.74978%0.784SS**  49.3102.4124.7-50.4-8.3000121.4
303V31.9Very low35.1Very low136 Ų136132.8 Ų132.882%0.82478%0.782SS**  25.6123110.3-177.70000115.8
304P33.6Very low35Very low118 Ų118134.8 Ų134.877%0.76678%0.784SS**  -152.2170.775.542.2-23000120.4
305L32.3Very low34.8Very low161 Ų161134.9 Ų134.984%0.84378%0.779SS**  trans-38.4142.9169.2-63.1145.3000117.7
306S35.5Very low34.6Very low133 Ų133135 Ų13593%0.9378%0.78SS**  trans-169.2145133.1-81.30000111.4
307A34.1Very low34.4Very low94 Ų94132.2 Ų132.278%0.77777%0.772SS**  trans-118.2160.4178.200000111.9
308P37.8Very low34.1Very low122 Ų122135.2 Ų135.279%0.79278%0.782SS**  -131.5137118.935-25.6000111
309A31.8Very low34Very low88 Ų88129.2 Ų129.273%0.72778%0.777SS**  cis89.2145.849.900000113.6
310V37.4Very low33.7Very low146 Ų146128 Ų12889%0.88577%0.774SS**  trans77.9130.9-177.8-172.50000113.9
311D31.2Very low33.6Very low124 Ų124130.2 Ų130.266%0.66378%0.779SS**  cis-131167.5-4.5-163.621.2000112.1N313D311-N313 PolarHBondContact OD2-ND2 2.83Å
312I39.5Very low33.4Very low157 Ų157130.3 Ų130.381%0.80578%0.783SS**  trans-130.681.7-174.1-47.5172.1000110.4
313N36.5Very low33.7Very low119 Ų119130.1 Ų130.164%0.63678%0.78SS**  trans-140.5151.9173.2-73.7-70.7000109.3D311D311-N313 PolarHBondContact OD2-ND2 2.83Å
314D38.6Very low33.9Very low158 Ų158129.8 Ų129.885%0.84577%0.774SS**  trans61.694.5-170.4-59.2-15.6000114.1
315V34.7Very low34.6Very low130 Ų130127.6 Ų127.679%0.78877%0.766SS**  cis69.9127.717.1-179.30000113.4
316S31.1Very low35.2Very low101 Ų101126.3 Ų126.371%0.70676%0.76SS**  cis-160.7-134.6-15.3-158.40000112.1
317P35.6Very low35.7Very low110 Ų110125.3 Ų125.371%0.71475%0.748SS**  -135.9119-111.439.5-18.7000119.1
318E29.2Very low36.3Very low202 Ų202126.3 Ų126.394%0.94474%0.741SS**  trans-148.2142.5162.7-63.4-171.8173.200108.8
319A29.8Very low36.5Very low89 Ų89127.7 Ų127.774%0.73673%0.731SS**  cis-148.1148.4-7.300000107.9
320S26.3Very low37.1Very low106 Ų106129.1 Ų129.174%0.74173%0.726SS**  37.7124.392.4166.20000113.7
321L30.2Very low37.3Very low133 Ų133127.7 Ų127.770%0.69671%0.714SS**  cis-157.4140.439.7-173.771.5000111.3I323L321-I323 HydrophobicContact CD2-CD1 3.89Å; L321-I323 HydrophobicContact CD2-CG1 3.71Å; L321-I323 HydrophobicContact CG-CG1 4.1Å
322I30.7Very low37.9Very low170 Ų170127.3 Ų127.387%0.87272%0.715SS**  trans-104.2123.4164.7-60.8177.6000108.2
323I40.1Very low37.9Very low135 Ų135126.7 Ų126.769%0.69271%0.707SS**  trans-103.2128.7171.6-59.7178.7000107.8L321 A325L321-I323 HydrophobicContact CD2-CD1 3.89Å; L321-I323 HydrophobicContact CD2-CG1 3.71Å; L321-I323 HydrophobicContact CG-CG1 4.1Å; I323-A325 PolarHBondContact O-N 3.49Å
324D35.8Very low38Very low129 Ų129132.4 Ų132.469%0.6972%0.72SS**  trans-75.7119.4177.3-168.9-18.9000110.2D326D324-D326 PolarHBondContact OD1-N 3.17Å
325A48.8Very low37.7Very low72 Ų72128.8 Ų128.860%0.59571%0.707SS**  trans-101.2-7.3-167.200000114.4I323 T327I323-A325 PolarHBondContact O-N 3.49Å; A325-T327 PolarHBondContact O-N 2.9Å
326D44.8Very low37.8Very low135 Ų135127.4 Ų127.472%0.72270%0.703SS**THydrogen-bonded Turntrans-68.1-13.9-167-82.9-3.5000114.5D324D324-D326 PolarHBondContact OD1-N 3.17Å
327T45.4Very low38.2Very low111 Ų111132.6 Ų132.668%0.68171%0.707SS**THydrogen-bonded Turntrans-81.4-37.7-173-55.40000113.9A325A325-T327 PolarHBondContact O-N 2.9Å
