A0A060VNJ7_ONCMY Loading...

Transmembrane protein 127

AlphaFold DB , UniProt , Accession A0A060VNJ7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110535979, Length 239 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
1M33.6Very low39.4Very low234 Ų234137.3 Ų137.3100%1.15382%0.824SS**  0126.30-122.4165174.500106.9
2T35.6Very low39.5Very low131 Ų131135.4 Ų135.480%0.80482%0.817SS**  trans55.3142.5165.645.40000118.7
3M37.3Very low39.4Very low156 Ų156130.8 Ų130.877%0.76882%0.815SS**  cis-165.2-177.9-10.7-135.8-164.9-151.300108.9
4Y36.5Very low39.2Very low219 Ų219129.4 Ų129.486%0.85981%0.812SS**  trans106.8123160.7-70.1-79.7000120.3
5A37.9Very low39.3Very low83 Ų83136.9 Ų136.969%0.68682%0.818SS**  trans-123.1-169.8157.400000106.3
6P57.7Low39.3Very low122 Ų122143.3 Ų143.379%0.79282%0.824SS**  cis-111.9-138-7.343.8-26.9000108.6
7P46.9Very low39.2Very low128 Ų128149 Ų14983%0.83183%0.829SS**  cis-119.7-173.9-18.239.2-21000113
8G32.2Very low39.4Very low70 Ų70154.4 Ų154.472%0.72283%0.834SS**  cis175.6-162-7.800000112.9
9A34.9Very low39.4Very low95 Ų95149.5 Ų149.579%0.78582%0.824SS**  trans69.172.5168.700000119.3V11A9-V11 PolarHBondContact O-N 3.43Å
10T39Very low39.4Very low149 Ų149145.1 Ų145.191%0.91481%0.814SS**  trans-74.2106.9152.948.90000110.4
11V42.2Very low39.7Very low123 Ų123144.7 Ų144.775%0.74582%0.815SS**  trans-91.3144.7174.6176.60000109.9A9A9-V11 PolarHBondContact O-N 3.43Å
12P40.6Very low40.2Very low115 Ų115137.8 Ų137.875%0.74780%0.795SS**  trans-71.5146.2-164.4-18.132.2000113.8S14P12-S14 PolarHBondContact O-N 3.23Å
13G38.2Very low40.9Very low76 Ų76138 Ų13878%0.78479%0.791SS**  trans-59.9106.7170.300000111.2R15G13-R15 VanDerWaalsContact C-N 3.31Å; G13-R15 PolarHBondContact O-N 3.34Å
14S35.4Very low41.1Very low111 Ų111134.6 Ų134.678%0.77678%0.78SS**  trans-68.889.2172.147.70000109.4P12 R16P12-S14 PolarHBondContact O-N 3.23Å; S14-R16 PolarHBondContact O-N 3.44Å
15R41.2Very low41.2Very low241 Ų241132.6 Ų132.691%0.90978%0.776SS**  trans-56.394.9156.5-85.7-175.3174.6173.7-0.6106.9G13 R17G13-R15 VanDerWaalsContact C-N 3.31Å; G13-R15 PolarHBondContact O-N 3.34Å; R15-R17 PolarHBondContact O-N 3.45Å
16R39.5Very low41.8Very low240 Ų240135.7 Ų135.791%0.90678%0.776SS**  trans-58.389.3158.5-100.2-174.7169-173.6-1.9105.8S14 R18S14-R16 PolarHBondContact O-N 3.44Å; R16-R18 PolarHBondContact O-N 3.31Å
17R38.3Very low41.1Very low240 Ų240134.6 Ų134.691%0.90677%0.769SS**  trans-62.491.6165.6-166.2179.8-166.9-174.83.4103.8R15 G19R15-R17 PolarHBondContact O-N 3.45Å; R17-G19 PolarHBondContact O-N 3.37Å
18R41.8Very low41Very low247 Ų247136.2 Ų136.293%0.93277%0.765SS**  trans-6581.4171.1-163.3177.6-168.2177.22.4104.7R16 G20R16-R18 PolarHBondContact O-N 3.31Å; R18-G20 PolarHBondContact O-N 3.33Å
19G39.4Very low42Very low61 Ų61140 Ų14063%0.62976%0.758SS**  trans-66.879166.800000105.4R17 T21R17-G19 PolarHBondContact O-N 3.37Å; G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.88Å
20G39.9Very low43.2Very low61 Ų61137.4 Ų137.463%0.62973%0.734SS**  trans-52.9109.4153.100000104.5R18 A22R18-G20 PolarHBondContact O-N 3.33Å; G20-A22 PolarHBondContact O-N 3.33Å
21T46.1Very low44.4Very low136 Ų136135.3 Ų135.383%0.83472%0.717SS**  trans-58.285.815837.50000104.9G19 L23G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.88Å; T21-L23 PolarHBondContact O-N 3.24Å
22A44.6Very low45.7Very low89 Ų89132.2 Ų132.274%0.73670%0.704SS**  trans-59.398.6172.800000105G20G20-A22 PolarHBondContact O-N 3.33Å
23L48.3Very low47.2Very low137 Ų137126.8 Ų126.872%0.71767%0.669SS**  trans-45.9114.2-178.1-170.276.9000106.2T21 K25T21-L23 PolarHBondContact O-N 3.24Å; L23-K25 PolarHBondContact O-N 2.76Å
24P42.1Very low49.1Very low84 Ų84123.6 Ų123.655%0.54564%0.635SS.*  trans-59.9115.6-163.519.3-31.2000108.3Q26P24-Q26 PolarHBondContact O-N 2.88Å; P24-Q26 VanDerWaalsContact O-N 3.12Å
25K39.3Very low51.5Low176 Ų176123.3 Ų123.377%0.76562%0.624SS**  trans-39.1118.1-173.2-126.9170.4-178.6176.10109L23 P27L23-K25 PolarHBondContact O-N 2.76Å; K25-P27 VanDerWaalsContact O-CD 3.28Å; K25-P27 WeakPolarHBondContact O-CD 3.19Å
26Q50.5Low53.7Low148 Ų148112.8 Ų112.869%0.69259%0.587SS**G310 helixtrans-63.9-17.9-173.6-73.7-156.64.100117.6P24 E28 R29P24-Q26 PolarHBondContact O-N 2.88Å; P24-Q26 VanDerWaalsContact O-N 3.12Å; Q26-E28 VanDerWaalsContact C-N 3.29Å; Q26-E28 PolarHBondContact O-N 3Å; Q26-E28 VanDerWaalsContact O-N 3.17Å; Q26-R29 PolarHBondContact O-N 2.99Å
27P42.7Very low56Low99 Ų99101.4 Ų101.464%0.64354%0.544SS*.G310 helixtrans-72-11.6-170.927.6-35000115.9K25K25-P27 VanDerWaalsContact O-CD 3.28Å; K25-P27 WeakPolarHBondContact O-CD 3.19Å
28E44.9Very low58.5Low162 Ų16291.4 Ų91.476%0.75751%0.513SS*.G310 helixtrans-81.5-14.1178.9-64.2-172.9159.500113.6Q26 S30Q26-E28 VanDerWaalsContact C-N 3.29Å; Q26-E28 PolarHBondContact O-N 3Å; Q26-E28 VanDerWaalsContact O-N 3.17Å; E28-S30 PolarHBondContact O-N 3.41Å
29R53.6Low61Low150 Ų15084.8 Ų84.857%0.56650%0.496SS*.THydrogen-bonded Turntrans-80.2-2.5-166-79.1-174.4171.4-175-3.2117Q26 R197Q26-R29 PolarHBondContact O-N 2.99Å; R29-R197 PolarHBondContact O-NE 3.28Å; R29-R197 PolarHBondContact O-NH1 2.03Å; R29-R197 PolarHBondContact O-NH2 2.85Å
30S59.4Low63.6Low40 Ų4081.9 Ų81.928%0.2847%0.466SS..THydrogen-bonded Turntrans-109.1-46.5174.4-173.50000113.2E28 A32 S33 A34 D114 R197E28-S30 PolarHBondContact O-N 3.41Å; S30-A32 VanDerWaalsContact C-N 3.34Å; S30-A32 PolarHBondContact O-N 2.86Å; S30-S33 PolarHBondContact O-N 3.26Å; S30-S33 PolarHBondContact O-OG 2.71Å; S30-A34 PolarHBondContact O-N 2.79Å; S30-D114 PolarHBondContact OG-O 2.71Å; S30-R197 VanDerWaalsContact C-NH2 3.28Å; S30-R197 PolarHBondContact O-NH2 3.04Å
31L64.3Low66.2Low105 Ų10579.9 Ų79.955%0.5544%0.441SS..Hα-helixtrans-49.7-42.5-169.8-65.6175.3000115.7S33 A34 L35L31-S33 VanDerWaalsContact C-N 3.28Å; L31-S33 PolarHBondContact O-N 2.8Å; L31-A34 PolarHBondContact O-N 2.74Å; L31-L35 HydrophobicContact CB-CD1 4.31Å; L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.37Å; L31-L35 PolarHBondContact O-N 3.09Å
32A70Confident68.5Low59 Ų5977.1 Ų77.149%0.48842%0.423SS..Hα-helixtrans-64-22.8-173.800000115.7S30 P36 A193S30-A32 VanDerWaalsContact C-N 3.34Å; S30-A32 PolarHBondContact O-N 2.86Å; A32-P36 WeakPolarHBondContact O-CD 3.41Å; A32-A193 WeakPolarHBondContact O-CB 3.5Å
33S70.9Confident71Confident0 Ų073.6 Ų73.60%039%0.394CS..Hα-helixtrans-103.8-33.9171680000112.5S30 L31 L35 P36 G37 N194 R197S30-S33 PolarHBondContact O-N 3.26Å; S30-S33 PolarHBondContact O-OG 2.71Å; L31-S33 VanDerWaalsContact C-N 3.28Å; L31-S33 PolarHBondContact O-N 2.8Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 3.01Å; S33-P36 WeakPolarHBondContact O-CD 3.28Å; S33-G37 PolarHBondContact O-N 2.99Å; S33-G37 VanDerWaalsContact O-N 3.1Å; S33-N194 WeakPolarHBondContact CB-OD1 3.49Å; S33-N194 PolarHBondContact OG-OD1 2.98Å; S33-R197 VanDerWaalsContact CB-NH1 3.35Å; S33-R197 PolarHBondContact OG-NH1 3.27Å
34A78.4Confident73.2Confident9 Ų967.2 Ų67.27%0.07436%0.361CS..Hα-helixtrans-62.4-37.2178.600000112.1S30 L31 G37 A38 F111 V115S30-A34 PolarHBondContact O-N 2.79Å; L31-A34 PolarHBondContact O-N 2.74Å; A34-G37 PolarHBondContact O-N 3.49Å; A34-A38 VanDerWaalsContact O-CB 3.29Å; A34-A38 WeakPolarHBondContact O-CB 3.5Å; A34-A38 PolarHBondContact O-N 2.9Å; A34-F111 HydrophobicContact CB-CD2 4.4Å; A34-F111 HydrophobicContact CB-CE2 3.96Å; A34-F111 WeakPolarHBondContact O-CE2 3.39Å; A34-V115 HydrophobicContact CB-CG2 4.35Å
35L86.9Confident75.7Confident105 Ų10566 Ų6655%0.5535%0.354SS..Hα-helixtrans-66.5-52.5179.9-71.8170.3000112.8L31 S33 G37 A38 L39L31-L35 HydrophobicContact CB-CD1 4.31Å; L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.37Å; L31-L35 PolarHBondContact O-N 3.09Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 3.01Å; L35-G37 VanDerWaalsContact C-N 3.31Å; L35-G37 PolarHBondContact O-N 3.48Å; L35-A38 PolarHBondContact O-N 2.69Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 2.77Å
36P86.8Confident78.4Confident20 Ų2060.6 Ų60.613%0.1334%0.336CS..Hα-helixtrans-61.7-35.9173.2-22.732.9000113.4A32 S33 L39 S40 A186 L189 A190A32-P36 WeakPolarHBondContact O-CD 3.41Å; S33-P36 WeakPolarHBondContact O-CD 3.28Å; P36-L39 PolarHBondContact O-N 2.94Å; P36-S40 PolarHBondContact O-N 3.06Å; P36-A186 WeakPolarHBondContact CB-O 3.27Å; P36-A186 WeakPolarHBondContact O-CB 3.44Å; P36-L189 HydrophobicContact CB-CB 3.99Å; P36-L189 HydrophobicContact CG-CB 4.19Å; P36-A190 HydrophobicContact CB-CB 4.06Å
37G87.4Confident80.5Confident1 Ų153.6 Ų53.61%0.0130%0.303CS..Hα-helixtrans-61.4-46.7173.900000113.1S33 A34 L35 S40 I41S33-G37 PolarHBondContact O-N 2.99Å; S33-G37 VanDerWaalsContact O-N 3.1Å; A34-G37 PolarHBondContact O-N 3.49Å; L35-G37 VanDerWaalsContact C-N 3.31Å; L35-G37 PolarHBondContact O-N 3.48Å; G37-S40 WeakPolarHBondContact O-CB 3.45Å; G37-S40 PolarHBondContact O-N 3.24Å; G37-I41 WeakPolarHBondContact O-CG1 3.41Å; G37-I41 PolarHBondContact O-N 3.05Å; G37-I41 VanDerWaalsContact O-N 3.08Å
38A91.3Very high82.8Confident30 Ų3049.9 Ų49.925%0.24828%0.278CS..Hα-helixtrans-62.6-42.3175.700000112.3A34 L35 S40 I41 T42 F111A34-A38 VanDerWaalsContact O-CB 3.29Å; A34-A38 WeakPolarHBondContact O-CB 3.5Å; A34-A38 PolarHBondContact O-N 2.9Å; L35-A38 PolarHBondContact O-N 2.69Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.45Å; A38-I41 PolarHBondContact O-N 3.18Å; A38-T42 VanDerWaalsContact O-CG2 3.32Å; A38-T42 WeakPolarHBondContact O-CG2 3.19Å; A38-T42 PolarHBondContact O-N 2.75Å; A38-T42 PolarHBondContact O-OG1 2.91Å; A38-F111 HydrophobicContact CB-CD2 4.27Å; A38-F111 HydrophobicContact CB-CE2 3.84Å; A38-F111 HydrophobicContact CB-CZ 4.49Å
39L93.4Very high85Confident109 Ų10945.9 Ų45.957%0.57127%0.272SS*.Hα-helixtrans-59.6-44.6174.9-73.1171.4000111.3L35 P36 I41 T42 A43 A186L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 2.77Å; P36-L39 PolarHBondContact O-N 2.94Å; L39-I41 PolarHBondContact O-N 2.86Å; L39-T42 WeakPolarHBondContact CA-OG1 3.45Å; L39-T42 PolarHBondContact O-N 2.91Å; L39-T42 PolarHBondContact O-OG1 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.44Å; L39-A43 PolarHBondContact O-N 2.72Å; L39-A186 HydrophobicContact CB-CB 4.33Å
40S94.4Very high86.8Confident0 Ų042.6 Ų42.60%026%0.263CS..Hα-helixtrans-58.4-48.2175.9-172.80000112.4P36 G37 A38 T42 A43 L44 A183 S187P36-S40 PolarHBondContact O-N 3.06Å; G37-S40 WeakPolarHBondContact O-CB 3.45Å; G37-S40 PolarHBondContact O-N 3.24Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.45Å; S40-T42 PolarHBondContact O-N 3.12Å; S40-A43 PolarHBondContact O-N 2.89Å; S40-L44 WeakPolarHBondContact O-CG 3.3Å; S40-L44 PolarHBondContact O-N 2.99Å; S40-A183 PolarHBondContact OG-O 2.88Å; S40-S187 WeakPolarHBondContact CB-OG 3.28Å; S40-S187 PolarHBondContact OG-OG 3.4Å
41I94.3Very high87.9Confident19 Ų1942.9 Ų42.910%0.09726%0.264CS..Hα-helixtrans-57.4-50.3175.8-64158.2000110.7G37 A38 L39 A43 L44 C45 S107 L108 F111G37-I41 WeakPolarHBondContact O-CG1 3.41Å; G37-I41 PolarHBondContact O-N 3.05Å; G37-I41 VanDerWaalsContact O-N 3.08Å; A38-I41 PolarHBondContact O-N 3.18Å; L39-I41 PolarHBondContact O-N 2.86Å; I41-A43 VanDerWaalsContact C-N 3.35Å; I41-A43 PolarHBondContact O-N 3.38Å; I41-L44 PolarHBondContact O-N 2.69Å; I41-C45 PolarHBondContact O-N 3.32Å; I41-C45 PolarHBondContact O-SG 2.88Å; I41-C45 VanDerWaalsContact O-SG 3.32Å; I41-S107 VanDerWaalsContact CG1-CB 3.44Å; I41-L108 HydrophobicContact CD1-CD2 4.06Å; I41-L108 HydrophobicContact CD1-CG 4.42Å; I41-L108 HydrophobicContact CG2-CD2 4.09Å; I41-L108 HydrophobicContact CG2-CG 4.32Å; I41-F111 HydrophobicContact CD1-CB 3.63Å; I41-F111 HydrophobicContact CD1-CD1 4.44Å; I41-F111 HydrophobicContact CD1-CG 3.97Å
42T95.6Very high89.1Confident77 Ų7738.1 Ų38.147%0.47224%0.24SC..Hα-helixtrans-62.4-41.9-178.159.60000111.8A38 L39 S40 C45 T46A38-T42 VanDerWaalsContact O-CG2 3.32Å; A38-T42 WeakPolarHBondContact O-CG2 3.19Å; A38-T42 PolarHBondContact O-N 2.75Å; A38-T42 PolarHBondContact O-OG1 2.91Å; L39-T42 WeakPolarHBondContact CA-OG1 3.45Å; L39-T42 PolarHBondContact O-N 2.91Å; L39-T42 PolarHBondContact O-OG1 3.25Å; S40-T42 PolarHBondContact O-N 3.12Å; T42-C45 PolarHBondContact O-N 3.17Å; T42-T46 PolarHBondContact O-N 2.94Å; T42-T46 PolarHBondContact O-OG1 3.04Å
43A95.9Very high90.2Very high15 Ų1535.6 Ų35.612%0.12422%0.218CC..Hα-helixtrans-65.9-39.8178.600000112.6L39 S40 I41 T46 A47 L179 A183L39-A43 WeakPolarHBondContact O-CB 3.44Å; L39-A43 PolarHBondContact O-N 2.72Å; S40-A43 PolarHBondContact O-N 2.89Å; I41-A43 VanDerWaalsContact C-N 3.35Å; I41-A43 PolarHBondContact O-N 3.38Å; A43-T46 PolarHBondContact O-N 2.9Å; A43-A47 WeakPolarHBondContact O-CB 3.16Å; A43-A47 PolarHBondContact O-N 3.47Å; A43-L179 HydrophobicContact CB-CD2 4.37Å; A43-A183 HydrophobicContact CB-CB 3.96Å
44L95.1Very high91.3Very high3 Ų335.9 Ų35.92%0.01622%0.22CC..Hα-helixtrans-65-41.7173.5-69.2173.4000112.3S40 I41 A47 L48 I104 T136 V180 A183S40-L44 WeakPolarHBondContact O-CG 3.3Å; S40-L44 PolarHBondContact O-N 2.99Å; I41-L44 PolarHBondContact O-N 2.69Å; L44-A47 PolarHBondContact O-N 3.33Å; L44-L48 PolarHBondContact O-N 3.41Å; L44-L48 VanDerWaalsContact O-N 3.15Å; L44-I104 HydrophobicContact CB-CD1 4.09Å; L44-I104 HydrophobicContact CB-CG1 3.56Å; L44-I104 HydrophobicContact CD1-CG1 4.22Å; L44-T136 HydrophobicContact CD1-CG2 4.39Å; L44-V180 HydrophobicContact CD2-CG2 4.28Å; L44-A183 HydrophobicContact CD2-CB 3.85Å; L44-A183 HydrophobicContact CG-CB 3.72Å