328D47.7Very low38.3Very low116 Ų116131.6 Ų131.662%0.6270%0.696SS**THydrogen-bonded Turntrans-92.8-26.6-170.2-87.5-37000114.9N330 N331D328-N330 PolarHBondContact O-N 3.19Å; D328-N331 PolarHBondContact O-N 3.03Å; D328-N331 VanDerWaalsContact O-N 3.07Å
329Y41.9Very low39.1Very low151 Ų151126.5 Ų126.559%0.59268%0.683SS**Hα-helixtrans-57.2-30.5-172.3-172.7-99.5000113.9K333Y329-K333 HydrophobicContact CE1-CD 4.25Å; Y329-K333 PolarHBondContact OH-NZ 3Å
330N42.9Very low39.8Very low118 Ų118129 Ų12963%0.63168%0.679SS**Hα-helixtrans-77.4-22.6-178-71.9-62.2000114.3D328D328-N330 PolarHBondContact O-N 3.19Å
331N43Very low40.8Very low116 Ų116129 Ų12962%0.6267%0.667SS**Hα-helixtrans-83.9-36.2-177.9-72.2-38000112.5D328 K333D328-N331 PolarHBondContact O-N 3.03Å; D328-N331 VanDerWaalsContact O-N 3.07Å; N331-K333 VanDerWaalsContact C-N 3.27Å; N331-K333 PolarHBondContact O-N 3.11Å
332V42.8Very low41.4Very low115 Ų115131.9 Ų131.970%0.69767%0.67SS**Hα-helixtrans-65.8-29.7-177.6-177.80000112.2R334V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 3.47Å
333K40.2Very low42Very low145 Ų145132.7 Ų132.763%0.6366%0.664SS**THydrogen-bonded Turntrans-83.914.1-164.9-152.1166.2-173.6167.40115.7Y329 N331Y329-K333 HydrophobicContact CE1-CD 4.25Å; Y329-K333 PolarHBondContact OH-NZ 3Å; N331-K333 VanDerWaalsContact C-N 3.27Å; N331-K333 PolarHBondContact O-N 3.11Å
334R38.1Very low42.5Very low238 Ų238130 Ų13090%0.89865%0.651SS**THydrogen-bonded Turntrans-137.97.7-172.1-95.3-176.8170.8168.4-1.7116.9V332V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 3.47Å
335S33.5Very low43.1Very low83 Ų83128.8 Ų128.858%0.5864%0.644SS**SBendtrans-142133.9177.253.50000110.4
336S35.9Very low42.9Very low100 Ų100133 Ų13370%0.69965%0.651SS**  trans63.4144.4-155.374.40000112.3
337W38.7Very low43.3Very low210 Ų210132.7 Ų132.780%0.79565%0.645SS**  cis-122.6153.58.4-68.959.2000110.8E341W337-E341 HydrophobicContact CE3-CB 4.05Å; W337-E341 HydrophobicContact CZ3-CB 4.46Å
338N38.3Very low43.3Very low89 Ų89133.5 Ų133.548%0.47664%0.641SS.*  trans-88.2148.6174.6-179.431.8000110.3E340 E341N338-E340 PolarHBondContact ND2-OE2 3.24Å; N338-E340 PolarHBondContact O-N 3.08Å; N338-E341 PolarHBondContact N-OE2 3.44Å; N338-E341 PolarHBondContact O-N 3.23Å
339S46Very low43.2Very low96 Ų96133.2 Ų133.267%0.67164%0.637SS**THydrogen-bonded Turntrans-68.1-5.8-172.150.30000115.5
340E45.2Very low43.4Very low141 Ų141129 Ų12966%0.65963%0.63SS**THydrogen-bonded Turntrans-83-29.6175.9-70167.9114.500112.5N338 Y342 Y343N338-E340 PolarHBondContact ND2-OE2 3.24Å; N338-E340 PolarHBondContact O-N 3.08Å; E340-Y342 PolarHBondContact O-N 3.37Å; E340-Y343 PolarHBondContact O-N 3.19Å
341E47.1Very low43.4Very low105 Ų105130.6 Ų130.649%0.49164%0.638SS.*G310 helixtrans-70-22.2-176.1-65.8170.7134.900112.7W337 N338 Y343 N344W337-E341 HydrophobicContact CE3-CB 4.05Å; W337-E341 HydrophobicContact CZ3-CB 4.46Å; N338-E341 PolarHBondContact N-OE2 3.44Å; N338-E341 PolarHBondContact O-N 3.23Å; E341-Y343 PolarHBondContact O-N 3.27Å; E341-N344 PolarHBondContact O-N 2.94Å
342Y42Very low43.4Very low194 Ų194132 Ų13276%0.76165%0.646SS**G310 helixtrans-63.6-25.6179.1-164.3-92.4000113.2E340E340-Y342 PolarHBondContact O-N 3.37Å
343Y42.8Very low42.9Very low188 Ų188129.4 Ų129.474%0.73764%0.641SS**G310 helixtrans-89.1-15.7-177.8-74.1-77.8000114.3E340 E341 L345E340-Y343 PolarHBondContact O-N 3.19Å; E341-Y343 PolarHBondContact O-N 3.27Å; Y343-L345 VanDerWaalsContact C-N 3.32Å