45C95.1Very high91.9Very high58 Ų5839.7 Ų39.739%0.39223%0.232SC..Hα-helixtrans-62.3-45.7175-70.80000111.8I41 T42 L48 A49I41-C45 PolarHBondContact O-N 3.32Å; I41-C45 PolarHBondContact O-SG 2.88Å; I41-C45 VanDerWaalsContact O-SG 3.32Å; T42-C45 PolarHBondContact O-N 3.17Å; C45-L48 PolarHBondContact O-N 3.37Å; C45-A49 PolarHBondContact O-N 3.32Å; C45-A49 VanDerWaalsContact O-N 3.09Å
46T94.9Very high92.1Very high64 Ų6434.9 Ų34.939%0.39321%0.207SC..Hα-helixtrans-64.7-40.4176.9-55.30000111.4T42 A43 L48 A49 E50 L179T42-T46 PolarHBondContact O-N 2.94Å; T42-T46 PolarHBondContact O-OG1 3.04Å; A43-T46 PolarHBondContact O-N 2.9Å; T46-L48 VanDerWaalsContact C-N 3.3Å; T46-L48 PolarHBondContact O-N 3.35Å; T46-A49 PolarHBondContact O-N 3.2Å; T46-E50 HydrophobicContact CG2-CG 4.16Å; T46-E50 WeakPolarHBondContact O-CB 3.31Å; T46-E50 WeakPolarHBondContact O-CG 3.38Å; T46-E50 PolarHBondContact O-N 2.95Å; T46-L179 HydrophobicContact CG2-CD1 3.61Å
47A94.5Very high92.2Very high0 Ų036.2 Ų36.20%021%0.211CC..Hα-helixtrans-59.2-40176.500000112.5A43 L44 W53 S176 L179 V180A43-A47 WeakPolarHBondContact O-CB 3.16Å; A43-A47 PolarHBondContact O-N 3.47Å; L44-A47 PolarHBondContact O-N 3.33Å; A47-W53 HydrophobicContact CB-CH2 4.34Å; A47-W53 HydrophobicContact CB-CZ2 4.09Å; A47-W53 WeakPolarHBondContact O-CZ2 3.4Å; A47-W53 PolarHBondContact O-NE1 3.25Å; A47-S176 WeakPolarHBondContact O-CB 3.43Å; A47-S176 PolarHBondContact O-OG 2.94Å; A47-L179 HydrophobicContact CB-CB 3.89Å; A47-L179 HydrophobicContact CB-CD1 4.46Å; A47-V180 HydrophobicContact CB-CG2 3.86Å
48L91.9Very high92.1Very high22 Ų2238.7 Ų38.712%0.11524%0.237CC..Hα-helixtrans-70.2-34.3175.6-80.8-179.9000113.6L44 C45 T46 W53 V68 A97 C100 F101 I104L44-L48 PolarHBondContact O-N 3.41Å; L44-L48 VanDerWaalsContact O-N 3.15Å; C45-L48 PolarHBondContact O-N 3.37Å; T46-L48 VanDerWaalsContact C-N 3.3Å; T46-L48 PolarHBondContact O-N 3.35Å; L48-W53 HydrophobicContact CD2-CZ2 4.44Å; L48-V68 HydrophobicContact CD2-CG1 3.97Å; L48-V68 HydrophobicContact CD2-CG2 4.43Å; L48-A97 HydrophobicContact CD2-CB 4.31Å; L48-C100 HydrophobicContact CD1-CB 3.91Å; L48-C100 HydrophobicContact CD2-CB 3.65Å; L48-C100 HydrophobicContact CG-CB 3.75Å; L48-F101 HydrophobicContact CD1-CD1 3.7Å; L48-F101 HydrophobicContact CD1-CD2 4.29Å; L48-F101 HydrophobicContact CD1-CE1 3.65Å; L48-F101 HydrophobicContact CD1-CE2 4.24Å; L48-F101 HydrophobicContact CD1-CG 4.02Å; L48-F101 HydrophobicContact CD1-CZ 3.92Å; L48-I104 HydrophobicContact CD1-CD1 3.51Å
49A91.8Very high91.6Very high78 Ų7838.1 Ų38.165%0.64523%0.234SC*.Hα-helixtrans-74.1-34.6178.400000112.5C45 T46C45-A49 PolarHBondContact O-N 3.32Å; C45-A49 VanDerWaalsContact O-N 3.09Å; T46-A49 PolarHBondContact O-N 3.2Å
50E89.6Confident91Very high81 Ų8134.6 Ų34.638%0.37922%0.217SC..  trans-75.8125.7-179.5-79.3-65.9159.600112.2T46 A52 W53 I175 S176T46-E50 HydrophobicContact CG2-CG 4.16Å; T46-E50 WeakPolarHBondContact O-CB 3.31Å; T46-E50 WeakPolarHBondContact O-CG 3.38Å; T46-E50 PolarHBondContact O-N 2.95Å; E50-A52 PolarHBondContact O-N 2.99Å; E50-W53 VanDerWaalsContact O-CD1 3.24Å; E50-W53 PolarHBondContact O-NE1 3.31Å; E50-W53 VanDerWaalsContact O-NE1 3.13Å; E50-I175 HydrophobicContact CB-CG2 4.09Å; E50-I175 HydrophobicContact CG-CG2 4.03Å; E50-S176 WeakPolarHBondContact CB-OG 3.48Å; E50-S176 PolarHBondContact O-OG 2.75Å
51P83Confident90.6Very high45 Ų4535.4 Ų35.429%0.29222%0.223SC..SBendtrans-72.5-16.1175.931.3-35.8000112.7W53 L66 G67 A69P51-W53 PolarHBondContact O-N 3.21Å; P51-W53 VanDerWaalsContact O-N 3.07Å; P51-L66 CarbonylContact O-C 3.18Å; P51-G67 VanDerWaalsContact O-CA 3.26Å; P51-G67 WeakPolarHBondContact O-CA 3.32Å; P51-G67 PolarHBondContact O-N 2.93Å; P51-G67 VanDerWaalsContact O-N 3.17Å; P51-A69 HydrophobicContact CB-CB 4.16Å
52A90.3Very high89.9Confident5 Ų538.5 Ų38.54%0.04124%0.244CC..  trans-86.576.3-173.600000112.6E50 E65 A174 I175 S176E50-A52 PolarHBondContact O-N 2.99Å; A52-E65 HydrophobicContact CB-CB 4.45Å; A52-A174 HydrophobicContact CB-CB 4.01Å; A52-A174 CarbonylContact O-C 3.31Å; A52-A174 VanDerWaalsContact O-C 3.31Å; A52-A174 WeakPolarHBondContact O-CB 3.25Å; A52-I175 HydrophobicContact CB-CG2 4.15Å; A52-I175 PolarHBondContact O-N 3.36Å; A52-I175 VanDerWaalsContact O-N 3.07Å; A52-S176 PolarHBondContact O-N 3.05Å; A52-S176 VanDerWaalsContact O-N 3.08Å; A52-S176 PolarHBondContact O-OG 3.37Å
53W92.7Very high89.3Confident7 Ų740.2 Ų40.23%0.02724%0.242CC..SBendtrans-89.9-47.8172.9-73.465.1000112.2A47 L48 E50 P51 L66 V68 I96 V143 A174 S176 V180A47-W53 HydrophobicContact CB-CH2 4.34Å; A47-W53 HydrophobicContact CB-CZ2 4.09Å; A47-W53 WeakPolarHBondContact O-CZ2 3.4Å; A47-W53 PolarHBondContact O-NE1 3.25Å; L48-W53 HydrophobicContact CD2-CZ2 4.44Å; E50-W53 VanDerWaalsContact O-CD1 3.24Å; E50-W53 PolarHBondContact O-NE1 3.31Å; E50-W53 VanDerWaalsContact O-NE1 3.13Å; P51-W53 PolarHBondContact O-N 3.21Å; P51-W53 VanDerWaalsContact O-N 3.07Å; W53-L66 WeakPolarHBondContact CB-O 3.46Å; W53-L66 PolarHBondContact N-O 3.45Å; W53-V68 HydrophobicContact CD2-CG2 4.07Å; W53-V68 VanDerWaalsContact CE2-CG2 3.48Å; W53-V68 HydrophobicContact CH2-CG2 4.41Å; W53-V68 HydrophobicContact CZ2-CG2 3.68Å; W53-I96 HydrophobicContact CE3-CG2 4.04Å; W53-I96 HydrophobicContact CH2-CG2 3.74Å; W53-I96 HydrophobicContact CZ3-CG2 3.45Å; W53-I96 VanDerWaalsContact CZ3-CG2 3.45Å; W53-V143 HydrophobicContact CZ3-CG1 4.1Å; W53-A174 PolarHBondContact O-N 2.87Å; W53-S176 VanDerWaalsContact CD1-CB 3.48Å; W53-S176 PolarHBondContact NE1-OG 3.37Å; W53-V180 HydrophobicContact CH2-CG2 3.82Å; W53-V180 HydrophobicContact CZ3-CG2 4.07Å
54V93Very high88.9Confident6 Ų645.9 Ų45.94%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-130.4133.2-177.5178.50000108.3E65 L66 I154 V171V54-E65 WeakPolarHBondContact O-CA 3.4Å; V54-L66 PolarHBondContact N-O 2.89Å; V54-L66 PolarHBondContact O-N 3.17Å; V54-I154 HydrophobicContact CG1-CD1 4.14Å; V54-V171 HydrophobicContact CG1-CG1 3.19Å
55R92.6Very high88.6Confident88 Ų8848.9 Ų48.933%0.33228%0.279SS..EExtended strand (participates in β ladder)trans-113.1120.9175.5-172.4-176.5-62.8136.6-4.1110.6Q64 E65 T172 A174R55-Q64 CarbonylContact C-O 3.46Å; R55-Q64 WeakPolarHBondContact CA-O 3.16Å; R55-Q64 WeakPolarHBondContact CG-O 3.37Å; R55-E65 HydrophobicContact CB-CG 4.42Å; R55-E65 HydrophobicContact CG-CG 4.11Å; R55-E65 IonicContact CZ-OE1 2.66Å; R55-E65 IonicContact NE-OE1 3.16Å; R55-E65 PolarHBondContact NE-OE1 3.4Å; R55-E65 IonicContact NH2-OE1 2.65Å; R55-E65 PolarHBondContact NH2-OE1 3.15Å; R55-T172 PolarHBondContact N-O 3.06Å; R55-T172 PolarHBondContact O-N 3.5Å; R55-T172 PolarHBondContact O-OG1 3.21Å; R55-A174 HydrophobicContact CB-CB 4.38Å
56V90.9Very high88.3Confident4 Ų446.1 Ų46.12%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-95.8129.3179.4-175.10000109.1Q64 L66 I154 Q158 V171V56-Q64 PolarHBondContact N-O 3.05Å; V56-L66 HydrophobicContact CG2-CD1 3.87Å; V56-I154 HydrophobicContact CG2-CG2 3.65Å; V56-Q158 HydrophobicContact CG1-CG 4.44Å; V56-V171 HydrophobicContact CG2-CG2 4.43Å
57H89.1Confident88Confident48 Ų4843.1 Ų43.122%0.22224%0.243CC..EExtended strand (participates in β ladder)trans-113.4127.1178-60.3-93.1000110.4I169 Y170 T172H57-I169 WeakPolarHBondContact O-CA 3.32Å; H57-Y170 HydrophobicContact CB-CD1 3.85Å; H57-Y170 HydrophobicContact CB-CD2 4.17Å; H57-Y170 HydrophobicContact CB-CE1 3.45Å; H57-Y170 VanDerWaalsContact CB-CE1 3.45Å; H57-Y170 HydrophobicContact CB-CE2 3.79Å; H57-Y170 HydrophobicContact CB-CG 4.19Å; H57-Y170 VanDerWaalsContact CB-CZ 3.4Å; H57-Y170 AromaticContact CD2-CD2 3.76Å; H57-Y170 AromaticContact CD2-CE2 3.31Å; H57-Y170 WeakPolarHBondContact CD2-CE2 3.46Å; H57-Y170 AromaticContact CD2-CZ 3.78Å; H57-Y170 AromaticContact CG-CE2 3.5Å; H57-Y170 AromaticContact CG-CZ 3.44Å; H57-Y170 VanDerWaalsContact CG-CZ 3.44Å; H57-Y170 PolarHBondContact N-O 3.45Å; H57-Y170 AromaticContact ND1-CZ 3.95Å; H57-Y170 AromaticContact NE2-CE2 3.89Å; H57-Y170 PolarHBondContact O-N 2.94Å; H57-T172 PolarHBondContact CD2-OG1 3.25Å; H57-T172 PolarHBondContact NE2-OG1 3.47Å
58G84.4Confident87.6Confident53 Ų5343.1 Ų43.155%0.54624%0.243SC..SBendtrans77.4-158.4-17400000113
59G80.8Confident87.3Confident18 Ų1844.5 Ų44.519%0.18626%0.257CS..SBendtrans81.8-159.317600000115.4Q158G59-Q158 VanDerWaalsContact CA-OE1 3.24Å
60T81.4Confident87Confident36 Ų3641.2 Ų41.222%0.22123%0.229CC..SBendtrans-94.3-21.4176.848.50000113.1D82 Q158 H161 K163T60-D82 WeakPolarHBondContact CB-O 3.37Å; T60-D82 PolarHBondContact OG1-O 3.4Å; T60-Q158 PolarHBondContact OG1-NE2 3.25Å; T60-Q158 PolarHBondContact OG1-OE1 2.99Å; T60-H161 WeakPolarHBondContact CG2-O 3.2Å; T60-K163 HydrophobicContact CG2-CB 3.83Å; T60-K163 HydrophobicContact CG2-CG 4.34Å
61C84.8Confident86.8Confident17 Ų1737.4 Ų37.412%0.11521%0.211CC..  trans-64.9124.9-166.1-1730000113R63 C84C61-R63 VanDerWaalsContact C-N 3.26Å; C61-R63 PolarHBondContact O-N 2.87Å; C61-R63 PolarHBondContact SG-O 3.48Å; C61-C84 WeakPolarHBondContact CA-SG 3.29Å; C61-C84 HydrophobicContact CB-CB 3.97Å; C61-C84 WeakPolarHBondContact CB-SG 3.42Å; C61-C84 WeakPolarHBondContact SG-CB 3.38Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 3.01Å
62P81.2Confident86.8Confident84 Ų8439.9 Ų39.955%0.54522%0.221SC..SBendtrans-69.5-21.1178.227.9-38.4000113.6D82P62-D82 VanDerWaalsContact CD-OD2 3.28Å; P62-D82 WeakPolarHBondContact CD-OD2 3.08Å; P62-D82 HydrophobicContact CG-CB 4.43Å; P62-D82 WeakPolarHBondContact CG-OD2 3.28Å
63R83.3Confident86.3Confident113 Ų11341.9 Ų41.943%0.42624%0.242SC..  trans-109.8115.2-176.2-153.7179.3-171.7162.2-6.2110.4C61 E65 L66 D70 L79C61-R63 VanDerWaalsContact C-N 3.26Å; C61-R63 PolarHBondContact O-N 2.87Å; C61-R63 PolarHBondContact SG-O 3.48Å; R63-E65 VanDerWaalsContact C-N 3.34Å; R63-E65 WeakPolarHBondContact CD-O 3.49Å; R63-E65 WeakPolarHBondContact CG-O 3.23Å; R63-L66 HydrophobicContact CB-CD2 4.42Å; R63-D70 IonicContact CZ-OD1 3.12Å; R63-D70 IonicContact NE-OD1 3.79Å; R63-D70 IonicContact NH1-OD1 3.98Å; R63-D70 PolarHBondContact NH1-OD1 2.85Å; R63-D70 IonicContact NH2-OD1 3.56Å; R63-L79 HydrophobicContact CB-CD1 4.37Å
64Q86.1Confident85.8Confident134 Ų13450.5 Ų50.563%0.62628%0.276SS*.SBendtrans-74-25.6-177.7-68.7-179.5-0.400113.1R55 V56R55-Q64 CarbonylContact C-O 3.46Å; R55-Q64 WeakPolarHBondContact CA-O 3.16Å; R55-Q64 WeakPolarHBondContact CG-O 3.37Å; V56-Q64 PolarHBondContact N-O 3.05Å
65E89.9Confident85.4Confident65 Ų6552.2 Ų52.230%0.30429%0.285SS..EExtended strand (participates in β ladder)trans-117.9131.4-179.2-60.1-170.4150.900110.1A52 V54 R55 R63A52-E65 HydrophobicContact CB-CB 4.45Å; V54-E65 WeakPolarHBondContact O-CA 3.4Å; R55-E65 HydrophobicContact CB-CG 4.42Å; R55-E65 HydrophobicContact CG-CG 4.11Å; R55-E65 IonicContact CZ-OE1 2.66Å; R55-E65 IonicContact NE-OE1 3.16Å; R55-E65 PolarHBondContact NE-OE1 3.4Å; R55-E65 IonicContact NH2-OE1 2.65Å; R55-E65 PolarHBondContact NH2-OE1 3.15Å; R63-E65 VanDerWaalsContact C-N 3.34Å; R63-E65 WeakPolarHBondContact CD-O 3.49Å; R63-E65 WeakPolarHBondContact CG-O 3.23Å
66L89.2Confident85Confident0 Ų050.8 Ų50.80%028%0.284CS..EExtended strand (participates in β ladder)trans-130141.5-176.6-60.2172.7000109.2P51 W53 V54 V56 R63 L79 M85 I154P51-L66 CarbonylContact O-C 3.18Å; W53-L66 WeakPolarHBondContact CB-O 3.46Å; W53-L66 PolarHBondContact N-O 3.45Å; V54-L66 PolarHBondContact N-O 2.89Å; V54-L66 PolarHBondContact O-N 3.17Å; V56-L66 HydrophobicContact CG2-CD1 3.87Å; R63-L66 HydrophobicContact CB-CD2 4.42Å; L66-L79 HydrophobicContact CD2-CD2 3.84Å; L66-L79 HydrophobicContact CD2-CG 4.26Å; L66-M85 HydrophobicContact CD1-CG 4.08Å; L66-M85 HydrophobicContact CD1-SD 4.36Å; L66-M85 HydrophobicContact CD2-SD 4.13Å; L66-I154 HydrophobicContact CD1-CD1 4.23Å
67G87.4Confident84.6Confident1 Ų152.9 Ų52.91%0.0130%0.297CS..  trans-171.9-158.4176.300000115.4P51 A69 D70P51-G67 VanDerWaalsContact O-CA 3.26Å; P51-G67 WeakPolarHBondContact O-CA 3.32Å; P51-G67 PolarHBondContact O-N 2.93Å; P51-G67 VanDerWaalsContact O-N 3.17Å; G67-A69 VanDerWaalsContact C-N 3.31Å; G67-A69 PolarHBondContact O-N 2.83Å; G67-D70 PolarHBondContact N-OD2 3.33Å; G67-D70 PolarHBondContact O-N 3.41Å
68V87Confident84.4Confident1 Ų156.1 Ų56.11%0.00631%0.311CS..THydrogen-bonded Turntrans-63.7-34.8-170.2169.10000112.9L48 W53 D70 V71 L72 I93 I96 A97L48-V68 HydrophobicContact CD2-CG1 3.97Å; L48-V68 HydrophobicContact CD2-CG2 4.43Å; W53-V68 HydrophobicContact CD2-CG2 4.07Å; W53-V68 VanDerWaalsContact CE2-CG2 3.48Å; W53-V68 HydrophobicContact CH2-CG2 4.41Å; W53-V68 HydrophobicContact CZ2-CG2 3.68Å; V68-D70 VanDerWaalsContact C-N 3.25Å; V68-D70 PolarHBondContact O-N 2.98Å; V68-V71 WeakPolarHBondContact O-CG2 3.29Å; V68-V71 PolarHBondContact O-N 3.21Å; V68-L72 HydrophobicContact CG1-CD1 3.39Å; V68-L72 HydrophobicContact CG1-CG 3.81Å; V68-L72 PolarHBondContact O-N 3.23Å; V68-L72 VanDerWaalsContact O-N 3.13Å; V68-I93 HydrophobicContact CB-CG2 4.46Å; V68-I93 HydrophobicContact CG2-CG2 3.85Å; V68-I96 HydrophobicContact CG2-CG2 4.44Å; V68-A97 HydrophobicContact CB-CB 4.49Å; V68-A97 HydrophobicContact CG1-CB 3.56Å; V68-A97 HydrophobicContact CG2-CB 4.08Å