344N51.5Low42.7Very low78 Ų78128.7 Ų128.742%0.41764%0.644SS.*THydrogen-bonded Turntrans-860.4177.4-83.949.8000113.8E341 E346 E347 H348E341-N344 PolarHBondContact O-N 2.94Å; N344-E346 PolarHBondContact O-N 3.47Å; N344-E347 PolarHBondContact ND2-OE2 3.19Å; N344-E347 PolarHBondContact O-N 3.49Å; N344-H348 PolarHBondContact O-CD2 3.41Å; N344-H348 PolarHBondContact O-N 2.81Å
345L48.1Very low42.6Very low104 Ų104125.1 Ų125.155%0.54564%0.637SS.*Hα-helixtrans-61.6-33.2179.1-159.874.6000112.4Y343 H348 M349Y343-L345 VanDerWaalsContact C-N 3.32Å; L345-H348 PolarHBondContact O-N 3.35Å; L345-M349 HydrophobicContact CD2-CE 3.56Å; L345-M349 HydrophobicContact CG-CE 3.67Å; L345-M349 WeakPolarHBondContact O-CG 3.44Å; L345-M349 PolarHBondContact O-N 3.4Å
346E45.8Very low42.8Very low159 Ų159128.8 Ų128.874%0.74365%0.649SS**Hα-helixtrans-73-33.1177.9-167.8166.8-171.900112.4N344 S350N344-E346 PolarHBondContact O-N 3.47Å; E346-S350 WeakPolarHBondContact O-CB 3.24Å; E346-S350 PolarHBondContact O-N 3.47Å; E346-S350 VanDerWaalsContact O-N 3.12Å; E346-S350 PolarHBondContact O-OG 3.01Å
347E52.1Low42.7Very low129 Ų129129.2 Ų129.260%0.60365%0.652SS**Hα-helixtrans-68.5-38.9171.4-168.9174.1-134.900111N344 S350 L351N344-E347 PolarHBondContact ND2-OE2 3.19Å; N344-E347 PolarHBondContact O-N 3.49Å; E347-S350 PolarHBondContact O-N 2.96Å; E347-L351 PolarHBondContact O-N 3.11Å
348H46.3Very low42.8Very low129 Ų129125.4 Ų125.460%0.59766%0.655SS**Hα-helixtrans-65-45.6173.6-86-73.1000113.2N344 L345 S350 L351N344-H348 PolarHBondContact O-CD2 3.41Å; N344-H348 PolarHBondContact O-N 2.81Å; L345-H348 PolarHBondContact O-N 3.35Å; H348-S350 VanDerWaalsContact C-N 3.25Å; H348-S350 PolarHBondContact O-N 2.82Å; H348-L351 WeakPolarHBondContact O-CB 3.5Å; H348-L351 PolarHBondContact O-N 2.91Å; H348-L351 VanDerWaalsContact O-N 3.15Å
349M45.4Very low42.7Very low109 Ų109127.5 Ų127.554%0.53766%0.664SS.*Hα-helixtrans-66.3-27.9177.6-68.5-167.8-139.900113L345 L351L345-M349 HydrophobicContact CD2-CE 3.56Å; L345-M349 HydrophobicContact CG-CE 3.67Å; L345-M349 WeakPolarHBondContact O-CG 3.44Å; L345-M349 PolarHBondContact O-N 3.4Å; M349-L351 PolarHBondContact O-N 3.24Å
350S45.3Very low42.3Very low64 Ų64127.6 Ų127.645%0.44867%0.671SS.*Hα-helixtrans-67.2-24.2174.8-61.80000113.1E346 E347 H348E346-S350 WeakPolarHBondContact O-CB 3.24Å; E346-S350 PolarHBondContact O-N 3.47Å; E346-S350 VanDerWaalsContact O-N 3.12Å; E346-S350 PolarHBondContact O-OG 3.01Å; E347-S350 PolarHBondContact O-N 2.96Å; H348-S350 VanDerWaalsContact C-N 3.25Å; H348-S350 PolarHBondContact O-N 2.82Å
351L42.5Very low41.8Very low150 Ų150127.4 Ų127.479%0.78568%0.679SS**Hα-helixtrans-75.5-30.6-177.8-142.878.2000113.3E347 H348 M349 G353E347-L351 PolarHBondContact O-N 3.11Å; H348-L351 WeakPolarHBondContact O-CB 3.5Å; H348-L351 PolarHBondContact O-N 2.91Å; H348-L351 VanDerWaalsContact O-N 3.15Å; M349-L351 PolarHBondContact O-N 3.24Å; L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 2.91Å
352D44.2Very low41.1Very low147 Ų147130.8 Ų130.879%0.78670%0.7SS**THydrogen-bonded Turntrans-90.212.6179.9-78.3-38000113.6L354D352-L354 PolarHBondContact O-N 2.83Å
353G32.3Very low41.1Very low59 Ų59130.4 Ų130.461%0.60871%0.705SS**THydrogen-bonded Turntrans80.811168.500000116.2L351 H355L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 2.91Å; G353-H355 PolarHBondContact O-N 3.39Å