69A85.4Confident84.5Confident50 Ų5053.9 Ų53.941%0.41329%0.286SS..Hα-helixtrans-58.6-35.2176.700000113P51 G67 V71 G73P51-A69 HydrophobicContact CB-CB 4.16Å; G67-A69 VanDerWaalsContact C-N 3.31Å; G67-A69 PolarHBondContact O-N 2.83Å; A69-V71 VanDerWaalsContact C-N 3.26Å; A69-V71 PolarHBondContact O-N 3.28Å; A69-G73 PolarHBondContact O-N 2.94Å
70D84.4Confident84.7Confident10 Ų1057 Ų575%0.05330%0.297CS..Hα-helixtrans-73.3-15.3-176.9-56.8-62.7000113.8R63 G67 V68 L79R63-D70 IonicContact CZ-OD1 3.12Å; R63-D70 IonicContact NE-OD1 3.79Å; R63-D70 IonicContact NH1-OD1 3.98Å; R63-D70 PolarHBondContact NH1-OD1 2.85Å; R63-D70 IonicContact NH2-OD1 3.56Å; G67-D70 PolarHBondContact N-OD2 3.33Å; G67-D70 PolarHBondContact O-N 3.41Å; V68-D70 VanDerWaalsContact C-N 3.25Å; V68-D70 PolarHBondContact O-N 2.98Å; D70-L79 HydrophobicContact CB-CD2 4.2Å
71V86.1Confident84.9Confident1 Ų161.8 Ų61.81%0.00632%0.317CS..Hα-helixtrans-118.4-19-175.2-59.20000114.7V68 A69 M85 I90 I93 R94V68-V71 WeakPolarHBondContact O-CG2 3.29Å; V68-V71 PolarHBondContact O-N 3.21Å; A69-V71 VanDerWaalsContact C-N 3.26Å; A69-V71 PolarHBondContact O-N 3.28Å; V71-M85 HydrophobicContact CG1-CE 3.71Å; V71-I90 HydrophobicContact CB-CG2 4.2Å; V71-I90 HydrophobicContact CG1-CB 4.3Å; V71-I90 HydrophobicContact CG1-CG1 4.24Å; V71-I90 HydrophobicContact CG1-CG2 3.99Å; V71-I93 HydrophobicContact CG1-CB 4.36Å; V71-I93 HydrophobicContact CG1-CG2 4.41Å; V71-I93 HydrophobicContact CG2-CB 3.92Å; V71-I93 HydrophobicContact CG2-CG2 3.48Å; V71-I93 VanDerWaalsContact CG2-CG2 3.48Å; V71-R94 HydrophobicContact CB-CG 4.06Å; V71-R94 HydrophobicContact CG2-CG 3.89Å; V71-R94 VanDerWaalsContact O-CZ 3.32Å; V71-R94 PolarHBondContact O-NE 3.47Å; V71-R94 PolarHBondContact O-NH2 3.32Å
72L83.9Confident84.9Confident97 Ų9763.9 Ų63.951%0.50833%0.327SS..Hα-helixtrans-84-30.5172.4-68.6-176000112.7V68 A97 F101V68-L72 HydrophobicContact CG1-CD1 3.39Å; V68-L72 HydrophobicContact CG1-CG 3.81Å; V68-L72 PolarHBondContact O-N 3.23Å; V68-L72 VanDerWaalsContact O-N 3.13Å; L72-A97 HydrophobicContact CD1-CB 4.25Å; L72-A97 HydrophobicContact CD2-CB 4.21Å; L72-A97 HydrophobicContact CG-CB 4.43Å; L72-F101 HydrophobicContact CD1-CE2 4.15Å
73G79.5Confident85.1Confident47 Ų4765.2 Ų65.249%0.48532%0.322SS..SBendtrans-93.5-148.6179.400000113.7A69 I75A69-G73 PolarHBondContact O-N 2.94Å; G73-I75 PolarHBondContact O-N 2.86Å
74Y81.8Confident85.2Confident188 Ų18859.9 Ų59.974%0.73730%0.302SS*.  trans-69.2118.8168.6177.8-99.7000109.8D76 P77Y74-D76 PolarHBondContact O-N 3.32Å; Y74-P77 WeakPolarHBondContact OH-CD 3.44Å
75I83.9Confident85.4Confident42 Ų4253.8 Ų53.822%0.21527%0.273CS..  trans-76.9113.6172.1-57.4171.1000107.1G73 P77 M80 I90G73-I75 PolarHBondContact O-N 2.86Å; I75-P77 WeakPolarHBondContact O-CD 3.4Å; I75-M80 HydrophobicContact CG2-CE 3.96Å; I75-I90 HydrophobicContact CD1-CD1 4.43Å; I75-I90 HydrophobicContact CD1-CG2 4.05Å; I75-I90 HydrophobicContact CG2-CD1 4.49Å
76D83.6Confident85.4Confident58 Ų5854.5 Ų54.531%0.3128%0.279SS..  trans-61.8120.9173-172.7-23.2000108.9Y74 K78 L79Y74-D76 PolarHBondContact O-N 3.32Å; D76-K78 PolarHBondContact O-N 2.84Å; D76-K78 VanDerWaalsContact O-N 3.08Å; D76-K78 VanDerWaalsContact OD1-CB 3.31Å; D76-K78 WeakPolarHBondContact OD1-CB 3.09Å; D76-K78 WeakPolarHBondContact OD1-CG 3.38Å; D76-K78 PolarHBondContact OD1-N 3.48Å; D76-L79 HydrophobicContact CB-CD1 4.42Å; D76-L79 WeakPolarHBondContact O-CB 3.38Å; D76-L79 PolarHBondContact O-N 3.03Å
77P84.4Confident85.5Confident47 Ų4758.1 Ų58.131%0.30530%0.304SS..THydrogen-bonded Turntrans-55.9-27.9179.822-33.6000112.5Y74 I75 L79 M80 E81Y74-P77 WeakPolarHBondContact OH-CD 3.44Å; I75-P77 WeakPolarHBondContact O-CD 3.4Å; P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.26Å; P77-M80 PolarHBondContact O-N 2.85Å; P77-E81 PolarHBondContact O-N 3.22Å
78K84.6Confident85.8Confident116 Ų11663.6 Ų63.650%0.50433%0.33SS..Hα-helixtrans-60.7-30.5177-64.3173.4-178.5172.60113.4D76 M80 E81 D82D76-K78 PolarHBondContact O-N 2.84Å; D76-K78 VanDerWaalsContact O-N 3.08Å; D76-K78 VanDerWaalsContact OD1-CB 3.31Å; D76-K78 WeakPolarHBondContact OD1-CB 3.09Å; D76-K78 WeakPolarHBondContact OD1-CG 3.38Å; D76-K78 PolarHBondContact OD1-N 3.48Å; K78-M80 PolarHBondContact O-N 2.8Å; K78-E81 PolarHBondContact O-N 2.64Å; K78-D82 VanDerWaalsContact O-CB 3.3Å; K78-D82 WeakPolarHBondContact O-CB 3.22Å; K78-D82 PolarHBondContact O-N 3.01Å
79L85.4Confident86Confident6 Ų663.6 Ų63.63%0.03133%0.33CS..Hα-helixtrans-64.2-26.3175.1-100.361.1000112.3R63 L66 D70 D76 P77 C84 M85R63-L79 HydrophobicContact CB-CD1 4.37Å; L66-L79 HydrophobicContact CD2-CD2 3.84Å; L66-L79 HydrophobicContact CD2-CG 4.26Å; D70-L79 HydrophobicContact CB-CD2 4.2Å; D76-L79 HydrophobicContact CB-CD1 4.42Å; D76-L79 WeakPolarHBondContact O-CB 3.38Å; D76-L79 PolarHBondContact O-N 3.03Å; P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.26Å; L79-C84 HydrophobicContact CB-CB 4.28Å; L79-C84 HydrophobicContact CG-CB 4.02Å; L79-C84 WeakPolarHBondContact O-CA 3.37Å; L79-C84 VanDerWaalsContact O-CB 3.24Å; L79-C84 WeakPolarHBondContact O-CB 3.23Å; L79-C84 PolarHBondContact O-N 2.82Å; L79-M85 HydrophobicContact CD2-SD 3.84Å; L79-M85 PolarHBondContact O-N 3.11Å
80M85.7Confident86.3Confident85 Ų8561.8 Ų61.842%0.41931%0.313SS..Hα-helixtrans-91.3-40.1175.1-65.6180-70.300111.5I75 P77 K78 Y83 I90I75-M80 HydrophobicContact CG2-CE 3.96Å; P77-M80 PolarHBondContact O-N 2.85Å; K78-M80 PolarHBondContact O-N 2.8Å; M80-Y83 PolarHBondContact O-N 3.1Å; M80-I90 HydrophobicContact CG-CD1 4.33Å; M80-I90 HydrophobicContact SD-CD1 4.07Å
81E85.1Confident86.7Confident136 Ų13666 Ų6664%0.63634%0.335SS*.Hα-helixtrans-65.4-41.9178.1-67.6174.4179.200112.8P77 K78 Y83P77-E81 PolarHBondContact O-N 3.22Å; K78-E81 PolarHBondContact O-N 2.64Å; E81-Y83 PolarHBondContact O-N 3.04Å
82D84.8Confident87.1Confident61 Ų6166.8 Ų66.833%0.32634%0.339SS..THydrogen-bonded Turntrans-83.69.9177.2-68-43.2000113.3T60 P62 K78 C84T60-D82 WeakPolarHBondContact CB-O 3.37Å; T60-D82 PolarHBondContact OG1-O 3.4Å; P62-D82 VanDerWaalsContact CD-OD2 3.28Å; P62-D82 WeakPolarHBondContact CD-OD2 3.08Å; P62-D82 HydrophobicContact CG-CB 4.43Å; P62-D82 WeakPolarHBondContact CG-OD2 3.28Å; K78-D82 VanDerWaalsContact O-CB 3.3Å; K78-D82 WeakPolarHBondContact O-CB 3.22Å; K78-D82 PolarHBondContact O-N 3.01Å; D82-C84 VanDerWaalsContact C-N 3.27Å; D82-C84 PolarHBondContact O-N 2.93Å
83Y84.9Confident87.5Confident112 Ų11262.5 Ų62.544%0.43932%0.317SS..THydrogen-bonded Turntrans57.927.7-179.6-52.4-82.1000115M80 E81 M85 L157 Q158 H161M80-Y83 PolarHBondContact O-N 3.1Å; E81-Y83 PolarHBondContact O-N 3.04Å; Y83-M85 VanDerWaalsContact C-N 3.34Å; Y83-L157 WeakPolarHBondContact O-CD2 3.41Å; Y83-L157 WeakPolarHBondContact O-CG 3.32Å; Y83-Q158 VanDerWaalsContact C-NE2 3.34Å; Y83-Q158 PolarHBondContact O-NE2 3.07Å; Y83-H161 AromaticContact CD1-CE1 3.62Å; Y83-H161 AromaticContact CD1-CG 3.96Å; Y83-H161 AromaticContact CD1-ND1 3.7Å; Y83-H161 AromaticContact CD1-NE2 3.84Å; Y83-H161 HydrophobicContact CD2-CB 4.1Å; Y83-H161 AromaticContact CD2-CG 3.85Å; Y83-H161 AromaticContact CD2-ND1 3.5Å; Y83-H161 AromaticContact CE1-CE1 3.36Å; Y83-H161 WeakPolarHBondContact CE1-CE1 3.24Å; Y83-H161 AromaticContact CE1-ND1 3.68Å; Y83-H161 AromaticContact CE1-NE2 3.93Å; Y83-H161 AromaticContact CE2-CE1 3.97Å; Y83-H161 AromaticContact CE2-ND1 3.47Å; Y83-H161 WeakPolarHBondContact CE2-ND1 3.27Å; Y83-H161 HydrophobicContact CG-CB 4.1Å; Y83-H161 AromaticContact CG-CG 3.68Å; Y83-H161 AromaticContact CG-ND1 3.62Å; Y83-H161 AromaticContact CZ-CE1 3.56Å; Y83-H161 AromaticContact CZ-ND1 3.56Å
84C86.6Confident88.1Confident0 Ų065.9 Ų65.90%032%0.315CS..SBendtrans-63.9-41.5173-61.10000111.8C61 L79 D82C61-C84 WeakPolarHBondContact CA-SG 3.29Å; C61-C84 HydrophobicContact CB-CB 3.97Å; C61-C84 WeakPolarHBondContact CB-SG 3.42Å; C61-C84 WeakPolarHBondContact SG-CB 3.38Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 3.01Å; L79-C84 HydrophobicContact CB-CB 4.28Å; L79-C84 HydrophobicContact CG-CB 4.02Å; L79-C84 WeakPolarHBondContact O-CA 3.37Å; L79-C84 VanDerWaalsContact O-CB 3.24Å; L79-C84 WeakPolarHBondContact O-CB 3.23Å; L79-C84 PolarHBondContact O-N 2.82Å; D82-C84 VanDerWaalsContact C-N 3.27Å; D82-C84 PolarHBondContact O-N 2.93Å
85M89Confident88.8Confident7 Ų759.2 Ų59.23%0.03429%0.293CS..  trans-141.9142.7-171.4-65.3-175.466.700111.4L66 V71 L79 Y83 T89 I90 I93L66-M85 HydrophobicContact CD1-CG 4.08Å; L66-M85 HydrophobicContact CD1-SD 4.36Å; L66-M85 HydrophobicContact CD2-SD 4.13Å; V71-M85 HydrophobicContact CG1-CE 3.71Å; L79-M85 HydrophobicContact CD2-SD 3.84Å; L79-M85 PolarHBondContact O-N 3.11Å; Y83-M85 VanDerWaalsContact C-N 3.34Å; M85-T89 HydrophobicContact CE-CG2 4.04Å; M85-I90 HydrophobicContact CB-CG1 4.34Å; M85-I90 HydrophobicContact CE-CG1 3.77Å; M85-I93 HydrophobicContact CE-CD1 3.64Å
86N90.8Very high89.3Confident79 Ų7957.3 Ų57.342%0.42228%0.284SS..  trans-105.6159.9171.1-172.1-0.4000109.6Q88 T89 I90 L157N86-Q88 PolarHBondContact O-N 3.26Å; N86-Q88 VanDerWaalsContact O-N 3.09Å; N86-T89 WeakPolarHBondContact O-CA 3.49Å; N86-T89 WeakPolarHBondContact O-CB 3.27Å; N86-T89 PolarHBondContact O-N 3.38Å; N86-I90 PolarHBondContact O-N 2.88Å; N86-L157 HydrophobicContact CB-CD2 4.09Å
87S91.3Very high89.7Confident76 Ų7654.6 Ų54.653%0.53127%0.269SS..Hα-helixtrans-51-33.7176-55.20000113.4L91S87-L91 WeakPolarHBondContact O-CB 3.33Å; S87-L91 PolarHBondContact O-N 3.4Å
88Q92.9Very high90.2Very high116 Ų11655.1 Ų55.154%0.54228%0.277SS..Hα-helixtrans-66.4-44.9174.3-64.2-60.7-48.900112.2N86 L91 L92 L153N86-Q88 PolarHBondContact O-N 3.26Å; N86-Q88 VanDerWaalsContact O-N 3.09Å; Q88-L91 PolarHBondContact O-N 3.23Å; Q88-L92 PolarHBondContact O-N 3.47Å; Q88-L153 HydrophobicContact CB-CD2 3.66Å
89T92Very high90.7Very high1 Ų153 Ų531%0.00627%0.268CS..Hα-helixtrans-62.9-42.5174.9-430000111.3M85 N86 L91 L92 I93 A150 I154M85-T89 HydrophobicContact CE-CG2 4.04Å; N86-T89 WeakPolarHBondContact O-CA 3.49Å; N86-T89 WeakPolarHBondContact O-CB 3.27Å; N86-T89 PolarHBondContact O-N 3.38Å; T89-L91 VanDerWaalsContact C-N 3.31Å; T89-L91 PolarHBondContact O-N 3.44Å; T89-L92 PolarHBondContact O-N 3.37Å; T89-I93 HydrophobicContact CG2-CD1 4.18Å; T89-I93 WeakPolarHBondContact O-CG1 3.38Å; T89-I93 PolarHBondContact O-N 2.9Å; T89-A150 HydrophobicContact CG2-CB 4.49Å; T89-I154 HydrophobicContact CG2-CD1 3.82Å; T89-I154 HydrophobicContact CG2-CG1 3.59Å
90I91.9Very high91.1Very high13 Ų1352.8 Ų52.87%0.06727%0.268CS..Hα-helixtrans-59.5-43.8176.3-65.9167.1000110.5V71 I75 M80 M85 N86 I93 R94V71-I90 HydrophobicContact CB-CG2 4.2Å; V71-I90 HydrophobicContact CG1-CB 4.3Å; V71-I90 HydrophobicContact CG1-CG1 4.24Å; V71-I90 HydrophobicContact CG1-CG2 3.99Å; I75-I90 HydrophobicContact CD1-CD1 4.43Å; I75-I90 HydrophobicContact CD1-CG2 4.05Å; I75-I90 HydrophobicContact CG2-CD1 4.49Å; M80-I90 HydrophobicContact CG-CD1 4.33Å; M80-I90 HydrophobicContact SD-CD1 4.07Å; M85-I90 HydrophobicContact CB-CG1 4.34Å; M85-I90 HydrophobicContact CE-CG1 3.77Å; N86-I90 PolarHBondContact O-N 2.88Å; I90-I93 PolarHBondContact O-N 2.91Å; I90-R94 WeakPolarHBondContact O-CG 3.49Å; I90-R94 PolarHBondContact O-N 3.09Å
91L93Very high91.5Very high97 Ų9753.9 Ų53.951%0.50827%0.27SS..Hα-helixtrans-63.7-46.4176.1-171.2153.6000111.5S87 Q88 T89 I93 R94 V95S87-L91 WeakPolarHBondContact O-CB 3.33Å; S87-L91 PolarHBondContact O-N 3.4Å; Q88-L91 PolarHBondContact O-N 3.23Å; T89-L91 VanDerWaalsContact C-N 3.31Å; T89-L91 PolarHBondContact O-N 3.44Å; L91-I93 PolarHBondContact O-N 3.31Å; L91-R94 PolarHBondContact O-N 3.34Å; L91-V95 HydrophobicContact CD2-CG2 3.91Å; L91-V95 WeakPolarHBondContact O-CG2 3.28Å; L91-V95 PolarHBondContact O-N 2.99Å
92L93.6Very high91.9Very high18 Ų1852 Ų529%0.09426%0.264CS..Hα-helixtrans-58.8-43.3177.3-75177.3000112.4Q88 T89 V95 I96 F146 W149 A150 L153Q88-L92 PolarHBondContact O-N 3.47Å; T89-L92 PolarHBondContact O-N 3.37Å; L92-V95 PolarHBondContact O-N 3.33Å; L92-I96 WeakPolarHBondContact O-CG1 3.37Å; L92-I96 PolarHBondContact O-N 3.43Å; L92-F146 HydrophobicContact CD2-CD1 4.35Å; L92-W149 HydrophobicContact CD1-CB 4.47Å; L92-W149 HydrophobicContact CD1-CD2 4.34Å; L92-W149 HydrophobicContact CD1-CG 4.17Å; L92-W149 HydrophobicContact CD2-CE3 4.39Å; L92-A150 HydrophobicContact CB-CB 4.43Å; L92-A150 HydrophobicContact CD1-CB 4.39Å; L92-L153 HydrophobicContact CD1-CD1 4.48Å; L92-L153 HydrophobicContact CD1-CD2 4.15Å