354L35.3Very low40.8Very low131 Ų131131.1 Ų131.169%0.68671%0.712SS**  trans-87.270177.2-82.6163.9000112.1D352 L356D352-L354 PolarHBondContact O-N 2.83Å; L354-L356 PolarHBondContact O-N 3.28Å; L354-L356 VanDerWaalsContact O-N 3.12Å
355H35.9Very low40.2Very low163 Ų163138.6 Ų138.676%0.75574%0.735SS**  trans-69.7104.7171.9-98.1-67.9000111.8G353G353-H355 PolarHBondContact O-N 3.39Å
356L38Very low39.6Very low160 Ų160140.7 Ų140.784%0.83875%0.746SS**PPolyproline II helixtrans-85125.8163.1-67170.7000109.3L354L354-L356 PolarHBondContact O-N 3.28Å; L354-L356 VanDerWaalsContact O-N 3.12Å
357S34.8Very low39.2Very low109 Ų109139.3 Ų139.376%0.76275%0.754SS**PPolyproline II helixtrans-85.4138.5178.5-66.90000111.6
358P39.8Very low38.5Very low130 Ų130138.5 Ų138.584%0.84476%0.763SS**PPolyproline II helixtrans-64.3143-178.4-23.934.6000114.5
359I37.4Very low38.1Very low133 Ų133141.3 Ų141.368%0.68277%0.774SS**PPolyproline II helixtrans-83.7129.8174.4-55.1163.3000109Q20Q20-I359 VanDerWaalsContact NE2-CD1 3.28Å
360A35.6Very low37.7Very low98 Ų98142.2 Ų142.281%0.8179%0.789SS**PPolyproline II helixtrans-73.9128.418000000112.5
361T35Very low37.4Very low136 Ų136146.2 Ų146.283%0.83480%0.801SS**PPolyproline II helixtrans-85.2119.9176.649.40000111.9E363T361-E363 PolarHBondContact O-N 3.06Å
362L33.7Very low37.2Very low176 Ų176145.5 Ų145.592%0.92180%0.798SS**  trans-84.8102.9176.5-17176.2000111.1
363E41.1Very low37Very low186 Ų186143.6 Ų143.687%0.86979%0.792SS**  trans-86.1147.1180-159170.5-139.100112.9T361T361-E363 PolarHBondContact O-N 3.06Å
364K36.8Very low37.5Very low204 Ų204146.8 Ų146.889%0.88780%0.795SS**  trans-77.6146.7-172.5-66.9176.1179.6173.50112.6
365R37.8Very low38Very low235 Ų235146.5 Ų146.589%0.88780%0.802SS**  trans-141.6157.2167.8-138.2-178.5-160.6154.77.3113
366N36.1Very low38.3Very low147 Ų147148.6 Ų148.679%0.78680%0.804SS**  trans94.4101.4162.3-54.4-9.7000118.3
367S37.9Very low38.5Very low131 Ų131147.1 Ų147.192%0.91680%0.797SS**  -146.2162.5111.763.70000109.1
368S36.8Very low39Very low112 Ų112146.6 Ų146.678%0.78379%0.793SS**  trans-124.5146-154.954.90000114.8
369F38.6Very low39.1Very low187 Ų187145.4 Ų145.482%0.8278%0.78SS**  trans-147.9123155.8-156.7-92000110.4
370C36.1Very low39.6Very low128 Ų128146.1 Ų146.187%0.86578%0.78SS**  trans-142.1124.1178.1-72.50000109.3
371E39.5Very low40.2Very low149 Ų149148.7 Ų148.770%0.69678%0.775SS**  trans-154.3118.9168.2-170.3168.8-154.900110.9
372N38.9Very low40.7Very low134 Ų134150.6 Ų150.672%0.71778%0.775SS**  trans61.7142.2166.1-61-29.9000118.5
373T38.7Very low41Very low107 Ų107147.2 Ų147.266%0.65677%0.766SS**  cis-162.1149.1-7.712.90000109.2
374N43.5Very low40.8Very low126 Ų126144.1 Ų144.167%0.67476%0.763SS**  trans69147.2177.4-47.6-47.4000113.9
375C45.6Very low41Very low125 Ų125139.1 Ų139.185%0.84575%0.754SS**  cis-132.8116.925-63.10000115
376W42.3Very low41.2Very low207 Ų207135.1 Ų135.178%0.78475%0.75SS**  trans22.3119.4136.9-72.165.9000121.7
377N41.6Very low41.3Very low129 Ų129135 Ų13569%0.6975%0.75SS**  trans72.7146.9137.3-60.923.9000118.8
378S45.5Very low41.8Very low98 Ų98133.6 Ų133.669%0.68574%0.738SS**  cis-145.8138.216.550.80000114.8
379N42.9Very low41.8Very low106 Ų106132.9 Ų132.957%0.56773%0.728SS**  trans60.4110.5134.8-60.450.5000118.4