93I92.1Very high92.2Very high7 Ų749.1 Ų49.14%0.03625%0.249CC..Hα-helixtrans-70.7-32.1179.5-61.2173.4000111.5V68 V71 M85 T89 I90 L91 I96 A97 A150V68-I93 HydrophobicContact CB-CG2 4.46Å; V68-I93 HydrophobicContact CG2-CG2 3.85Å; V71-I93 HydrophobicContact CG1-CB 4.36Å; V71-I93 HydrophobicContact CG1-CG2 4.41Å; V71-I93 HydrophobicContact CG2-CB 3.92Å; V71-I93 HydrophobicContact CG2-CG2 3.48Å; V71-I93 VanDerWaalsContact CG2-CG2 3.48Å; M85-I93 HydrophobicContact CE-CD1 3.64Å; T89-I93 HydrophobicContact CG2-CD1 4.18Å; T89-I93 WeakPolarHBondContact O-CG1 3.38Å; T89-I93 PolarHBondContact O-N 2.9Å; I90-I93 PolarHBondContact O-N 2.91Å; L91-I93 PolarHBondContact O-N 3.31Å; I93-I96 HydrophobicContact CG1-CD1 4.49Å; I93-I96 WeakPolarHBondContact O-CB 3.41Å; I93-I96 PolarHBondContact O-N 3.46Å; I93-A97 WeakPolarHBondContact O-CB 3.5Å; I93-A97 PolarHBondContact O-N 2.89Å; I93-A150 HydrophobicContact CG1-CB 4.46Å
94R93.7Very high92.6Very high119 Ų11944.7 Ų44.745%0.44923%0.233SC..Hα-helixtrans-65.8-39.2169.7-74.6175.2170.8-175.4-4.3112.6V71 I90 L91 A97 A98V71-R94 HydrophobicContact CB-CG 4.06Å; V71-R94 HydrophobicContact CG2-CG 3.89Å; V71-R94 VanDerWaalsContact O-CZ 3.32Å; V71-R94 PolarHBondContact O-NE 3.47Å; V71-R94 PolarHBondContact O-NH2 3.32Å; I90-R94 WeakPolarHBondContact O-CG 3.49Å; I90-R94 PolarHBondContact O-N 3.09Å; L91-R94 PolarHBondContact O-N 3.34Å; R94-A97 PolarHBondContact O-N 2.82Å; R94-A98 PolarHBondContact O-N 3.11Å
95V94.8Very high92.9Very high47 Ų4749.9 Ų49.929%0.28526%0.26SS..Hα-helixtrans-64.1-46.3173.7169.70000110.4L91 L92 A97 A98 F99 F146L91-V95 HydrophobicContact CD2-CG2 3.91Å; L91-V95 WeakPolarHBondContact O-CG2 3.28Å; L91-V95 PolarHBondContact O-N 2.99Å; L92-V95 PolarHBondContact O-N 3.33Å; V95-A97 VanDerWaalsContact C-N 3.33Å; V95-A97 PolarHBondContact O-N 2.88Å; V95-A98 PolarHBondContact O-N 2.99Å; V95-F99 HydrophobicContact CG1-CD2 3.67Å; V95-F99 HydrophobicContact CG1-CE2 3.7Å; V95-F99 WeakPolarHBondContact O-CD2 3.42Å; V95-F99 PolarHBondContact O-N 3.34Å; V95-F146 HydrophobicContact CG1-CD2 4.29Å; V95-F146 HydrophobicContact CG1-CE2 4.04Å; V95-F146 HydrophobicContact CG1-CZ 4.45Å
96I94.4Very high92.9Very high3 Ų350.5 Ų50.52%0.01526%0.264CS..Hα-helixtrans-52.5-50.2172.3-75159.8000110.8W53 V68 L92 I93 A98 F99 C100 V143 F146W53-I96 HydrophobicContact CE3-CG2 4.04Å; W53-I96 HydrophobicContact CH2-CG2 3.74Å; W53-I96 HydrophobicContact CZ3-CG2 3.45Å; W53-I96 VanDerWaalsContact CZ3-CG2 3.45Å; V68-I96 HydrophobicContact CG2-CG2 4.44Å; L92-I96 WeakPolarHBondContact O-CG1 3.37Å; L92-I96 PolarHBondContact O-N 3.43Å; I93-I96 HydrophobicContact CG1-CD1 4.49Å; I93-I96 WeakPolarHBondContact O-CB 3.41Å; I93-I96 PolarHBondContact O-N 3.46Å; I96-A98 PolarHBondContact O-N 3.39Å; I96-F99 PolarHBondContact O-N 3.05Å; I96-C100 PolarHBondContact O-N 3.33Å; I96-C100 PolarHBondContact O-SG 3.46Å; I96-V143 HydrophobicContact CG2-CG1 3.95Å; I96-F146 HydrophobicContact CD1-CB 3.82Å; I96-F146 HydrophobicContact CG1-CB 3.55Å; I96-F146 HydrophobicContact CG1-CG 4.48Å
97A93.9Very high92.9Very high0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-58.7-46.417900000112.2L48 V68 L72 I93 R94 V95 F99 C100 F101L48-A97 HydrophobicContact CD2-CB 4.31Å; V68-A97 HydrophobicContact CB-CB 4.49Å; V68-A97 HydrophobicContact CG1-CB 3.56Å; V68-A97 HydrophobicContact CG2-CB 4.08Å; L72-A97 HydrophobicContact CD1-CB 4.25Å; L72-A97 HydrophobicContact CD2-CB 4.21Å; L72-A97 HydrophobicContact CG-CB 4.43Å; I93-A97 WeakPolarHBondContact O-CB 3.5Å; I93-A97 PolarHBondContact O-N 2.89Å; R94-A97 PolarHBondContact O-N 2.82Å; V95-A97 VanDerWaalsContact C-N 3.33Å; V95-A97 PolarHBondContact O-N 2.88Å; A97-F99 PolarHBondContact O-N 3.33Å; A97-C100 PolarHBondContact O-N 2.96Å; A97-C100 VanDerWaalsContact O-N 3.17Å; A97-F101 WeakPolarHBondContact O-CD2 3.41Å; A97-F101 PolarHBondContact O-N 3.11Å
98A94.4Very high92.9Very high58 Ų5846.4 Ų46.448%0.47924%0.236SC..Hα-helixtrans-61.4-41.317700000112.4R94 V95 I96 F101 L102R94-A98 PolarHBondContact O-N 3.11Å; V95-A98 PolarHBondContact O-N 2.99Å; I96-A98 PolarHBondContact O-N 3.39Å; A98-F101 PolarHBondContact O-N 3.31Å; A98-L102 WeakPolarHBondContact O-CB 3.37Å; A98-L102 PolarHBondContact O-N 3Å
99F94.4Very high92.5Very high72 Ų7244.5 Ų44.532%0.31623%0.233SC..Hα-helixtrans-65.1-38.9172.8-86.8-78.7000112.1V95 I96 A97 L102 G103 Q139 V143 F146V95-F99 HydrophobicContact CG1-CD2 3.67Å; V95-F99 HydrophobicContact CG1-CE2 3.7Å; V95-F99 WeakPolarHBondContact O-CD2 3.42Å; V95-F99 PolarHBondContact O-N 3.34Å; I96-F99 PolarHBondContact O-N 3.05Å; A97-F99 PolarHBondContact O-N 3.33Å; F99-L102 PolarHBondContact O-N 2.88Å; F99-G103 PolarHBondContact O-N 2.91Å; F99-Q139 HydrophobicContact CD1-CG 4.21Å; F99-Q139 PolarHBondContact O-NE2 3.17Å; F99-V143 HydrophobicContact CB-CG2 3.66Å; F99-F146 HydrophobicContact CD2-CD2 4.48Å; F99-F146 AromaticContact CD2-CE2 3.97Å; F99-F146 HydrophobicContact CD2-CE2 3.97Å; F99-F146 AromaticContact CE2-CE2 3.78Å; F99-F146 HydrophobicContact CE2-CE2 3.78Å; F99-F146 HydrophobicContact CE2-CZ 4.48Å; F99-F146 HydrophobicContact CZ-CE2 4.45Å
100C94Very high92.2Very high2 Ų244.6 Ų44.61%0.01423%0.234CC..Hα-helixtrans-65-41.8175.1-72.10000112.5L48 I96 A97 G103 I104L48-C100 HydrophobicContact CD1-CB 3.91Å; L48-C100 HydrophobicContact CD2-CB 3.65Å; L48-C100 HydrophobicContact CG-CB 3.75Å; I96-C100 PolarHBondContact O-N 3.33Å; I96-C100 PolarHBondContact O-SG 3.46Å; A97-C100 PolarHBondContact O-N 2.96Å; A97-C100 VanDerWaalsContact O-N 3.17Å; C100-G103 PolarHBondContact O-N 3.24Å; C100-I104 WeakPolarHBondContact O-CG1 3.44Å; C100-I104 PolarHBondContact O-N 3.29Å
101F94.4Very high91.8Very high107 Ų10746.6 Ų46.647%0.46924%0.242SC..Hα-helixtrans-60.8-45.7173.5-76-63.5000112.3L48 L72 A97 A98 G103 I104 L105L48-F101 HydrophobicContact CD1-CD1 3.7Å; L48-F101 HydrophobicContact CD1-CD2 4.29Å; L48-F101 HydrophobicContact CD1-CE1 3.65Å; L48-F101 HydrophobicContact CD1-CE2 4.24Å; L48-F101 HydrophobicContact CD1-CG 4.02Å; L48-F101 HydrophobicContact CD1-CZ 3.92Å; L72-F101 HydrophobicContact CD1-CE2 4.15Å; A97-F101 WeakPolarHBondContact O-CD2 3.41Å; A97-F101 PolarHBondContact O-N 3.11Å; A98-F101 PolarHBondContact O-N 3.31Å; F101-G103 VanDerWaalsContact C-N 3.27Å; F101-G103 PolarHBondContact O-N 3.08Å; F101-I104 PolarHBondContact O-N 3.44Å; F101-L105 WeakPolarHBondContact O-CG 3.2Å; F101-L105 PolarHBondContact O-N 2.99Å
102L92.9Very high91.3Very high97 Ų9745.9 Ų45.951%0.50824%0.238SC..Hα-helixtrans-62.3-36175.7178.665.2000111.7A98 F99 L105 C106A98-L102 WeakPolarHBondContact O-CB 3.37Å; A98-L102 PolarHBondContact O-N 3Å; F99-L102 PolarHBondContact O-N 2.88Å; L102-L105 PolarHBondContact O-N 3.49Å; L102-C106 WeakPolarHBondContact O-CB 3.47Å; L102-C106 PolarHBondContact O-N 3.03Å
103G91.4Very high90.6Very high1 Ų146.5 Ų46.51%0.0124%0.241CC..Hα-helixtrans-67.3-38.7176.200000112.9F99 C100 F101 C106 S107 Q139F99-G103 PolarHBondContact O-N 2.91Å; C100-G103 PolarHBondContact O-N 3.24Å; F101-G103 VanDerWaalsContact C-N 3.27Å; F101-G103 PolarHBondContact O-N 3.08Å; G103-C106 PolarHBondContact O-N 2.8Å; G103-S107 VanDerWaalsContact O-CB 3.26Å; G103-S107 WeakPolarHBondContact O-CB 3.37Å; G103-S107 PolarHBondContact O-N 2.96Å; G103-S107 PolarHBondContact O-OG 3.33Å; G103-Q139 VanDerWaalsContact CA-CD 3.46Å; G103-Q139 VanDerWaalsContact CA-OE1 3.23Å; G103-Q139 VanDerWaalsContact N-NE2 3.1Å
104I94.2Very high89.8Confident19 Ų1946.6 Ų46.610%0.09724%0.242CC..Hα-helixtrans-62.8-44.9172.3-68.9161.7000110.4L44 L48 C100 F101 S107 L108L44-I104 HydrophobicContact CB-CD1 4.09Å; L44-I104 HydrophobicContact CB-CG1 3.56Å; L44-I104 HydrophobicContact CD1-CG1 4.22Å; L48-I104 HydrophobicContact CD1-CD1 3.51Å; C100-I104 WeakPolarHBondContact O-CG1 3.44Å; C100-I104 PolarHBondContact O-N 3.29Å; F101-I104 PolarHBondContact O-N 3.44Å; I104-S107 PolarHBondContact O-N 3.3Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.27Å; I104-L108 VanDerWaalsContact O-CB 3.29Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 VanDerWaalsContact O-CG 3.23Å; I104-L108 WeakPolarHBondContact O-CG 3.48Å; I104-L108 PolarHBondContact O-N 3.44Å
105L92.5Very high88.9Confident108 Ų10844 Ų4457%0.56524%0.239SC*.Hα-helixtrans-62.9-42176.6-67.4171.5000112.2F101 L102 T109F101-L105 WeakPolarHBondContact O-CG 3.2Å; F101-L105 PolarHBondContact O-N 2.99Å; L102-L105 PolarHBondContact O-N 3.49Å; L105-T109 PolarHBondContact O-N 2.98Å; L105-T109 PolarHBondContact O-OG1 3.08Å
106C89.4Confident87.9Confident20 Ų2049.5 Ų49.514%0.13526%0.26CS..Hα-helixtrans-65.2-44.2175.9-164.20000111.5L102 G103 T109 A110 A132L102-C106 WeakPolarHBondContact O-CB 3.47Å; L102-C106 PolarHBondContact O-N 3.03Å; G103-C106 PolarHBondContact O-N 2.8Å; C106-T109 PolarHBondContact O-N 3.31Å; C106-T109 PolarHBondContact O-OG1 3.29Å; C106-A110 WeakPolarHBondContact O-CB 3.48Å; C106-A110 PolarHBondContact O-N 2.84Å; C106-A132 PolarHBondContact SG-O 2.83Å
107S90.4Very high86.4Confident1 Ų150.9 Ų50.91%0.00728%0.275CS..Hα-helixtrans-66.3-40.2178-56.70000112.5I41 G103 I104 A110 F111 T136I41-S107 VanDerWaalsContact CG1-CB 3.44Å; G103-S107 VanDerWaalsContact O-CB 3.26Å; G103-S107 WeakPolarHBondContact O-CB 3.37Å; G103-S107 PolarHBondContact O-N 2.96Å; G103-S107 PolarHBondContact O-OG 3.33Å; I104-S107 PolarHBondContact O-N 3.3Å; S107-A110 WeakPolarHBondContact O-CB 3.4Å; S107-A110 PolarHBondContact O-N 3.28Å; S107-F111 WeakPolarHBondContact O-CB 3.17Å; S107-F111 PolarHBondContact O-N 3.11Å; S107-T136 VanDerWaalsContact OG-CG2 3.25Å; S107-T136 WeakPolarHBondContact OG-CG2 3.24Å; S107-T136 PolarHBondContact OG-OG1 2.83Å
108L90.2Very high85Confident68 Ų6851.7 Ų51.736%0.35628%0.28SS..Hα-helixtrans-62.2-46.4175-78.8168000111.1I41 I104 A110 F111 L112I41-L108 HydrophobicContact CD1-CD2 4.06Å; I41-L108 HydrophobicContact CD1-CG 4.42Å; I41-L108 HydrophobicContact CG2-CD2 4.09Å; I41-L108 HydrophobicContact CG2-CG 4.32Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.27Å; I104-L108 VanDerWaalsContact O-CB 3.29Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 VanDerWaalsContact O-CG 3.23Å; I104-L108 WeakPolarHBondContact O-CG 3.48Å; I104-L108 PolarHBondContact O-N 3.44Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.13Å; L108-F111 PolarHBondContact O-N 3.21Å; L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 2.85Å
109T85.4Confident83.4Confident76 Ų7658.9 Ų58.947%0.46630%0.3SS..Hα-helixtrans-64.1-38176.350.30000112.1L105 C106 L113L105-T109 PolarHBondContact O-N 2.98Å; L105-T109 PolarHBondContact O-OG1 3.08Å; C106-T109 PolarHBondContact O-N 3.31Å; C106-T109 PolarHBondContact O-OG1 3.29Å; T109-L113 VanDerWaalsContact O-CG 3.27Å; T109-L113 WeakPolarHBondContact O-CG 3.43Å; T109-L113 PolarHBondContact O-N 3.4Å; T109-L113 VanDerWaalsContact O-N 3.15Å
110A84.3Confident82Confident4 Ų461.8 Ų61.83%0.03332%0.315CS..Hα-helixtrans-58.9-52171.500000112.4C106 S107 L108 L112 L113 D114 A132C106-A110 WeakPolarHBondContact O-CB 3.48Å; C106-A110 PolarHBondContact O-N 2.84Å; S107-A110 WeakPolarHBondContact O-CB 3.4Å; S107-A110 PolarHBondContact O-N 3.28Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.13Å; A110-L112 PolarHBondContact O-N 3.28Å; A110-L113 WeakPolarHBondContact O-CB 3.37Å; A110-L113 PolarHBondContact O-N 3.16Å; A110-L113 VanDerWaalsContact O-N 3.17Å; A110-D114 PolarHBondContact O-N 3.47Å; A110-A132 HydrophobicContact CB-CB 3.6Å
111F84.7Confident80.3Confident54 Ų5465.4 Ų65.424%0.23734%0.338CS..Hα-helixtrans-62.2-41.2-179.7176.1-97.4000112.4A34 A38 I41 S107 L108 L113 D114 V115A34-F111 HydrophobicContact CB-CD2 4.4Å; A34-F111 HydrophobicContact CB-CE2 3.96Å; A34-F111 WeakPolarHBondContact O-CE2 3.39Å; A38-F111 HydrophobicContact CB-CD2 4.27Å; A38-F111 HydrophobicContact CB-CE2 3.84Å; A38-F111 HydrophobicContact CB-CZ 4.49Å; I41-F111 HydrophobicContact CD1-CB 3.63Å; I41-F111 HydrophobicContact CD1-CD1 4.44Å; I41-F111 HydrophobicContact CD1-CG 3.97Å; S107-F111 WeakPolarHBondContact O-CB 3.17Å; S107-F111 PolarHBondContact O-N 3.11Å; L108-F111 PolarHBondContact O-N 3.21Å; F111-L113 VanDerWaalsContact C-N 3.3Å; F111-L113 PolarHBondContact O-N 3.31Å; F111-D114 PolarHBondContact O-N 3.31Å; F111-V115 HydrophobicContact CD1-CG2 4.28Å; F111-V115 HydrophobicContact CD2-CG2 4.31Å; F111-V115 HydrophobicContact CE1-CG2 3.86Å; F111-V115 HydrophobicContact CE2-CG2 3.89Å; F111-V115 HydrophobicContact CG-CG2 4.49Å; F111-V115 HydrophobicContact CZ-CG2 3.65Å; F111-V115 WeakPolarHBondContact O-CG2 3.49Å; F111-V115 PolarHBondContact O-N 2.86Å
112L82.9Confident78.5Confident82 Ų8263.4 Ų63.443%0.42934%0.341SS..Hα-helixtrans-62.2-37175.6-69.3169.9000111.9L108 A110 F116L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 2.85Å; A110-L112 PolarHBondContact O-N 3.28Å; L112-F116 HydrophobicContact CB-CD2 4.38Å; L112-F116 HydrophobicContact CD2-CD2 3.85Å; L112-F116 HydrophobicContact CD2-CE2 3.54Å; L112-F116 WeakPolarHBondContact O-CB 3.44Å; L112-F116 WeakPolarHBondContact O-CD2 3.26Å; L112-F116 PolarHBondContact O-N 2.97Å
113L77.8Confident76.9Confident31 Ų3162.3 Ų62.316%0.16234%0.336CS..Hα-helixtrans-70.1-36.2174.7-68.3169000112.7T109 A110 F111 P118 L123 T126 R127T109-L113 VanDerWaalsContact O-CG 3.27Å; T109-L113 WeakPolarHBondContact O-CG 3.43Å; T109-L113 PolarHBondContact O-N 3.4Å; T109-L113 VanDerWaalsContact O-N 3.15Å; A110-L113 WeakPolarHBondContact O-CB 3.37Å; A110-L113 PolarHBondContact O-N 3.16Å; A110-L113 VanDerWaalsContact O-N 3.17Å; F111-L113 VanDerWaalsContact C-N 3.3Å; F111-L113 PolarHBondContact O-N 3.31Å; L113-P118 HydrophobicContact CD2-CB 4.25Å; L113-L123 HydrophobicContact CD2-CB 3.98Å; L113-L123 HydrophobicContact CD2-CD1 4.28Å; L113-L123 HydrophobicContact CD2-CD2 4.2Å; L113-L123 HydrophobicContact CD2-CG 4.39Å; L113-T126 HydrophobicContact CD1-CG2 4.17Å; L113-R127 WeakPolarHBondContact O-CD 3.25Å; L113-R127 PolarHBondContact O-NH1 2.89Å
114D76.4Confident75.5Confident10 Ų1066.1 Ų66.15%0.05335%0.352CS..Hα-helixtrans-68.7-31.3175-76-31000113S30 A110 F111 H133 N194S30-D114 PolarHBondContact OG-O 2.71Å; A110-D114 PolarHBondContact O-N 3.47Å; F111-D114 PolarHBondContact O-N 3.31Å; D114-H133 IonicContact OD2-CD2 3.81Å; D114-H133 IonicContact OD2-CE1 2.64Å; D114-H133 IonicContact OD2-NE2 3.82Å; D114-H133 PolarHBondContact OD2-NE2 2.86Å; D114-N194 PolarHBondContact OD1-ND2 2.91Å; D114-N194 PolarHBondContact OD2-ND2 3.26Å
115V74.6Confident74Confident64 Ų6469.6 Ų69.639%0.38837%0.37SS..Hα-helixtrans-88.6-53.6179.7172.40000112.9A34 F111A34-V115 HydrophobicContact CB-CG2 4.35Å; F111-V115 HydrophobicContact CD1-CG2 4.28Å; F111-V115 HydrophobicContact CD2-CG2 4.31Å; F111-V115 HydrophobicContact CE1-CG2 3.86Å; F111-V115 HydrophobicContact CE2-CG2 3.89Å; F111-V115 HydrophobicContact CG-CG2 4.49Å; F111-V115 HydrophobicContact CZ-CG2 3.65Å; F111-V115 WeakPolarHBondContact O-CG2 3.49Å; F111-V115 PolarHBondContact O-N 2.86Å
116F72.3Confident72.5Confident162 Ų16266.7 Ų66.771%0.71136%0.356SS*.Hα-helixtrans-83.3-18.8-165.9-77.3-72.6000115.3L112L112-F116 HydrophobicContact CB-CD2 4.38Å; L112-F116 HydrophobicContact CD2-CD2 3.85Å; L112-F116 HydrophobicContact CD2-CE2 3.54Å; L112-F116 WeakPolarHBondContact O-CB 3.44Å; L112-F116 WeakPolarHBondContact O-CD2 3.26Å; L112-F116 PolarHBondContact O-N 2.97Å
117G64.6Low71.4Confident32 Ų3268.5 Ų68.533%0.3336%0.36SS..  trans77.2115.8-172.900000111.8K119G117-K119 PolarHBondContact O-N 3.43Å
118P62.9Low70.1Confident18 Ų1872.5 Ų72.512%0.11738%0.375CS..  trans-68.9118.2-178.224.3-31.9000112.4L113 L123 K124 R127L113-P118 HydrophobicContact CD2-CB 4.25Å; P118-L123 HydrophobicContact CB-CB 3.34Å; P118-L123 HydrophobicContact CG-CB 4.5Å; P118-K124 HydrophobicContact CG-CB 4.35Å; P118-K124 HydrophobicContact CG-CG 4.02Å; P118-R127 HydrophobicContact CG-CB 4.44Å
119K62.3Low68.8Low208 Ų20876.4 Ų76.490%0.90439%0.387SS*.SBendtrans-73.8-20.5175.9-65.1-171.9177.9-174.30114.5G117G117-K119 PolarHBondContact O-N 3.43Å
120H65.1Low68.4Low134 Ų13473 Ų7362%0.6237%0.366SS*.SBendtrans-106.3143.8178.6-98.1-80000111.6A122 L123 K124H120-A122 VanDerWaalsContact C-N 3.33Å; H120-A122 PolarHBondContact O-N 3.26Å; H120-L123 HydrophobicContact CB-CD1 4.44Å; H120-L123 HydrophobicContact CB-CG 4.48Å; H120-L123 PolarHBondContact O-N 3.03Å; H120-K124 PolarHBondContact O-N 2.86Å; H120-K124 VanDerWaalsContact O-N 3.11Å
121P58.3Low68.3Low77 Ų7778.1 Ų78.150%0.539%0.387SS..Hα-helixtrans-61.4-36-177.523-33.6000113.5L123 K124 I125P121-L123 PolarHBondContact O-N 3.23Å; P121-K124 WeakPolarHBondContact O-CB 3.49Å; P121-K124 PolarHBondContact O-N 3.26Å; P121-K124 VanDerWaalsContact O-N 3.11Å; P121-I125 PolarHBondContact O-N 3.41Å; P121-I125 VanDerWaalsContact O-N 3.08Å
122A55.2Low68.2Low65 Ų6576 Ų7654%0.53738%0.38SS..Hα-helixtrans-57.9-35.817400000112.6H120 I125 T126H120-A122 VanDerWaalsContact C-N 3.33Å; H120-A122 PolarHBondContact O-N 3.26Å; A122-I125 WeakPolarHBondContact O-CB 3.21Å; A122-T126 PolarHBondContact O-N 3.49Å; A122-T126 PolarHBondContact O-OG1 3.13Å; A122-T126 VanDerWaalsContact O-OG1 3.05Å
123L59.6Low68.4Low74 Ų7472.3 Ų72.339%0.38736%0.361SS..Hα-helixtrans-81.8-26.6178.4-60.8176.8000112.3L113 P118 H120 P121 I125 T126 R127L113-L123 HydrophobicContact CD2-CB 3.98Å; L113-L123 HydrophobicContact CD2-CD1 4.28Å; L113-L123 HydrophobicContact CD2-CD2 4.2Å; L113-L123 HydrophobicContact CD2-CG 4.39Å; P118-L123 HydrophobicContact CB-CB 3.34Å; P118-L123 HydrophobicContact CG-CB 4.5Å; H120-L123 HydrophobicContact CB-CD1 4.44Å; H120-L123 HydrophobicContact CB-CG 4.48Å; H120-L123 PolarHBondContact O-N 3.03Å; P121-L123 PolarHBondContact O-N 3.23Å; L123-I125 VanDerWaalsContact C-N 3.32Å; L123-T126 PolarHBondContact O-N 3.38Å; L123-R127 PolarHBondContact O-N 2.92Å; L123-R127 VanDerWaalsContact O-N 3.11Å
124K63.4Low69Low81 Ų8174 Ų7435%0.35237%0.369SS..Hα-helixtrans-57.7-47.6166.3-72.8-171175-171.70110P118 H120 P121 R127 R128 E205P118-K124 HydrophobicContact CG-CB 4.35Å; P118-K124 HydrophobicContact CG-CG 4.02Å; H120-K124 PolarHBondContact O-N 2.86Å; H120-K124 VanDerWaalsContact O-N 3.11Å; P121-K124 WeakPolarHBondContact O-CB 3.49Å; P121-K124 PolarHBondContact O-N 3.26Å; P121-K124 VanDerWaalsContact O-N 3.11Å; K124-R127 PolarHBondContact O-N 3.17Å; K124-R128 WeakPolarHBondContact O-CB 3.14Å; K124-R128 PolarHBondContact O-N 2.96Å; K124-E205 IonicContact NZ-OE1 2.85Å; K124-E205 IonicContact NZ-OE2 2.83Å; K124-E205 PolarHBondContact NZ-OE2 3.49Å
125I60.8Low69.6Low93 Ų9376.7 Ų76.748%0.47738%0.383SS..Hα-helixtrans-58.8-48.9176.7-75.9163.3000111.5P121 A122 L123 R127 R128 Y129P121-I125 PolarHBondContact O-N 3.41Å; P121-I125 VanDerWaalsContact O-N 3.08Å; A122-I125 WeakPolarHBondContact O-CB 3.21Å; L123-I125 VanDerWaalsContact C-N 3.32Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 3.36Å; I125-R128 PolarHBondContact O-N 2.89Å; I125-R128 VanDerWaalsContact O-N 3.13Å; I125-Y129 HydrophobicContact CG2-CD2 3.95Å; I125-Y129 HydrophobicContact CG2-CE2 3.95Å; I125-Y129 VanDerWaalsContact O-CD2 3.28Å; I125-Y129 WeakPolarHBondContact O-CD2 3.44Å; I125-Y129 PolarHBondContact O-N 3.15Å
126T61.9Low70.4Confident46 Ų4673.7 Ų73.728%0.28237%0.365SS..Hα-helixtrans-58.3-39.3178-47.40000112.7L113 A122 L123L113-T126 HydrophobicContact CD1-CG2 4.17Å; A122-T126 PolarHBondContact O-N 3.49Å; A122-T126 PolarHBondContact O-OG1 3.13Å; A122-T126 VanDerWaalsContact O-OG1 3.05Å; L123-T126 PolarHBondContact O-N 3.38Å
127R66.3Low71.4Confident58 Ų5867.7 Ų67.722%0.21934%0.342CS..Hα-helixtrans-68.3-40.5176.3-162.717187.7165.611.4112.1L113 P118 L123 K124 I125 Y129 A130 Y199L113-R127 WeakPolarHBondContact O-CD 3.25Å; L113-R127 PolarHBondContact O-NH1 2.89Å; P118-R127 HydrophobicContact CG-CB 4.44Å; L123-R127 PolarHBondContact O-N 2.92Å; L123-R127 VanDerWaalsContact O-N 3.11Å; K124-R127 PolarHBondContact O-N 3.17Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 3.36Å; R127-Y129 VanDerWaalsContact C-N 3.34Å; R127-Y129 PolarHBondContact O-N 3.27Å; R127-A130 PolarHBondContact O-N 2.93Å; R127-Y199 VanDerWaalsContact CZ-OH 3.23Å; R127-Y199 PolarHBondContact NE-OH 3.15Å; R127-Y199 PolarHBondContact NH2-OH 3.2Å
128R63.2Low72.9Confident85 Ų8571.3 Ų71.332%0.32135%0.353SS..Hα-helixtrans-65-32.7-177.6-160.3175.9-165150.613.6113.5K124 I125 Y199 P200K124-R128 WeakPolarHBondContact O-CB 3.14Å; K124-R128 PolarHBondContact O-N 2.96Å; I125-R128 PolarHBondContact O-N 2.89Å; I125-R128 VanDerWaalsContact O-N 3.13Å; R128-Y199 HydrophobicContact CG-CG 4.38Å; R128-Y199 PolarHBondContact NH2-O 3.42Å; R128-P200 PolarHBondContact NH2-O 2.99Å
129Y62.8Low74.4Confident151 Ų15171.5 Ų71.559%0.59235%0.352SS*.THydrogen-bonded Turntrans-921.2178.1-68-68.3000114.7I125 R127 F131I125-Y129 HydrophobicContact CG2-CD2 3.95Å; I125-Y129 HydrophobicContact CG2-CE2 3.95Å; I125-Y129 VanDerWaalsContact O-CD2 3.28Å; I125-Y129 WeakPolarHBondContact O-CD2 3.44Å; I125-Y129 PolarHBondContact O-N 3.15Å; R127-Y129 VanDerWaalsContact C-N 3.34Å; R127-Y129 PolarHBondContact O-N 3.27Å; Y129-F131 PolarHBondContact O-N 3.39Å
130A77.6Confident76Confident3 Ų361.8 Ų61.83%0.02531%0.311CS..THydrogen-bonded Turntrans49.925.9-175.300000114.3R127 A132 H133 I134 T191 N194 L195R127-A130 PolarHBondContact O-N 2.93Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 3.36Å; A130-H133 PolarHBondContact O-N 2.9Å; A130-I134 PolarHBondContact O-N 3.4Å; A130-I134 VanDerWaalsContact O-N 3.11Å; A130-T191 HydrophobicContact CB-CG2 3.98Å; A130-N194 HydrophobicContact CB-CB 4.05Å; A130-L195 HydrophobicContact CB-CG 4.47Å
131F82Confident77.5Confident112 Ų11258.4 Ų58.449%0.49131%0.306SS..Hα-helixtrans-59.7-39.5-162.7-179-108.3000113.3Y129 I134 L135Y129-F131 PolarHBondContact O-N 3.39Å; F131-I134 PolarHBondContact O-N 3.05Å; F131-L135 HydrophobicContact CD1-CD1 3.92Å; F131-L135 HydrophobicContact CD1-CG 4.34Å; F131-L135 HydrophobicContact CE1-CD1 3.49Å; F131-L135 VanDerWaalsContact CE1-CD1 3.49Å; F131-L135 HydrophobicContact CE1-CG 4.04Å; F131-L135 HydrophobicContact CZ-CD1 3.99Å; F131-L135 HydrophobicContact CZ-CD2 4.17Å; F131-L135 HydrophobicContact CZ-CG 4.14Å; F131-L135 WeakPolarHBondContact O-CG 3.34Å; F131-L135 PolarHBondContact O-N 3.21Å
132A82.6Confident79.3Confident11 Ų1157.7 Ų57.79%0.09130%0.3CS..Hα-helixtrans-68.8-33.7178.600000113.3C106 A110 A130 T136C106-A132 PolarHBondContact SG-O 2.83Å; A110-A132 HydrophobicContact CB-CB 3.6Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 3.36Å; A132-T136 WeakPolarHBondContact O-CB 3.48Å; A132-T136 PolarHBondContact O-N 2.73Å; A132-T136 PolarHBondContact O-OG1 2.66Å
133H86.8Confident81.2Confident3 Ų354.7 Ų54.71%0.01428%0.275CS..Hα-helixtrans-69.4-39.9172.1-68.4-61.5000110.8D114 A130 T136 V137 T191D114-H133 IonicContact OD2-CD2 3.81Å; D114-H133 IonicContact OD2-CE1 2.64Å; D114-H133 IonicContact OD2-NE2 3.82Å; D114-H133 PolarHBondContact OD2-NE2 2.86Å; A130-H133 PolarHBondContact O-N 2.9Å; H133-T136 WeakPolarHBondContact O-CB 3.43Å; H133-T136 PolarHBondContact O-N 3.05Å; H133-V137 WeakPolarHBondContact O-CG2 3.49Å; H133-V137 PolarHBondContact O-N 3.25Å; H133-T191 WeakPolarHBondContact CB-OG1 3.38Å
134I90.1Very high82.9Confident67 Ų6753.6 Ų53.634%0.34427%0.269SS..Hα-helixtrans-61.4-45.8174.6-64.2168.9000111.2A130 F131 T136 V137 L138 T191A130-I134 PolarHBondContact O-N 3.4Å; A130-I134 VanDerWaalsContact O-N 3.11Å; F131-I134 PolarHBondContact O-N 3.05Å; I134-T136 VanDerWaalsContact C-N 3.29Å; I134-T136 PolarHBondContact O-N 3.17Å; I134-V137 PolarHBondContact O-N 3.4Å; I134-V137 VanDerWaalsContact O-N 3.17Å; I134-L138 WeakPolarHBondContact O-CG 3.4Å; I134-L138 PolarHBondContact O-N 3.18Å; I134-T191 HydrophobicContact CD1-CG2 4.13Å; I134-T191 HydrophobicContact CG1-CG2 3.66Å
135L89.9Confident84.5Confident67 Ų6751.6 Ų51.635%0.35127%0.271SS..Hα-helixtrans-57.6-42.6173.3-74.2-179.8000111.8F131 V137 L138 Q139F131-L135 HydrophobicContact CD1-CD1 3.92Å; F131-L135 HydrophobicContact CD1-CG 4.34Å; F131-L135 HydrophobicContact CE1-CD1 3.49Å; F131-L135 VanDerWaalsContact CE1-CD1 3.49Å; F131-L135 HydrophobicContact CE1-CG 4.04Å; F131-L135 HydrophobicContact CZ-CD1 3.99Å; F131-L135 HydrophobicContact CZ-CD2 4.17Å; F131-L135 HydrophobicContact CZ-CG 4.14Å; F131-L135 WeakPolarHBondContact O-CG 3.34Å; F131-L135 PolarHBondContact O-N 3.21Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 2.91Å; L135-L138 PolarHBondContact O-N 3.02Å; L135-Q139 VanDerWaalsContact O-CB 3.24Å; L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-N 3.36Å
136T90.7Very high86.2Confident1 Ų149.6 Ų49.61%0.00626%0.259CS..Hα-helixtrans-61.6-38.8176.6-56.80000111.9L44 S107 A132 H133 I134 Q139 C140 S187L44-T136 HydrophobicContact CD1-CG2 4.39Å; S107-T136 VanDerWaalsContact OG-CG2 3.25Å; S107-T136 WeakPolarHBondContact OG-CG2 3.24Å; S107-T136 PolarHBondContact OG-OG1 2.83Å; A132-T136 WeakPolarHBondContact O-CB 3.48Å; A132-T136 PolarHBondContact O-N 2.73Å; A132-T136 PolarHBondContact O-OG1 2.66Å; H133-T136 WeakPolarHBondContact O-CB 3.43Å; H133-T136 PolarHBondContact O-N 3.05Å; I134-T136 VanDerWaalsContact C-N 3.29Å; I134-T136 PolarHBondContact O-N 3.17Å; T136-Q139 PolarHBondContact O-N 3.07Å; T136-C140 PolarHBondContact O-N 3.01Å; T136-C140 PolarHBondContact O-SG 2.9Å; T136-S187 WeakPolarHBondContact CG2-OG 3.45Å
137V94.4Very high87.7Confident36 Ų3647.6 Ų47.622%0.21825%0.247CC..Hα-helixtrans-64.4-47.5175.2175.50000111.4H133 I134 L135 Q139 C140 A141 I188H133-V137 WeakPolarHBondContact O-CG2 3.49Å; H133-V137 PolarHBondContact O-N 3.25Å; I134-V137 PolarHBondContact O-N 3.4Å; I134-V137 VanDerWaalsContact O-N 3.17Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 2.91Å; V137-Q139 PolarHBondContact O-N 3.08Å; V137-C140 PolarHBondContact O-N 3.03Å; V137-A141 PolarHBondContact O-N 3.3Å; V137-I188 HydrophobicContact CB-CG1 4.4Å; V137-I188 HydrophobicContact CG1-CD1 4.09Å; V137-I188 HydrophobicContact CG1-CG1 3.83Å; V137-I188 HydrophobicContact CG2-CG1 3.57Å
138L94.4Very high89.1Confident107 Ų10751.3 Ų51.356%0.5626%0.262SS*.Hα-helixtrans-59.3-39.2176.3-66.6174.6000111.4I134 L135 A141 T142I134-L138 WeakPolarHBondContact O-CG 3.4Å; I134-L138 PolarHBondContact O-N 3.18Å; L135-L138 PolarHBondContact O-N 3.02Å; L138-A141 WeakPolarHBondContact O-CB 3.41Å; L138-A141 PolarHBondContact O-N 3.15Å; L138-T142 PolarHBondContact O-N 3.46Å
139Q94.8Very high90.7Very high22 Ų2254.3 Ų54.310%0.10327%0.274CS..Hα-helixtrans-70-37.1177.7-177.8158.727.100113.6F99 G103 L135 T136 V137 A141 T142 V143F99-Q139 HydrophobicContact CD1-CG 4.21Å; F99-Q139 PolarHBondContact O-NE2 3.17Å; G103-Q139 VanDerWaalsContact CA-CD 3.46Å; G103-Q139 VanDerWaalsContact CA-OE1 3.23Å; G103-Q139 VanDerWaalsContact N-NE2 3.1Å; L135-Q139 VanDerWaalsContact O-CB 3.24Å; L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-N 3.36Å; T136-Q139 PolarHBondContact O-N 3.07Å; V137-Q139 PolarHBondContact O-N 3.08Å; Q139-A141 VanDerWaalsContact C-N 3.3Å; Q139-T142 PolarHBondContact O-N 3.35Å; Q139-T142 PolarHBondContact O-OG1 2.78Å; Q139-V143 WeakPolarHBondContact O-CG2 3.11Å; Q139-V143 PolarHBondContact O-N 3.4Å