380E48.8Very low41.9Very low147 Ų147134.9 Ų134.969%0.68773%0.73SS**  95.5141.890-77.5152.4-160.500111.1
381E47.2Very low41.9Very low153 Ų153135.5 Ų135.572%0.71572%0.724SS**  cis-156.8144.88.9-131.6159.1-157.100111.7
382E44.9Very low41.8Very low175 Ų175134.7 Ų134.782%0.81872%0.724SS**  trans53.5153.1147-75.6-170.3152.400124.1
383S40.3Very low41.7Very low105 Ų105134.4 Ų134.473%0.73473%0.731SS**  cis-157.2170.7-8.742.10000113.7
384C37.8Very low41.7Very low121 Ų121134.5 Ų134.582%0.81874%0.737SS**  trans-81.3-166.9-169.9-51.40000114.7
385S41.3Very low41.4Very low100 Ų100134.9 Ų134.970%0.69975%0.746SS**  cis-151.3-160.38.5-43.90000110.4
386D41.8Very low40.7Very low150 Ų150134.2 Ų134.280%0.80274%0.742SS**  cis-159.9155.10.2-125.2-47000110.2
387D36.9Very low40.6Very low146 Ų146131.3 Ų131.378%0.78175%0.748SS**  trans-171.7175.8178.8-151.324.7000109.1
388P48.6Very low40.2Very low101 Ų101130.6 Ų130.666%0.65675%0.75SS**  cis-125.3-103.1-35.231.3-10.3000113.1
389V36.8Very low40Very low97 Ų97136.7 Ų136.759%0.58876%0.758SS**  trans74.1126.7173.6-139.30000116
390W41.1Very low40Very low228 Ų228137.4 Ų137.486%0.86477%0.766SS**  -161.3-168.267.7-88.294.3000116
391I35.6Very low39.8Very low141 Ų141138.7 Ų138.772%0.72377%0.772SS**  trans-111.2160.4-146.2-69.2172000116.2
392D38.2Very low39.6Very low133 Ų133137.1 Ų137.171%0.71177%0.768SS**  trans-55.9163.8179-159.8-1.7000118.6
393C35.7Very low39.5Very low127 Ų127132.3 Ų132.386%0.85876%0.758SS**  trans-161.5113.6168.6-99.40000112.7
394S39.2Very low39.8Very low110 Ų110131.6 Ų131.677%0.76975%0.749SS**  trans-102156.6175.2-72.70000113.9
395P36.5Very low40.1Very low133 Ų133132.9 Ų132.986%0.86474%0.743SS**  trans-131.7167.8149.738-25.7000114.2
396S32.6Very low40.3Very low111 Ų111132.3 Ų132.378%0.77674%0.739SS**  trans-120.8149.3-167.654.50000114.6
397T39.4Very low40.4Very low146 Ų146134.9 Ų134.990%0.89674%0.738SS**  trans-176.2162.8153.114.60000111
398P33.9Very low40.7Very low114 Ų114138.2 Ų138.274%0.7474%0.739SS**  trans-96.2158.6-156.236.7-37.5000117
399R40.4Very low40.5Very low227 Ų227136.8 Ų136.886%0.85774%0.736SS**  trans-108.2118.7167.6-76.1177.3168.2171.3-4.3110.6
400V43Very low40.9Very low120 Ų120135.5 Ų135.573%0.72774%0.736SS**  trans-131.3-36.4171.2179.60000112.7
401E44.4Very low41.1Very low175 Ų175131.6 Ų131.682%0.81873%0.732SS**SBendtrans-77.4-26.5-169.3-64.4-176.811000115.3A403 T404E401-A403 VanDerWaalsContact C-N 3.34Å; E401-A403 PolarHBondContact O-N 3.18Å; E401-T404 PolarHBondContact O-N 3.08Å; E401-T404 PolarHBondContact O-OG1 2.78Å
402L42.7Very low41.4Very low119 Ų119127.7 Ų127.762%0.62373%0.727SS**THydrogen-bonded Turntrans-66.2-29.5-166.3-155.371.4000114.3T404 Q405L402-T404 PolarHBondContact O-N 3.5Å; L402-Q405 PolarHBondContact O-N 3.2Å
403A43.3Very low41.7Very low74 Ų74128.6 Ų128.661%0.61273%0.73SS**Hα-helixtrans-66.4-25.6-178.900000113.4E401 Q405E401-A403 VanDerWaalsContact C-N 3.34Å; E401-A403 PolarHBondContact O-N 3.18Å; A403-Q405 VanDerWaalsContact C-N 3.29Å; A403-Q405 PolarHBondContact O-N 3.34Å
404T47.6Very low42.1Very low90 Ų90130 Ų13055%0.55272%0.723SS**Hα-helixtrans-72-23.8-174.7-28.10000112.9E401 L402E401-T404 PolarHBondContact O-N 3.08Å; E401-T404 PolarHBondContact O-OG1 2.78Å; L402-T404 PolarHBondContact O-N 3.5Å