140C95.4Very high92.2Very high5 Ų547.1 Ų47.13%0.03425%0.246CC..Hα-helixtrans-63.8-39.4170.9-66.40000110.6T136 V137 V143 I144 V180T136-C140 PolarHBondContact O-N 3.01Å; T136-C140 PolarHBondContact O-SG 2.9Å; V137-C140 PolarHBondContact O-N 3.03Å; C140-V143 PolarHBondContact O-N 3.47Å; C140-I144 WeakPolarHBondContact O-CB 3.46Å; C140-I144 WeakPolarHBondContact O-CD1 3.39Å; C140-I144 VanDerWaalsContact O-CG1 3.23Å; C140-I144 WeakPolarHBondContact O-CG1 3.41Å; C140-I144 PolarHBondContact O-N 3.2Å; C140-V180 HydrophobicContact CB-CG1 4.1Å
141A96.7Very high92.9Very high62 Ų6247.3 Ų47.351%0.51225%0.247SC..Hα-helixtrans-64.9-40.9175.700000113V137 L138 Q139 I144 G145V137-A141 PolarHBondContact O-N 3.3Å; L138-A141 WeakPolarHBondContact O-CB 3.41Å; L138-A141 PolarHBondContact O-N 3.15Å; Q139-A141 VanDerWaalsContact C-N 3.3Å; A141-I144 PolarHBondContact O-N 3.4Å; A141-G145 PolarHBondContact O-N 2.84Å
142T96.1Very high93.5Very high62 Ų6245.9 Ų45.938%0.3824%0.241SC..Hα-helixtrans-67.3-40.617557.80000112.1L138 Q139 I144 G145 F146L138-T142 PolarHBondContact O-N 3.46Å; Q139-T142 PolarHBondContact O-N 3.35Å; Q139-T142 PolarHBondContact O-OG1 2.78Å; T142-I144 PolarHBondContact O-N 2.9Å; T142-G145 PolarHBondContact O-N 3.46Å; T142-F146 WeakPolarHBondContact O-CD2 3.49Å; T142-F146 WeakPolarHBondContact O-CG 3.26Å; T142-F146 PolarHBondContact O-N 3.01Å
143V96Very high94Very high2 Ų247.2 Ų47.21%0.01225%0.247CC..Hα-helixtrans-60.2-45.3173.9169.40000111.3W53 I96 F99 Q139 C140 G145 F146 C147 V180W53-V143 HydrophobicContact CZ3-CG1 4.1Å; I96-V143 HydrophobicContact CG2-CG1 3.95Å; F99-V143 HydrophobicContact CB-CG2 3.66Å; Q139-V143 WeakPolarHBondContact O-CG2 3.11Å; Q139-V143 PolarHBondContact O-N 3.4Å; C140-V143 PolarHBondContact O-N 3.47Å; V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.14Å; V143-F146 PolarHBondContact O-N 3.3Å; V143-C147 PolarHBondContact O-N 3.03Å; V143-C147 PolarHBondContact O-SG 3.38Å; V143-V180 HydrophobicContact CB-CG1 4.15Å; V143-V180 HydrophobicContact CG1-CG1 3.83Å; V143-V180 HydrophobicContact CG1-CG2 4.25Å
144I95.7Very high94.2Very high52 Ų5247 Ų4727%0.26725%0.246SC..Hα-helixtrans-59.2-44.1175.7-73.8164.5000111C140 A141 T142 C147 Y148 F177 V180 A181C140-I144 WeakPolarHBondContact O-CB 3.46Å; C140-I144 WeakPolarHBondContact O-CD1 3.39Å; C140-I144 VanDerWaalsContact O-CG1 3.23Å; C140-I144 WeakPolarHBondContact O-CG1 3.41Å; C140-I144 PolarHBondContact O-N 3.2Å; A141-I144 PolarHBondContact O-N 3.4Å; T142-I144 PolarHBondContact O-N 2.9Å; I144-C147 WeakPolarHBondContact O-CB 3.48Å; I144-C147 PolarHBondContact O-N 3.32Å; I144-Y148 PolarHBondContact O-N 3.15Å; I144-F177 HydrophobicContact CB-CE2 4.33Å; I144-F177 HydrophobicContact CG1-CE2 4.2Å; I144-F177 HydrophobicContact CG2-CE2 3.88Å; I144-F177 HydrophobicContact CG2-CZ 4.03Å; I144-V180 HydrophobicContact CG1-CG1 4.37Å; I144-A181 HydrophobicContact CD1-CB 4.04Å
145G96.5Very high94.3Very high39 Ų3945.2 Ų45.240%0.40224%0.237SC..Hα-helixtrans-61.2-43.2175.500000113.2A141 T142 V143 Y148 W149A141-G145 PolarHBondContact O-N 2.84Å; T142-G145 PolarHBondContact O-N 3.46Å; V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.14Å; G145-Y148 PolarHBondContact O-N 2.96Å; G145-W149 PolarHBondContact O-N 3.17Å
146F95.6Very high94.4Very high50 Ų5045.1 Ų45.122%0.21924%0.242CC..Hα-helixtrans-67.6-34.8174.3-65.8-44.5000112.7L92 V95 I96 F99 T142 V143 W149 A150L92-F146 HydrophobicContact CD2-CD1 4.35Å; V95-F146 HydrophobicContact CG1-CD2 4.29Å; V95-F146 HydrophobicContact CG1-CE2 4.04Å; V95-F146 HydrophobicContact CG1-CZ 4.45Å; I96-F146 HydrophobicContact CD1-CB 3.82Å; I96-F146 HydrophobicContact CG1-CB 3.55Å; I96-F146 HydrophobicContact CG1-CG 4.48Å; F99-F146 HydrophobicContact CD2-CD2 4.48Å; F99-F146 AromaticContact CD2-CE2 3.97Å; F99-F146 HydrophobicContact CD2-CE2 3.97Å; F99-F146 AromaticContact CE2-CE2 3.78Å; F99-F146 HydrophobicContact CE2-CE2 3.78Å; F99-F146 HydrophobicContact CE2-CZ 4.48Å; F99-F146 HydrophobicContact CZ-CE2 4.45Å; T142-F146 WeakPolarHBondContact O-CD2 3.49Å; T142-F146 WeakPolarHBondContact O-CG 3.26Å; T142-F146 PolarHBondContact O-N 3.01Å; V143-F146 PolarHBondContact O-N 3.3Å; F146-W149 HydrophobicContact CD1-CE3 4.3Å; F146-W149 PolarHBondContact O-N 3.11Å; F146-A150 WeakPolarHBondContact O-CB 3.38Å; F146-A150 PolarHBondContact O-N 2.97Å
147C94.4Very high94.4Very high5 Ų546.2 Ų46.23%0.03425%0.247CC..Hα-helixtrans-63-43.8174.6-68.10000111.1V143 I144 A150 S151 F173 F177V143-C147 PolarHBondContact O-N 3.03Å; V143-C147 PolarHBondContact O-SG 3.38Å; I144-C147 WeakPolarHBondContact O-CB 3.48Å; I144-C147 PolarHBondContact O-N 3.32Å; C147-A150 PolarHBondContact O-N 3.34Å; C147-S151 PolarHBondContact O-N 2.96Å; C147-S151 PolarHBondContact O-OG 3.24Å; C147-F173 HydrophobicContact CB-CE1 4.41Å; C147-F177 HydrophobicContact CB-CD2 3.8Å; C147-F177 HydrophobicContact CB-CE2 4.12Å
148Y95.6Very high94.2Very high135 Ų13544.5 Ų44.553%0.52924%0.237SC..Hα-helixtrans-60.2-47.6173.9178.8-91.5000111.6I144 G145 A150 S151 E152 F173I144-Y148 PolarHBondContact O-N 3.15Å; G145-Y148 PolarHBondContact O-N 2.96Å; Y148-A150 VanDerWaalsContact C-N 3.34Å; Y148-A150 PolarHBondContact O-N 2.65Å; Y148-S151 WeakPolarHBondContact CA-OG 3.46Å; Y148-S151 PolarHBondContact O-N 3.18Å; Y148-S151 VanDerWaalsContact O-N 3.17Å; Y148-S151 PolarHBondContact O-OG 3.13Å; Y148-E152 HydrophobicContact CD1-CG 4.46Å; Y148-E152 HydrophobicContact CE1-CG 3.93Å; Y148-E152 PolarHBondContact O-N 2.88Å; Y148-E152 VanDerWaalsContact O-N 3.08Å; Y148-F173 HydrophobicContact CD2-CZ 4.17Å
149W96.3Very high93.9Very high148 Ų14844 Ų4456%0.56123%0.232SC*.Hα-helixtrans-61.5-42.2177.9-166.31.8000111.8L92 G145 F146 S151 E152 L153L92-W149 HydrophobicContact CD1-CB 4.47Å; L92-W149 HydrophobicContact CD1-CD2 4.34Å; L92-W149 HydrophobicContact CD1-CG 4.17Å; L92-W149 HydrophobicContact CD2-CE3 4.39Å; G145-W149 PolarHBondContact O-N 3.17Å; F146-W149 HydrophobicContact CD1-CE3 4.3Å; F146-W149 PolarHBondContact O-N 3.11Å; W149-S151 PolarHBondContact O-N 3.33Å; W149-E152 PolarHBondContact O-N 3.34Å; W149-L153 HydrophobicContact CG-CD1 4.37Å; W149-L153 VanDerWaalsContact NE1-CD1 3.34Å; W149-L153 VanDerWaalsContact O-CD1 3.3Å; W149-L153 WeakPolarHBondContact O-CD1 3.5Å; W149-L153 PolarHBondContact O-N 2.98Å; W149-L153 VanDerWaalsContact O-N 3.07Å
150A93.9Very high93.6Very high1 Ų150.3 Ų50.31%0.00826%0.261CS..Hα-helixtrans-61.8-39.9174.800000112.4T89 L92 I93 F146 C147 Y148 L153 I154T89-A150 HydrophobicContact CG2-CB 4.49Å; L92-A150 HydrophobicContact CB-CB 4.43Å; L92-A150 HydrophobicContact CD1-CB 4.39Å; I93-A150 HydrophobicContact CG1-CB 4.46Å; F146-A150 WeakPolarHBondContact O-CB 3.38Å; F146-A150 PolarHBondContact O-N 2.97Å; C147-A150 PolarHBondContact O-N 3.34Å; Y148-A150 VanDerWaalsContact C-N 3.34Å; Y148-A150 PolarHBondContact O-N 2.65Å; A150-L153 PolarHBondContact O-N 3.29Å; A150-I154 VanDerWaalsContact O-CG1 3.31Å; A150-I154 WeakPolarHBondContact O-CG1 3.24Å; A150-I154 PolarHBondContact O-N 3.17Å
151S93.2Very high93.1Very high6 Ų652.6 Ų52.64%0.04227%0.272CS..Hα-helixtrans-64.6-37.917652.60000113.2C147 Y148 W149 I154 L155 F173C147-S151 PolarHBondContact O-N 2.96Å; C147-S151 PolarHBondContact O-OG 3.24Å; Y148-S151 WeakPolarHBondContact CA-OG 3.46Å; Y148-S151 PolarHBondContact O-N 3.18Å; Y148-S151 VanDerWaalsContact O-N 3.17Å; Y148-S151 PolarHBondContact O-OG 3.13Å; W149-S151 PolarHBondContact O-N 3.33Å; S151-I154 PolarHBondContact O-N 3.46Å; S151-L155 VanDerWaalsContact O-CB 3.31Å; S151-L155 WeakPolarHBondContact O-CB 3.18Å; S151-L155 PolarHBondContact O-N 3.42Å; S151-F173 WeakPolarHBondContact OG-CZ 3.32Å
152E94.3Very high92.4Very high82 Ų8254.6 Ų54.638%0.38327%0.269SS..Hα-helixtrans-67-36.6174.6-73.3-60.8136.800112.2Y148 W149 L155 S156Y148-E152 HydrophobicContact CD1-CG 4.46Å; Y148-E152 HydrophobicContact CE1-CG 3.93Å; Y148-E152 PolarHBondContact O-N 2.88Å; Y148-E152 VanDerWaalsContact O-N 3.08Å; W149-E152 PolarHBondContact O-N 3.34Å; E152-L155 PolarHBondContact O-N 3.44Å; E152-S156 WeakPolarHBondContact O-CB 3.43Å; E152-S156 PolarHBondContact O-N 3.22Å; E152-S156 PolarHBondContact O-OG 2.72Å
153L93.4Very high91.4Very high39 Ų3957.6 Ų57.620%0.20428%0.276CS..Hα-helixtrans-64.5-42172.7-96.275.8000112.3Q88 L92 W149 A150 S156 L157Q88-L153 HydrophobicContact CB-CD2 3.66Å; L92-L153 HydrophobicContact CD1-CD1 4.48Å; L92-L153 HydrophobicContact CD1-CD2 4.15Å; W149-L153 HydrophobicContact CG-CD1 4.37Å; W149-L153 VanDerWaalsContact NE1-CD1 3.34Å; W149-L153 VanDerWaalsContact O-CD1 3.3Å; W149-L153 WeakPolarHBondContact O-CD1 3.5Å; W149-L153 PolarHBondContact O-N 2.98Å; W149-L153 VanDerWaalsContact O-N 3.07Å; A150-L153 PolarHBondContact O-N 3.29Å; L153-S156 WeakPolarHBondContact CA-OG 3.5Å; L153-S156 PolarHBondContact O-OG 2.89Å; L153-S156 VanDerWaalsContact O-OG 3.12Å; L153-L157 VanDerWaalsContact O-CB 3.26Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 PolarHBondContact O-N 3.41Å; L153-L157 VanDerWaalsContact O-N 3.1Å
154I91.6Very high90.5Very high0 Ų065.1 Ų65.10%031%0.306CS..Hα-helixtrans-67.5-43.2177.6-65.5162.3000110.3V54 V56 L66 T89 A150 S151 L157 Q158 V171V54-I154 HydrophobicContact CG1-CD1 4.14Å; V56-I154 HydrophobicContact CG2-CG2 3.65Å; L66-I154 HydrophobicContact CD1-CD1 4.23Å; T89-I154 HydrophobicContact CG2-CD1 3.82Å; T89-I154 HydrophobicContact CG2-CG1 3.59Å; A150-I154 VanDerWaalsContact O-CG1 3.31Å; A150-I154 WeakPolarHBondContact O-CG1 3.24Å; A150-I154 PolarHBondContact O-N 3.17Å; S151-I154 PolarHBondContact O-N 3.46Å; I154-L157 PolarHBondContact O-N 2.94Å; I154-Q158 WeakPolarHBondContact O-CB 3.36Å; I154-Q158 WeakPolarHBondContact O-CG 3.36Å; I154-Q158 PolarHBondContact O-N 3.17Å; I154-V171 HydrophobicContact CG2-CG2 4.11Å
155L92.1Very high89.6Confident29 Ų2972.6 Ų72.615%0.15234%0.339CS..Hα-helixtrans-62.9-48.9179.3-178.661.2000111.5S151 E152 L157 Q158 Q159 I169 V171S151-L155 VanDerWaalsContact O-CB 3.31Å; S151-L155 WeakPolarHBondContact O-CB 3.18Å; S151-L155 PolarHBondContact O-N 3.42Å; E152-L155 PolarHBondContact O-N 3.44Å; L155-L157 PolarHBondContact O-N 3.02Å; L155-Q158 PolarHBondContact O-N 2.82Å; L155-Q159 HydrophobicContact CD1-CG 4.21Å; L155-Q159 HydrophobicContact CG-CG 4.43Å; L155-Q159 WeakPolarHBondContact O-CB 3.23Å; L155-Q159 VanDerWaalsContact O-CG 3.25Å; L155-Q159 WeakPolarHBondContact O-CG 3.43Å; L155-Q159 PolarHBondContact O-N 3Å; L155-I169 HydrophobicContact CD1-CG2 4.3Å; L155-V171 HydrophobicContact CB-CG2 3.91Å; L155-V171 HydrophobicContact CD1-CG2 4.16Å
156S91.5Very high88.6Confident64 Ų6474.4 Ų74.445%0.44836%0.358SS..Hα-helixtrans-62.9-41178.551.50000112.5E152 L153 Q159 Q160E152-S156 WeakPolarHBondContact O-CB 3.43Å; E152-S156 PolarHBondContact O-N 3.22Å; E152-S156 PolarHBondContact O-OG 2.72Å; L153-S156 WeakPolarHBondContact CA-OG 3.5Å; L153-S156 PolarHBondContact O-OG 2.89Å; L153-S156 VanDerWaalsContact O-OG 3.12Å; S156-Q159 PolarHBondContact O-N 3.42Å; S156-Q160 PolarHBondContact O-N 2.87Å
157L90.9Very high87.9Confident24 Ų2473.6 Ų73.613%0.12636%0.358CS..Hα-helixtrans-60.4-49.1174.3-176.164.7000112Y83 N86 L153 I154 L155 Q159 Q160 H161Y83-L157 WeakPolarHBondContact O-CD2 3.41Å; Y83-L157 WeakPolarHBondContact O-CG 3.32Å; N86-L157 HydrophobicContact CB-CD2 4.09Å; L153-L157 VanDerWaalsContact O-CB 3.26Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 PolarHBondContact O-N 3.41Å; L153-L157 VanDerWaalsContact O-N 3.1Å; I154-L157 PolarHBondContact O-N 2.94Å; L155-L157 PolarHBondContact O-N 3.02Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 2.91Å; L157-Q160 PolarHBondContact O-N 3.45Å; L157-H161 PolarHBondContact O-CD2 3.29Å; L157-H161 PolarHBondContact O-N 2.9Å; L157-H161 VanDerWaalsContact O-N 3.08Å
158Q89.3Confident87.4Confident0 Ų079.9 Ų79.90%039%0.391CS..Hα-helixtrans-69.2-30.2178.2-72.3-72.7-56.700112.8V56 G59 T60 Y83 I154 L155 Q160 H161 K162 I169V56-Q158 HydrophobicContact CG1-CG 4.44Å; G59-Q158 VanDerWaalsContact CA-OE1 3.24Å; T60-Q158 PolarHBondContact OG1-NE2 3.25Å; T60-Q158 PolarHBondContact OG1-OE1 2.99Å; Y83-Q158 VanDerWaalsContact C-NE2 3.34Å; Y83-Q158 PolarHBondContact O-NE2 3.07Å; I154-Q158 WeakPolarHBondContact O-CB 3.36Å; I154-Q158 WeakPolarHBondContact O-CG 3.36Å; I154-Q158 PolarHBondContact O-N 3.17Å; L155-Q158 PolarHBondContact O-N 2.82Å; Q158-Q160 VanDerWaalsContact C-N 3.34Å; Q158-H161 CarbonylContact O-C 3.43Å; Q158-H161 PolarHBondContact O-N 2.96Å; Q158-K162 PolarHBondContact O-N 3.42Å; Q158-I169 HydrophobicContact CB-CD1 4.32Å; Q158-I169 HydrophobicContact CB-CG2 3.87Å; Q158-I169 VanDerWaalsContact O-CD1 3.3Å; Q158-I169 WeakPolarHBondContact O-CD1 3.22Å