405Q43.9Very low42.6Very low149 Ų149129.3 Ų129.370%0.69672%0.718SS**Hα-helixtrans-84.7-41.3-173.4-157.4164.5900111.9L402 A403 R407 R408L402-Q405 PolarHBondContact O-N 3.2Å; A403-Q405 VanDerWaalsContact C-N 3.29Å; A403-Q405 PolarHBondContact O-N 3.34Å; Q405-R407 VanDerWaalsContact C-N 3.31Å; Q405-R407 PolarHBondContact O-N 2.94Å; Q405-R408 PolarHBondContact O-N 2.96Å; Q405-R408 VanDerWaalsContact O-N 3.07Å
406S45.3Very low43.1Very low87 Ų87131.1 Ų131.161%0.60871%0.713SS**Hα-helixtrans-59.8-37.5176.5-55.10000112.9R408 A409 A410S406-R408 PolarHBondContact O-N 2.96Å; S406-R408 VanDerWaalsContact O-N 3.11Å; S406-A409 PolarHBondContact O-N 3.33Å; S406-A410 PolarHBondContact O-N 3.31Å
407R42.9Very low43.9Very low204 Ų204128 Ų12877%0.7770%0.698SS**Hα-helixtrans-61.7-16.3175.9-84.7-172.5171.8-179.2-1.7114.5Q405Q405-R407 VanDerWaalsContact C-N 3.31Å; Q405-R407 PolarHBondContact O-N 2.94Å
408R43.2Very low44.3Very low216 Ų216128.5 Ų128.582%0.81569%0.688SS**Hα-helixtrans-87.7-21.3173.3-66.2-171.7-179.2-1781.5113.6Q405 S406Q405-R408 PolarHBondContact O-N 2.96Å; Q405-R408 VanDerWaalsContact O-N 3.07Å; S406-R408 PolarHBondContact O-N 2.96Å; S406-R408 VanDerWaalsContact O-N 3.11Å
409A44.4Very low45.5Very low72 Ų72127 Ų12760%0.59568%0.677SS**Hα-helixtrans-81.2-40.1177.800000112.1S406 N411 G412S406-A409 PolarHBondContact O-N 3.33Å; A409-N411 VanDerWaalsContact C-N 3.29Å; A409-N411 PolarHBondContact O-N 3.3Å; A409-G412 PolarHBondContact O-N 2.88Å
410A46.8Very low46.8Very low70 Ų70119.6 Ų119.658%0.57966%0.66SS**G310 helixtrans-59.6-35.1-176.800000113.7S406 G412S406-A410 PolarHBondContact O-N 3.31Å; A410-G412 PolarHBondContact O-N 3.07Å
411N45.1Very low48.1Very low145 Ų145119.5 Ų119.578%0.77565%0.654SS**G310 helixtrans-75.70-177.2-67.34.7000114.3A409A409-N411 VanDerWaalsContact C-N 3.29Å; A409-N411 PolarHBondContact O-N 3.3Å
412G41.3Very low49.3Very low60 Ų60114.7 Ų114.762%0.61964%0.636SS**G310 helixtrans-90.6-14.1-177.200000115.7A409 A410 H414A409-G412 PolarHBondContact O-N 2.88Å; A410-G412 PolarHBondContact O-N 3.07Å; G412-H414 PolarHBondContact O-N 3.01Å
413I45.3Very low50.8Low152 Ų152115 Ų11578%0.77964%0.635SS**  trans-99.789.9-169.6-53.1-179.4000110.1S415I413-S415 PolarHBondContact O-N 3.34Å
414H42.5Very low52.6Low156 Ų156116.9 Ų116.972%0.72263%0.629SS**  trans-64.8130174.5-95.9-100.5000111.7G412 F416G412-H414 PolarHBondContact O-N 3.01Å; H414-F416 PolarHBondContact O-N 3.04Å
415S50.5Low53.8Low95 Ų95114.9 Ų114.966%0.66462%0.622SS**THydrogen-bonded Turntrans-64.2-11-173.646.90000116.2I413 G417 F418I413-S415 PolarHBondContact O-N 3.34Å; S415-G417 VanDerWaalsContact C-N 3.26Å; S415-G417 PolarHBondContact O-N 3.05Å; S415-F418 PolarHBondContact O-N 3.28Å
416F48Very low55.3Low171 Ų171113.3 Ų113.375%0.7562%0.617SS**Hα-helixtrans-60.4-30.8179.6-91.8-93.6000114.1H414 F418H414-F416 PolarHBondContact O-N 3.04Å; F416-F418 VanDerWaalsContact C-N 3.34Å; F416-F418 PolarHBondContact O-N 2.71Å
417G49.2Very low57Low45 Ų45115.4 Ų115.446%0.46462%0.618SS.*Hα-helixtrans-65.3-33.5-175.700000114.1S415 I421S415-G417 VanDerWaalsContact C-N 3.26Å; S415-G417 PolarHBondContact O-N 3.05Å; G417-I421 WeakPolarHBondContact O-CD1 3.46Å; G417-I421 WeakPolarHBondContact O-CG1 3.42Å