159Q88.6Confident87.2Confident98 Ų9874.3 Ų74.346%0.45837%0.37SS..Hα-helixtrans-70.3-27.7172.7-77.5-177.211.500113.3L155 S156 L157 K162L155-Q159 HydrophobicContact CD1-CG 4.21Å; L155-Q159 HydrophobicContact CG-CG 4.43Å; L155-Q159 WeakPolarHBondContact O-CB 3.23Å; L155-Q159 VanDerWaalsContact O-CG 3.25Å; L155-Q159 WeakPolarHBondContact O-CG 3.43Å; L155-Q159 PolarHBondContact O-N 3Å; S156-Q159 PolarHBondContact O-N 3.42Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 2.91Å; Q159-K162 VanDerWaalsContact O-CE 3.26Å; Q159-K162 WeakPolarHBondContact O-CE 3.32Å; Q159-K162 WeakPolarHBondContact O-CG 3.49Å
160Q87.9Confident86.9Confident153 Ų15372.4 Ų72.472%0.71536%0.363SS*.Hα-helixtrans-76.3-37.3171.9-177.9174.3-22.700111.5S156 L157 Q158S156-Q160 PolarHBondContact O-N 2.87Å; L157-Q160 PolarHBondContact O-N 3.45Å; Q158-Q160 VanDerWaalsContact C-N 3.34Å
161H85.7Confident86.8Confident54 Ų5473.8 Ų73.825%0.2537%0.372CS..SBendtrans-104.350.1-176.5-68.1-95000113.2T60 Y83 L157 Q158 K163T60-H161 WeakPolarHBondContact CG2-O 3.2Å; Y83-H161 AromaticContact CD1-CE1 3.62Å; Y83-H161 AromaticContact CD1-CG 3.96Å; Y83-H161 AromaticContact CD1-ND1 3.7Å; Y83-H161 AromaticContact CD1-NE2 3.84Å; Y83-H161 HydrophobicContact CD2-CB 4.1Å; Y83-H161 AromaticContact CD2-CG 3.85Å; Y83-H161 AromaticContact CD2-ND1 3.5Å; Y83-H161 AromaticContact CE1-CE1 3.36Å; Y83-H161 WeakPolarHBondContact CE1-CE1 3.24Å; Y83-H161 AromaticContact CE1-ND1 3.68Å; Y83-H161 AromaticContact CE1-NE2 3.93Å; Y83-H161 AromaticContact CE2-CE1 3.97Å; Y83-H161 AromaticContact CE2-ND1 3.47Å; Y83-H161 WeakPolarHBondContact CE2-ND1 3.27Å; Y83-H161 HydrophobicContact CG-CB 4.1Å; Y83-H161 AromaticContact CG-CG 3.68Å; Y83-H161 AromaticContact CG-ND1 3.62Å; Y83-H161 AromaticContact CZ-CE1 3.56Å; Y83-H161 AromaticContact CZ-ND1 3.56Å; L157-H161 PolarHBondContact O-CD2 3.29Å; L157-H161 PolarHBondContact O-N 2.9Å; L157-H161 VanDerWaalsContact O-N 3.08Å; Q158-H161 CarbonylContact O-C 3.43Å; Q158-H161 PolarHBondContact O-N 2.96Å; H161-K163 PolarHBondContact O-N 2.79Å
162K81.1Confident86.9Confident104 Ų10475.5 Ų75.545%0.45238%0.382SS..  trans-66.8124.2-178.9-64.4-174.4-177.2-177.60112.5Q158 Q159 Y164 I169Q158-K162 PolarHBondContact O-N 3.42Å; Q159-K162 VanDerWaalsContact O-CE 3.26Å; Q159-K162 WeakPolarHBondContact O-CE 3.32Å; Q159-K162 WeakPolarHBondContact O-CG 3.49Å; K162-Y164 VanDerWaalsContact C-N 3.34Å; K162-Y164 PolarHBondContact O-N 2.94Å; K162-I169 HydrophobicContact CG-CD1 3.89Å
163K75.2Confident86.9Confident125 Ų12574 Ų7454%0.54338%0.375SS..SBendtrans-63.7-34.7175.2-164.7169.8-177.2164.10113.9T60 H161T60-K163 HydrophobicContact CG2-CB 3.83Å; T60-K163 HydrophobicContact CG2-CG 4.34Å; H161-K163 PolarHBondContact O-N 2.79Å
164Y78.8Confident87Confident159 Ų15972.3 Ų72.362%0.62437%0.366SS*.SBendtrans-137.7138.8179.4-60.6-75.1000111.1K162 G166 S167K162-Y164 VanDerWaalsContact C-N 3.34Å; K162-Y164 PolarHBondContact O-N 2.94Å; Y164-G166 PolarHBondContact O-N 3.03Å; Y164-S167 WeakPolarHBondContact O-CB 3.35Å; Y164-S167 PolarHBondContact O-N 3.31Å; Y164-S167 VanDerWaalsContact O-N 3.14Å; Y164-S167 PolarHBondContact O-OG 3.43Å
165H75.3Confident87.1Confident209 Ų20976.5 Ų76.597%0.96839%0.387SS*.THydrogen-bonded Turntrans-63.5125.1174.8-124.475.1000109.8
166G75.6Confident87.2Confident78 Ų7875.1 Ų75.180%0.80438%0.38SS*.THydrogen-bonded Turntrans84.50.7-175.800000116.1Y164 L168Y164-G166 PolarHBondContact O-N 3.03Å; G166-L168 PolarHBondContact O-N 2.94Å
167S81.8Confident87.4Confident32 Ų3273.3 Ų73.322%0.22437%0.365CS..  trans-63.7129.8172.3550000111.7Y164Y164-S167 WeakPolarHBondContact O-CB 3.35Å; Y164-S167 PolarHBondContact O-N 3.31Å; Y164-S167 VanDerWaalsContact O-N 3.14Å; Y164-S167 PolarHBondContact O-OG 3.43Å
168L84.6Confident87.6Confident138 Ų13878.7 Ų78.772%0.72338%0.384SS*.  trans-78.4122.1173.3-172.3114.6000108.7G166 Y170G166-L168 PolarHBondContact O-N 2.94Å; L168-Y170 HydrophobicContact CD2-CD1 3.49Å; L168-Y170 VanDerWaalsContact CD2-CD1 3.49Å; L168-Y170 HydrophobicContact CD2-CE1 3.69Å; L168-Y170 HydrophobicContact CG-CD1 4.42Å
169I90.1Very high88Confident17 Ų1780.7 Ų80.79%0.08739%0.394CS..  trans-122.2129.4178-57.3178.1000107.3H57 L155 Q158 K162H57-I169 WeakPolarHBondContact O-CA 3.32Å; L155-I169 HydrophobicContact CD1-CG2 4.3Å; Q158-I169 HydrophobicContact CB-CD1 4.32Å; Q158-I169 HydrophobicContact CB-CG2 3.87Å; Q158-I169 VanDerWaalsContact O-CD1 3.3Å; Q158-I169 WeakPolarHBondContact O-CD1 3.22Å; K162-I169 HydrophobicContact CG-CD1 3.89Å
170Y90.2Very high88.3Confident108 Ų10876 Ų7642%0.42437%0.373SS..EExtended strand (participates in β ladder)trans-146.7154.417663.4-78.5000110.6H57 L168 T172H57-Y170 HydrophobicContact CB-CD1 3.85Å; H57-Y170 HydrophobicContact CB-CD2 4.17Å; H57-Y170 HydrophobicContact CB-CE1 3.45Å; H57-Y170 VanDerWaalsContact CB-CE1 3.45Å; H57-Y170 HydrophobicContact CB-CE2 3.79Å; H57-Y170 HydrophobicContact CB-CG 4.19Å; H57-Y170 VanDerWaalsContact CB-CZ 3.4Å; H57-Y170 AromaticContact CD2-CD2 3.76Å; H57-Y170 AromaticContact CD2-CE2 3.31Å; H57-Y170 WeakPolarHBondContact CD2-CE2 3.46Å; H57-Y170 AromaticContact CD2-CZ 3.78Å; H57-Y170 AromaticContact CG-CE2 3.5Å; H57-Y170 AromaticContact CG-CZ 3.44Å; H57-Y170 VanDerWaalsContact CG-CZ 3.44Å; H57-Y170 PolarHBondContact N-O 3.45Å; H57-Y170 AromaticContact ND1-CZ 3.95Å; H57-Y170 AromaticContact NE2-CE2 3.89Å; H57-Y170 PolarHBondContact O-N 2.94Å; L168-Y170 HydrophobicContact CD2-CD1 3.49Å; L168-Y170 VanDerWaalsContact CD2-CD1 3.49Å; L168-Y170 HydrophobicContact CD2-CE1 3.69Å; L168-Y170 HydrophobicContact CG-CD1 4.42Å; Y170-T172 HydrophobicContact CD2-CG2 3.74Å; Y170-T172 HydrophobicContact CE2-CG2 3.81Å
171V92.6Very high88.7Confident30 Ų3070.7 Ų70.718%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-117.9134.7-178.2178.80000107.8V54 V56 I154 L155V54-V171 HydrophobicContact CG1-CG1 3.19Å; V56-V171 HydrophobicContact CG2-CG2 4.43Å; I154-V171 HydrophobicContact CG2-CG2 4.11Å; L155-V171 HydrophobicContact CB-CG2 3.91Å; L155-V171 HydrophobicContact CD1-CG2 4.16Å
172T93.8Very high89.2Confident43 Ų4370 Ų7026%0.26436%0.363SS..EExtended strand (participates in β ladder)trans-125.7148.7-179.255.30000110.4R55 H57 Y170R55-T172 PolarHBondContact N-O 3.06Å; R55-T172 PolarHBondContact O-N 3.5Å; R55-T172 PolarHBondContact O-OG1 3.21Å; H57-T172 PolarHBondContact CD2-OG1 3.25Å; H57-T172 PolarHBondContact NE2-OG1 3.47Å; Y170-T172 HydrophobicContact CD2-CG2 3.74Å; Y170-T172 HydrophobicContact CE2-CG2 3.81Å
173F94.9Very high90Very high51 Ų5165.1 Ų65.122%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-73.6145.8171.2-59.2-62.5000111.2C147 Y148 S151 F177 Y178C147-F173 HydrophobicContact CB-CE1 4.41Å; Y148-F173 HydrophobicContact CD2-CZ 4.17Å; S151-F173 WeakPolarHBondContact OG-CZ 3.32Å; F173-F177 HydrophobicContact CB-CB 3.89Å; F173-F177 HydrophobicContact CB-CD1 3.57Å; F173-F177 HydrophobicContact CB-CD2 4.3Å; F173-F177 HydrophobicContact CB-CE1 4.15Å; F173-F177 HydrophobicContact CB-CG 3.66Å; F173-F177 HydrophobicContact CD1-CB 4.35Å; F173-F177 HydrophobicContact CD1-CD1 4.38Å; F173-F177 AromaticContact CD1-CD2 3.63Å; F173-F177 HydrophobicContact CD1-CD2 3.63Å; F173-F177 AromaticContact CD1-CE2 3.92Å; F173-F177 HydrophobicContact CD1-CE2 3.92Å; F173-F177 AromaticContact CD1-CG 3.88Å; F173-F177 HydrophobicContact CD1-CG 3.88Å; F173-F177 HydrophobicContact CD1-CZ 4.44Å; F173-F177 HydrophobicContact CD2-CD1 4.26Å; F173-F177 AromaticContact CD2-CE1 3.99Å; F173-F177 HydrophobicContact CD2-CE1 3.99Å; F173-F177 HydrophobicContact CD2-CE2 4.27Å; F173-F177 AromaticContact CD2-CZ 3.99Å; F173-F177 HydrophobicContact CD2-CZ 3.99Å; F173-F177 HydrophobicContact CE1-CD2 4.13Å; F173-F177 HydrophobicContact CE1-CE2 4.07Å; F173-F177 HydrophobicContact CE2-CE2 4.39Å; F173-F177 HydrophobicContact CE2-CZ 4.24Å; F173-F177 HydrophobicContact CG-CB 4.37Å; F173-F177 AromaticContact CG-CD1 3.81Å; F173-F177 HydrophobicContact CG-CD1 3.81Å; F173-F177 AromaticContact CG-CD2 3.89Å; F173-F177 HydrophobicContact CG-CD2 3.89Å; F173-F177 AromaticContact CG-CE1 3.99Å; F173-F177 HydrophobicContact CG-CE1 3.99Å; F173-F177 HydrophobicContact CG-CE2 4.05Å; F173-F177 AromaticContact CG-CG 3.76Å; F173-F177 HydrophobicContact CG-CG 3.76Å; F173-F177 HydrophobicContact CG-CZ 4.11Å; F173-F177 HydrophobicContact CZ-CE2 4.31Å; F173-Y178 HydrophobicContact CB-CE2 4.29Å
174A94.6Very high90.9Very high3 Ų359.4 Ų59.43%0.02532%0.318CS..  trans-118-171179.600000111.1A52 W53 R55 S176 F177 Y178A52-A174 HydrophobicContact CB-CB 4.01Å; A52-A174 CarbonylContact O-C 3.31Å; A52-A174 VanDerWaalsContact O-C 3.31Å; A52-A174 WeakPolarHBondContact O-CB 3.25Å; W53-A174 PolarHBondContact O-N 2.87Å; R55-A174 HydrophobicContact CB-CB 4.38Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.91Å; A174-F177 WeakPolarHBondContact O-CB 3.49Å; A174-F177 PolarHBondContact O-N 3.35Å; A174-F177 VanDerWaalsContact O-N 3.15Å; A174-Y178 VanDerWaalsContact O-CD2 3.24Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å
175I93.9Very high91.7Very high87 Ų8753.4 Ų53.445%0.44630%0.304SS..Hα-helixtrans-57.7-39.1-161.7-162.563.4000113.5E50 A52 F177 Y178 L179E50-I175 HydrophobicContact CB-CG2 4.09Å; E50-I175 HydrophobicContact CG-CG2 4.03Å; A52-I175 HydrophobicContact CB-CG2 4.15Å; A52-I175 PolarHBondContact O-N 3.36Å; A52-I175 VanDerWaalsContact O-N 3.07Å; I175-F177 VanDerWaalsContact C-N 3.3Å; I175-F177 PolarHBondContact O-N 3.37Å; I175-Y178 PolarHBondContact O-N 2.84Å; I175-Y178 VanDerWaalsContact O-N 3.14Å; I175-L179 HydrophobicContact CG1-CD1 4.15Å; I175-L179 HydrophobicContact CG1-CG 4.34Å; I175-L179 WeakPolarHBondContact O-CG 3.31Å; I175-L179 PolarHBondContact O-N 3.23Å
176S94.7Very high92.6Very high0 Ų044.1 Ų44.10%026%0.264CS..Hα-helixtrans-64.4-33.7-177.2-49.20000112.8A47 E50 A52 W53 A174 L179 V180A47-S176 WeakPolarHBondContact O-CB 3.43Å; A47-S176 PolarHBondContact O-OG 2.94Å; E50-S176 WeakPolarHBondContact CB-OG 3.48Å; E50-S176 PolarHBondContact O-OG 2.75Å; A52-S176 PolarHBondContact O-N 3.05Å; A52-S176 VanDerWaalsContact O-N 3.08Å; A52-S176 PolarHBondContact O-OG 3.37Å; W53-S176 VanDerWaalsContact CD1-CB 3.48Å; W53-S176 PolarHBondContact NE1-OG 3.37Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.91Å; S176-L179 PolarHBondContact O-N 2.93Å; S176-V180 WeakPolarHBondContact O-CG2 3.47Å; S176-V180 PolarHBondContact O-N 3.46Å
177F95.2Very high93.4Very high27 Ų2740.4 Ų40.412%0.11823%0.225CC..Hα-helixtrans-63.3-46.6173.7173.8-90.3000111.5I144 C147 F173 A174 I175 L179 V180 A181I144-F177 HydrophobicContact CB-CE2 4.33Å; I144-F177 HydrophobicContact CG1-CE2 4.2Å; I144-F177 HydrophobicContact CG2-CE2 3.88Å; I144-F177 HydrophobicContact CG2-CZ 4.03Å; C147-F177 HydrophobicContact CB-CD2 3.8Å; C147-F177 HydrophobicContact CB-CE2 4.12Å; F173-F177 HydrophobicContact CB-CB 3.89Å; F173-F177 HydrophobicContact CB-CD1 3.57Å; F173-F177 HydrophobicContact CB-CD2 4.3Å; F173-F177 HydrophobicContact CB-CE1 4.15Å; F173-F177 HydrophobicContact CB-CG 3.66Å; F173-F177 HydrophobicContact CD1-CB 4.35Å; F173-F177 HydrophobicContact CD1-CD1 4.38Å; F173-F177 AromaticContact CD1-CD2 3.63Å; F173-F177 HydrophobicContact CD1-CD2 3.63Å; F173-F177 AromaticContact CD1-CE2 3.92Å; F173-F177 HydrophobicContact CD1-CE2 3.92Å; F173-F177 AromaticContact CD1-CG 3.88Å; F173-F177 HydrophobicContact CD1-CG 3.88Å; F173-F177 HydrophobicContact CD1-CZ 4.44Å; F173-F177 HydrophobicContact CD2-CD1 4.26Å; F173-F177 AromaticContact CD2-CE1 3.99Å; F173-F177 HydrophobicContact CD2-CE1 3.99Å; F173-F177 HydrophobicContact CD2-CE2 4.27Å; F173-F177 AromaticContact CD2-CZ 3.99Å; F173-F177 HydrophobicContact CD2-CZ 3.99Å; F173-F177 HydrophobicContact CE1-CD2 4.13Å; F173-F177 HydrophobicContact CE1-CE2 4.07Å; F173-F177 HydrophobicContact CE2-CE2 4.39Å; F173-F177 HydrophobicContact CE2-CZ 4.24Å; F173-F177 HydrophobicContact CG-CB 4.37Å; F173-F177 AromaticContact CG-CD1 3.81Å; F173-F177 HydrophobicContact CG-CD1 3.81Å; F173-F177 AromaticContact CG-CD2 3.89Å; F173-F177 HydrophobicContact CG-CD2 3.89Å; F173-F177 AromaticContact CG-CE1 3.99Å; F173-F177 HydrophobicContact CG-CE1 3.99Å; F173-F177 HydrophobicContact CG-CE2 4.05Å; F173-F177 AromaticContact CG-CG 3.76Å; F173-F177 HydrophobicContact CG-CG 3.76Å; F173-F177 HydrophobicContact CG-CZ 4.11Å; F173-F177 HydrophobicContact CZ-CE2 4.31Å; A174-F177 WeakPolarHBondContact O-CB 3.49Å; A174-F177 PolarHBondContact O-N 3.35Å; A174-F177 VanDerWaalsContact O-N 3.15Å; I175-F177 VanDerWaalsContact C-N 3.3Å; I175-F177 PolarHBondContact O-N 3.37Å; F177-L179 VanDerWaalsContact C-N 3.31Å; F177-L179 PolarHBondContact O-N 3.44Å; F177-V180 PolarHBondContact O-N 3.47Å; F177-A181 PolarHBondContact O-N 2.97Å
178Y96.4Very high93.9Very high137 Ų13743.4 Ų43.454%0.53724%0.238SC..Hα-helixtrans-68.6-30.9178.6-62.4-67.8000112.3F173 A174 I175 A181 G182F173-Y178 HydrophobicContact CB-CE2 4.29Å; A174-Y178 VanDerWaalsContact O-CD2 3.24Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å; I175-Y178 PolarHBondContact O-N 2.84Å; I175-Y178 VanDerWaalsContact O-N 3.14Å; Y178-A181 PolarHBondContact O-N 3.36Å; Y178-G182 PolarHBondContact O-N 3.06Å