418F46.7Very low58.7Low157 Ų157110.3 Ų110.369%0.68960%0.603SS**Hα-helixtrans-78.9-41.4-175.4-166.5-97000112.4S415 F416 S420 I421 V422S415-F418 PolarHBondContact O-N 3.28Å; F416-F418 VanDerWaalsContact C-N 3.34Å; F416-F418 PolarHBondContact O-N 2.71Å; F418-S420 PolarHBondContact O-N 2.88Å; F418-I421 PolarHBondContact O-N 3.43Å; F418-V422 HydrophobicContact CD1-CG2 4.16Å; F418-V422 HydrophobicContact CE1-CG2 3.85Å; F418-V422 HydrophobicContact CZ-CG2 4.36Å; F418-V422 PolarHBondContact O-N 2.86Å
419V59.2Low59.8Low82 Ų82105.1 Ų105.150%0.49759%0.589SS.*Hα-helixtrans-60-48179.7-178.10000110.7I421 V422 E423V419-I421 VanDerWaalsContact C-N 3.26Å; V419-I421 PolarHBondContact O-N 2.87Å; V419-V422 PolarHBondContact O-N 3.31Å; V419-V422 VanDerWaalsContact O-N 3.08Å; V419-E423 HydrophobicContact CG1-CG 4.24Å; V419-E423 WeakPolarHBondContact O-CG 3.34Å; V419-E423 PolarHBondContact O-N 3.44Å
420S66.9Low61.2Low72 Ų72106.7 Ų106.750%0.50359%0.587SS.*Hα-helixtrans-61.7-29.8179.9178.40000113.7F418 K424F418-S420 PolarHBondContact O-N 2.88Å; S420-K424 WeakPolarHBondContact O-CB 3.37Å; S420-K424 PolarHBondContact O-N 2.74Å
421I70.4Confident62.3Low118 Ų118109 Ų10961%0.60559%0.59SS**Hα-helixtrans-72.6-41.4175.1-68.2168.1000110.7G417 F418 V419 A425G417-I421 WeakPolarHBondContact O-CD1 3.46Å; G417-I421 WeakPolarHBondContact O-CG1 3.42Å; F418-I421 PolarHBondContact O-N 3.43Å; V419-I421 VanDerWaalsContact C-N 3.26Å; V419-I421 PolarHBondContact O-N 2.87Å; I421-A425 WeakPolarHBondContact O-CB 3.31Å; I421-A425 PolarHBondContact O-N 2.99Å
422V69.9Low63.3Low74 Ų74109.2 Ų109.245%0.44859%0.586SS.*Hα-helixtrans-69-44.2178.8176.20000111.3F418 V419 K424 A425 L426F418-V422 HydrophobicContact CD1-CG2 4.16Å; F418-V422 HydrophobicContact CE1-CG2 3.85Å; F418-V422 HydrophobicContact CZ-CG2 4.36Å; F418-V422 PolarHBondContact O-N 2.86Å; V419-V422 PolarHBondContact O-N 3.31Å; V419-V422 VanDerWaalsContact O-N 3.08Å; V422-K424 PolarHBondContact O-N 3.03Å; V422-A425 PolarHBondContact O-N 3.47Å; V422-L426 PolarHBondContact O-N 3.35Å
423E75.3Confident64.4Low125 Ų125111.5 Ų111.558%0.58459%0.591SS**Hα-helixtrans-58-47.6175.8-71.9176.5139.700111.4V419 A425 L426 E427V419-E423 HydrophobicContact CG1-CG 4.24Å; V419-E423 WeakPolarHBondContact O-CG 3.34Å; V419-E423 PolarHBondContact O-N 3.44Å; E423-A425 PolarHBondContact O-N 3.16Å; E423-L426 WeakPolarHBondContact O-CB 3.25Å; E423-L426 PolarHBondContact O-N 3.31Å; E423-E427 PolarHBondContact O-N 2.92Å
424K80.1Confident65.5Low115 Ų115110.4 Ų110.450%0.559%0.587SS.*Hα-helixtrans-65.1-36.3179.1-170.4170.6-174.2-70.30113S420 V422 L426 E427 E428S420-K424 WeakPolarHBondContact O-CB 3.37Å; S420-K424 PolarHBondContact O-N 2.74Å; V422-K424 PolarHBondContact O-N 3.03Å; K424-L426 VanDerWaalsContact C-N 3.35Å; K424-E427 PolarHBondContact O-N 3.35Å; K424-E428 IonicContact NZ-OE1 2.57Å; K424-E428 PolarHBondContact NZ-OE1 3.19Å; K424-E428 WeakPolarHBondContact O-CB 3.29Å; K424-E428 WeakPolarHBondContact O-CG 3.43Å; K424-E428 PolarHBondContact O-N 3.23Å
425A72.6Confident66.2Low48 Ų48110.3 Ų110.340%0.39760%0.604SS.*Hα-helixtrans-66.5-37.117400000112I421 V422 E423 M429I421-A425 WeakPolarHBondContact O-CB 3.31Å; I421-A425 PolarHBondContact O-N 2.99Å; V422-A425 PolarHBondContact O-N 3.47Å; E423-A425 PolarHBondContact O-N 3.16Å; A425-M429 WeakPolarHBondContact O-CG 3.46Å; A425-M429 PolarHBondContact O-N 3.27Å; A425-M429 VanDerWaalsContact O-N 3.12Å
426L75.8Confident67Low115 Ų115111.1 Ų111.160%0.60260%0.6SS**Hα-helixtrans-66.6-41.9174.8-136.480.4000111.8V422 E423 K424 M429 N430V422-L426 PolarHBondContact O-N 3.35Å; E423-L426 WeakPolarHBondContact O-CB 3.25Å; E423-L426 PolarHBondContact O-N 3.31Å; K424-L426 VanDerWaalsContact C-N 3.35Å; L426-M429 HydrophobicContact CD1-CE 3.99Å; L426-M429 PolarHBondContact O-N 3.11Å; L426-N430 WeakPolarHBondContact O-CB 3.25Å; L426-N430 PolarHBondContact O-N 3.34Å
427E80.5Confident68Low132 Ų132107.9 Ų107.962%0.61759%0.593SS**Hα-helixtrans-65.4-43.1178-167.9172.7-134.200111.8E423 K424 N430 L431E423-E427 PolarHBondContact O-N 2.92Å; K424-E427 PolarHBondContact O-N 3.35Å; E427-N430 PolarHBondContact O-N 3.11Å; E427-L431 WeakPolarHBondContact O-CG 3.37Å; E427-L431 PolarHBondContact O-N 3.39Å
428E78.4Confident69.1Low96 Ų96111.4 Ų111.445%0.44960%0.6SS.*Hα-helixtrans-65.4-36.2175.3-76.2179.8-17000113.2K424 Q432K424-E428 IonicContact NZ-OE1 2.57Å; K424-E428 PolarHBondContact NZ-OE1 3.19Å; K424-E428 WeakPolarHBondContact O-CB 3.29Å; K424-E428 WeakPolarHBondContact O-CG 3.43Å; K424-E428 PolarHBondContact O-N 3.23Å; E428-Q432 WeakPolarHBondContact O-CG 3.47Å; E428-Q432 PolarHBondContact O-N 3.5Å
429M67.3Low70.4Confident108 Ų108108.7 Ų108.753%0.53260%0.595SS.*Hα-helixtrans-67.8-44172.5-73.7-172.9-64.500111.9A425 L426 L431 Q432 C433A425-M429 WeakPolarHBondContact O-CG 3.46Å; A425-M429 PolarHBondContact O-N 3.27Å; A425-M429 VanDerWaalsContact O-N 3.12Å; L426-M429 HydrophobicContact CD1-CE 3.99Å; L426-M429 PolarHBondContact O-N 3.11Å; M429-L431 VanDerWaalsContact C-N 3.27Å; M429-L431 PolarHBondContact O-N 3.36Å; M429-Q432 PolarHBondContact O-N 3.02Å; M429-Q432 VanDerWaalsContact O-N 3.09Å; M429-C433 PolarHBondContact O-N 3.3Å
430N74.4Confident71.1Confident104 Ų104110.4 Ų110.456%0.55660%0.601SS**Hα-helixtrans-65.1-32.1-179.8-163.115.7000112L426 E427 C433 N434L426-N430 WeakPolarHBondContact O-CB 3.25Å; L426-N430 PolarHBondContact O-N 3.34Å; E427-N430 PolarHBondContact O-N 3.11Å; N430-C433 PolarHBondContact O-N 3.07Å; N430-N434 PolarHBondContact O-ND2 3.28Å; N430-N434 PolarHBondContact OD1-ND2 3.26Å
431L68.9Low71.4Confident120 Ų120112.9 Ų112.963%0.62861%0.607SS**Hα-helixtrans-65.5-37.1171.6-75.2166.5000112.8E427 M429 C433 N434E427-L431 WeakPolarHBondContact O-CG 3.37Å; E427-L431 PolarHBondContact O-N 3.39Å; M429-L431 VanDerWaalsContact C-N 3.27Å; M429-L431 PolarHBondContact O-N 3.36Å; L431-C433 VanDerWaalsContact C-N 3.34Å; L431-N434 PolarHBondContact O-N 2.96Å
432Q67Low71.4Confident148 Ų148112.6 Ų112.669%0.69261%0.607SS**Hα-helixtrans-72.8-24177.3-69.9179.721.300113.5E428 M429 N434E428-Q432 WeakPolarHBondContact O-CG 3.47Å; E428-Q432 PolarHBondContact O-N 3.5Å; M429-Q432 PolarHBondContact O-N 3.02Å; M429-Q432 VanDerWaalsContact O-N 3.09Å; Q432-N434 VanDerWaalsContact C-N 3.29Å
433C63.1Low71.6Confident108 Ų108115.5 Ų115.573%0.7362%0.619SS**THydrogen-bonded Turntrans-80.2-7174.6-66.40000114.1M429 N430 L431M429-C433 PolarHBondContact O-N 3.3Å; N430-C433 PolarHBondContact O-N 3.07Å; L431-C433 VanDerWaalsContact C-N 3.34Å
434N68.6Low71.2Confident129 Ų129114.8 Ų114.869%0.6962%0.622SS**THydrogen-bonded Turntrans-120.918.3-175.3-72.4-78.4000113.4N430 L431 Q432N430-N434 PolarHBondContact O-ND2 3.28Å; N430-N434 PolarHBondContact OD1-ND2 3.26Å; L431-N434 PolarHBondContact O-N 2.96Å; Q432-N434 VanDerWaalsContact C-N 3.29Å
435S58.4Low70.4Confident154 Ų154114.7 Ų114.7100%1.07763%0.634SS**  trans-127.20-17870.60000113.5

Retrieved 435 of 435 residues in 120.3 ms (Link to these results)