179L96.4Very high94.2Very high41 Ų4142.1 Ų42.122%0.21523%0.231CC..Hα-helixtrans-66-42.7171.9-73169.2000112.1A43 T46 A47 I175 S176 F177 G182 A183A43-L179 HydrophobicContact CB-CD2 4.37Å; T46-L179 HydrophobicContact CG2-CD1 3.61Å; A47-L179 HydrophobicContact CB-CB 3.89Å; A47-L179 HydrophobicContact CB-CD1 4.46Å; I175-L179 HydrophobicContact CG1-CD1 4.15Å; I175-L179 HydrophobicContact CG1-CG 4.34Å; I175-L179 WeakPolarHBondContact O-CG 3.31Å; I175-L179 PolarHBondContact O-N 3.23Å; S176-L179 PolarHBondContact O-N 2.93Å; F177-L179 VanDerWaalsContact C-N 3.31Å; F177-L179 PolarHBondContact O-N 3.44Å; L179-G182 PolarHBondContact O-N 3.39Å; L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 2.92Å
180V96.2Very high94.1Very high1 Ų141.3 Ų41.31%0.00623%0.227CC..Hα-helixtrans-63.9-41.7173.2174.90000111.4L44 A47 W53 C140 V143 I144 S176 F177 A183 G184L44-V180 HydrophobicContact CD2-CG2 4.28Å; A47-V180 HydrophobicContact CB-CG2 3.86Å; W53-V180 HydrophobicContact CH2-CG2 3.82Å; W53-V180 HydrophobicContact CZ3-CG2 4.07Å; C140-V180 HydrophobicContact CB-CG1 4.1Å; V143-V180 HydrophobicContact CB-CG1 4.15Å; V143-V180 HydrophobicContact CG1-CG1 3.83Å; V143-V180 HydrophobicContact CG1-CG2 4.25Å; I144-V180 HydrophobicContact CG1-CG1 4.37Å; S176-V180 WeakPolarHBondContact O-CG2 3.47Å; S176-V180 PolarHBondContact O-N 3.46Å; F177-V180 PolarHBondContact O-N 3.47Å; V180-A183 WeakPolarHBondContact O-CB 3.37Å; V180-A183 PolarHBondContact O-N 3.23Å; V180-G184 PolarHBondContact O-N 3.21Å
181A96.4Very high94Very high40 Ų4037 Ų3733%0.33121%0.212SC..Hα-helixtrans-63.2-41.6175.100000112.2I144 F177 Y178 G184 G185I144-A181 HydrophobicContact CD1-CB 4.04Å; F177-A181 PolarHBondContact O-N 2.97Å; Y178-A181 PolarHBondContact O-N 3.36Å; A181-G184 PolarHBondContact O-N 2.93Å; A181-G185 PolarHBondContact O-N 3.01Å
182G96.2Very high93.7Very high41 Ų4137.4 Ų37.442%0.42322%0.219SC..Hα-helixtrans-63.3-39.8173.700000112.9Y178 L179 G185 A186Y178-G182 PolarHBondContact O-N 3.06Å; L179-G182 PolarHBondContact O-N 3.39Å; G182-G185 PolarHBondContact O-N 3.38Å; G182-A186 WeakPolarHBondContact O-CB 3.49Å; G182-A186 PolarHBondContact O-N 2.86Å
183A96.2Very high93.2Very high0 Ų036.5 Ų36.50%022%0.215CC..Hα-helixtrans-61.8-47.3173.700000111.8S40 A43 L44 L179 V180 G185 A186 S187S40-A183 PolarHBondContact OG-O 2.88Å; A43-A183 HydrophobicContact CB-CB 3.96Å; L44-A183 HydrophobicContact CD2-CB 3.85Å; L44-A183 HydrophobicContact CG-CB 3.72Å; L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 2.92Å; V180-A183 WeakPolarHBondContact O-CB 3.37Å; V180-A183 PolarHBondContact O-N 3.23Å; A183-G185 VanDerWaalsContact C-N 3.33Å; A183-G185 PolarHBondContact O-N 2.91Å; A183-A186 PolarHBondContact O-N 3.18Å; A183-A186 VanDerWaalsContact O-N 3.16Å; A183-S187 PolarHBondContact O-N 2.99Å; A183-S187 PolarHBondContact O-OG 3.31Å
184G95Very high92.5Very high6 Ų634.1 Ų34.16%0.06221%0.205CC..Hα-helixtrans-56.1-46173.200000112.2V180 A181 A186 S187 I188V180-G184 PolarHBondContact O-N 3.21Å; A181-G184 PolarHBondContact O-N 2.93Å; G184-A186 PolarHBondContact O-N 2.7Å; G184-S187 PolarHBondContact O-N 3.12Å; G184-I188 WeakPolarHBondContact O-CG1 3.28Å; G184-I188 PolarHBondContact O-N 2.85Å
185G95.4Very high91.7Very high32 Ų3238.9 Ų38.933%0.3323%0.23SC..Hα-helixtrans-60.5-43.1174.400000113.5A181 G182 A183 I188 L189A181-G185 PolarHBondContact O-N 3.01Å; G182-G185 PolarHBondContact O-N 3.38Å; A183-G185 VanDerWaalsContact C-N 3.33Å; A183-G185 PolarHBondContact O-N 2.91Å; G185-I188 WeakPolarHBondContact O-CB 3.02Å; G185-I188 PolarHBondContact O-N 2.85Å; G185-L189 PolarHBondContact O-N 3.18Å
186A93.6Very high90.9Very high14 Ų1442 Ų4212%0.11625%0.246CC..Hα-helixtrans-65.7-36.6176.200000112.3P36 L39 G182 A183 G184 L189 A190P36-A186 WeakPolarHBondContact CB-O 3.27Å; P36-A186 WeakPolarHBondContact O-CB 3.44Å; L39-A186 HydrophobicContact CB-CB 4.33Å; G182-A186 WeakPolarHBondContact O-CB 3.49Å; G182-A186 PolarHBondContact O-N 2.86Å; A183-A186 PolarHBondContact O-N 3.18Å; A183-A186 VanDerWaalsContact O-N 3.16Å; G184-A186 PolarHBondContact O-N 2.7Å; A186-L189 PolarHBondContact O-N 3.29Å; A186-A190 PolarHBondContact O-N 3.41Å
187S92.4Very high89.7Confident0 Ų044.5 Ų44.50%026%0.256CS..Hα-helixtrans-68.5-32172.1-670000113S40 T136 A183 G184 A190 T191S40-S187 WeakPolarHBondContact CB-OG 3.28Å; S40-S187 PolarHBondContact OG-OG 3.4Å; T136-S187 WeakPolarHBondContact CG2-OG 3.45Å; A183-S187 PolarHBondContact O-N 2.99Å; A183-S187 PolarHBondContact O-OG 3.31Å; G184-S187 PolarHBondContact O-N 3.12Å; S187-A190 PolarHBondContact O-N 3.38Å; S187-T191 WeakPolarHBondContact O-CB 3.4Å; S187-T191 PolarHBondContact O-N 2.96Å; S187-T191 PolarHBondContact O-OG1 3.24Å
188I93.6Very high87.9Confident95 Ų9550.7 Ų50.749%0.48729%0.285SS..Hα-helixtrans-63.7-44.5169.1-66.2168.4000110.1V137 G184 G185 T191 A192V137-I188 HydrophobicContact CB-CG1 4.4Å; V137-I188 HydrophobicContact CG1-CD1 4.09Å; V137-I188 HydrophobicContact CG1-CG1 3.83Å; V137-I188 HydrophobicContact CG2-CG1 3.57Å; G184-I188 WeakPolarHBondContact O-CG1 3.28Å; G184-I188 PolarHBondContact O-N 2.85Å; G185-I188 WeakPolarHBondContact O-CB 3.02Å; G185-I188 PolarHBondContact O-N 2.85Å; I188-T191 WeakPolarHBondContact O-CB 3.3Å; I188-T191 PolarHBondContact O-N 3.25Å; I188-A192 WeakPolarHBondContact O-CB 3.24Å; I188-A192 PolarHBondContact O-N 2.91Å
189L91.2Very high86.1Confident111 Ų11146.6 Ų46.658%0.58127%0.269SS*.Hα-helixtrans-64.1-40.5176.4-66.9175000112.2P36 G185 A186 T191 A192 A193P36-L189 HydrophobicContact CB-CB 3.99Å; P36-L189 HydrophobicContact CG-CB 4.19Å; G185-L189 PolarHBondContact O-N 3.18Å; A186-L189 PolarHBondContact O-N 3.29Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-A192 PolarHBondContact O-N 3.45Å; L189-A193 VanDerWaalsContact O-CB 3.32Å; L189-A193 WeakPolarHBondContact O-CB 3Å; L189-A193 PolarHBondContact O-N 3.25Å
190A87.6Confident84.1Confident0 Ų046.3 Ų46.30%027%0.27CS..Hα-helixtrans-60.7-43.6173.100000111.6P36 A186 S187 A193 N194P36-A190 HydrophobicContact CB-CB 4.06Å; A186-A190 PolarHBondContact O-N 3.41Å; S187-A190 PolarHBondContact O-N 3.38Å; A190-A193 PolarHBondContact O-N 2.99Å; A190-N194 WeakPolarHBondContact O-CB 3.36Å; A190-N194 PolarHBondContact O-N 3.5Å
191T87.4Confident82.2Confident17 Ų1749 Ų4910%0.10429%0.286CS..Hα-helixtrans-60.1-50.5175.6-57.10000110.9A130 H133 I134 S187 I188 L189 A193 N194 L195A130-T191 HydrophobicContact CB-CG2 3.98Å; H133-T191 WeakPolarHBondContact CB-OG1 3.38Å; I134-T191 HydrophobicContact CD1-CG2 4.13Å; I134-T191 HydrophobicContact CG1-CG2 3.66Å; S187-T191 WeakPolarHBondContact O-CB 3.4Å; S187-T191 PolarHBondContact O-N 2.96Å; S187-T191 PolarHBondContact O-OG1 3.24Å; I188-T191 WeakPolarHBondContact O-CB 3.3Å; I188-T191 PolarHBondContact O-N 3.25Å; L189-T191 VanDerWaalsContact C-N 3.34Å; T191-A193 PolarHBondContact O-N 3.26Å; T191-N194 PolarHBondContact O-N 3.08Å; T191-L195 HydrophobicContact CG2-CD1 3.8Å; T191-L195 HydrophobicContact CG2-CG 4.32Å; T191-L195 WeakPolarHBondContact O-CB 3.47Å; T191-L195 WeakPolarHBondContact O-CG 3.47Å; T191-L195 PolarHBondContact O-N 3.44Å
192A86.9Confident80.3Confident39 Ų3952.2 Ų52.232%0.32229%0.294SS..Hα-helixtrans-61.5-43.8178.400000112I188 L189 N194 L195 L196I188-A192 WeakPolarHBondContact O-CB 3.24Å; I188-A192 PolarHBondContact O-N 2.91Å; L189-A192 PolarHBondContact O-N 3.45Å; A192-N194 VanDerWaalsContact C-N 3.31Å; A192-N194 PolarHBondContact O-N 2.94Å; A192-L195 PolarHBondContact O-N 2.98Å; A192-L196 VanDerWaalsContact O-CB 3.27Å; A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 VanDerWaalsContact O-CG 3.24Å; A192-L196 WeakPolarHBondContact O-CG 3.38Å; A192-L196 PolarHBondContact O-N 2.92Å
193A83.1Confident78.2Confident24 Ų2457.7 Ų57.720%0.19831%0.309CS..Hα-helixtrans-63.2-34.4176.700000112.8A32 L189 A190 T191 R197A32-A193 WeakPolarHBondContact O-CB 3.5Å; L189-A193 VanDerWaalsContact O-CB 3.32Å; L189-A193 WeakPolarHBondContact O-CB 3Å; L189-A193 PolarHBondContact O-N 3.25Å; A190-A193 PolarHBondContact O-N 2.99Å; T191-A193 PolarHBondContact O-N 3.26Å; A193-R197 VanDerWaalsContact O-CG 3.28Å; A193-R197 WeakPolarHBondContact O-CG 3.31Å; A193-R197 PolarHBondContact O-N 3.02Å
194N79.2Confident76.4Confident2 Ų261.5 Ų61.51%0.01133%0.327CS..Hα-helixtrans-78-36.2176.1-85.2-16000113.3S33 D114 A130 A190 T191 A192 R197S33-N194 WeakPolarHBondContact CB-OD1 3.49Å; S33-N194 PolarHBondContact OG-OD1 2.98Å; D114-N194 PolarHBondContact OD1-ND2 2.91Å; D114-N194 PolarHBondContact OD2-ND2 3.26Å; A130-N194 HydrophobicContact CB-CB 4.05Å; A190-N194 WeakPolarHBondContact O-CB 3.36Å; A190-N194 PolarHBondContact O-N 3.5Å; T191-N194 PolarHBondContact O-N 3.08Å; A192-N194 VanDerWaalsContact C-N 3.31Å; A192-N194 PolarHBondContact O-N 2.94Å; N194-R197 PolarHBondContact OD1-NH1 2.98Å
195L78.3Confident74.9Confident102 Ų10265 Ų6553%0.53434%0.341SS..Hα-helixtrans-75.6-33.4177.5-68.5176.3000113.4A130 T191 A192 R197A130-L195 HydrophobicContact CB-CG 4.47Å; T191-L195 HydrophobicContact CG2-CD1 3.8Å; T191-L195 HydrophobicContact CG2-CG 4.32Å; T191-L195 WeakPolarHBondContact O-CB 3.47Å; T191-L195 WeakPolarHBondContact O-CG 3.47Å; T191-L195 PolarHBondContact O-N 3.44Å; A192-L195 PolarHBondContact O-N 2.98Å; L195-R197 VanDerWaalsContact C-N 3.32Å
196L77.9Confident73.3Confident152 Ų15269.2 Ų69.280%0.79635%0.353SS*.SBendtrans-79.4-13.9176.8-67.6172.3000113A192 H198A192-L196 VanDerWaalsContact O-CB 3.27Å; A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 VanDerWaalsContact O-CG 3.24Å; A192-L196 WeakPolarHBondContact O-CG 3.38Å; A192-L196 PolarHBondContact O-N 2.92Å; L196-H198 PolarHBondContact O-N 2.97Å
197R68.2Low72Confident54 Ų5470.7 Ų70.720%0.20436%0.364CS..SBendtrans-71.2118.6171-88.9172.5178.8160.1-1.2109.5R29 S30 S33 A193 N194 L195 Y199R29-R197 PolarHBondContact O-NE 3.28Å; R29-R197 PolarHBondContact O-NH1 2.03Å; R29-R197 PolarHBondContact O-NH2 2.85Å; S30-R197 VanDerWaalsContact C-NH2 3.28Å; S30-R197 PolarHBondContact O-NH2 3.04Å; S33-R197 VanDerWaalsContact CB-NH1 3.35Å; S33-R197 PolarHBondContact OG-NH1 3.27Å; A193-R197 VanDerWaalsContact O-CG 3.28Å; A193-R197 WeakPolarHBondContact O-CG 3.31Å; A193-R197 PolarHBondContact O-N 3.02Å; N194-R197 PolarHBondContact OD1-NH1 2.98Å; L195-R197 VanDerWaalsContact C-N 3.32Å; R197-Y199 HydrophobicContact CB-CD2 4.45Å; R197-Y199 HydrophobicContact CB-CE2 4.29Å; R197-Y199 PolarHBondContact O-N 3.49Å
198H58.3Low71Confident157 Ų15775.6 Ų75.673%0.72739%0.39SS*.  trans-65.198.2170.3-162.569.7000109.5L196L196-H198 PolarHBondContact O-N 2.97Å
199Y59.2Low70Confident50 Ų5077 Ų7720%0.19640%0.395CS..PPolyproline II helixtrans-78.3121.4165.5-88-90.6000108.2R127 R128 R197R127-Y199 VanDerWaalsContact CZ-OH 3.23Å; R127-Y199 PolarHBondContact NE-OH 3.15Å; R127-Y199 PolarHBondContact NH2-OH 3.2Å; R128-Y199 HydrophobicContact CG-CG 4.38Å; R128-Y199 PolarHBondContact NH2-O 3.42Å; R197-Y199 HydrophobicContact CB-CD2 4.45Å; R197-Y199 HydrophobicContact CB-CE2 4.29Å; R197-Y199 PolarHBondContact O-N 3.49Å
200P54Low69.1Low36 Ų3676.3 Ų76.323%0.23439%0.391CS..PPolyproline II helixtrans-51.8144.7168.520.3-30000110.1R128 E204 E205R128-P200 PolarHBondContact NH2-O 2.99Å; P200-E204 VanDerWaalsContact CA-OE2 3.23Å; P200-E204 WeakPolarHBondContact CA-OE2 3.43Å; P200-E204 HydrophobicContact CB-CB 3.54Å; P200-E205 HydrophobicContact CB-CG 4.34Å; P200-E205 HydrophobicContact CG-CG 3.9Å
201T56.1Low68.5Low58 Ų5881.1 Ų81.136%0.35642%0.416SS..PPolyproline II helixtrans-60.8162.9169.859.20000110E203 E204 E205T201-E203 PolarHBondContact O-N 3.42Å; T201-E204 PolarHBondContact N-OE2 3Å; T201-E204 PolarHBondContact O-N 2.95Å; T201-E204 PolarHBondContact OG1-N 3.44Å; T201-E204 VanDerWaalsContact OG1-N 3.11Å; T201-E205 PolarHBondContact O-N 3.47Å
202E56.5Low67.9Low106 Ų10683.2 Ų83.250%0.49543%0.431SS..Hα-helixtrans-62.2-29.3175.4-62.4-161.9134.700110.7E205 Q206E202-E205 PolarHBondContact O-N 2.79Å; E202-Q206 VanDerWaalsContact O-CB 3.25Å; E202-Q206 WeakPolarHBondContact O-CB 3.44Å; E202-Q206 PolarHBondContact O-N 2.87Å
203E52.2Low67.3Low156 Ų15686.8 Ų86.873%0.72944%0.441SS*.Hα-helixtrans-63.6-39.3169.5-57.6175157.200112.8T201 A207T201-E203 PolarHBondContact O-N 3.42Å; E203-A207 WeakPolarHBondContact O-CB 3.35Å; E203-A207 PolarHBondContact O-N 3.27Å
204E58.8Low66.7Low81 Ų8191.3 Ų91.338%0.37946%0.46SS..Hα-helixtrans-75.3-35.2174.5-77.9179.5128.300113.2P200 T201 Q206 A207 L208P200-E204 VanDerWaalsContact CA-OE2 3.23Å; P200-E204 WeakPolarHBondContact CA-OE2 3.43Å; P200-E204 HydrophobicContact CB-CB 3.54Å; T201-E204 PolarHBondContact N-OE2 3Å; T201-E204 PolarHBondContact O-N 2.95Å; T201-E204 PolarHBondContact OG1-N 3.44Å; T201-E204 VanDerWaalsContact OG1-N 3.11Å; E204-Q206 VanDerWaalsContact C-N 3.34Å; E204-A207 PolarHBondContact O-N 3.29Å; E204-L208 WeakPolarHBondContact O-CB 3.46Å; E204-L208 WeakPolarHBondContact O-CD1 3.31Å; E204-L208 PolarHBondContact O-N 2.99Å
205E63Low66.4Low79 Ų7997.6 Ų97.637%0.36949%0.489SS..Hα-helixtrans-60.6-47.1170-81.4-16715200109.9K124 P200 T201 E202 L208 E209K124-E205 IonicContact NZ-OE1 2.85Å; K124-E205 IonicContact NZ-OE2 2.83Å; K124-E205 PolarHBondContact NZ-OE2 3.49Å; P200-E205 HydrophobicContact CB-CG 4.34Å; P200-E205 HydrophobicContact CG-CG 3.9Å; T201-E205 PolarHBondContact O-N 3.47Å; E202-E205 PolarHBondContact O-N 2.79Å; E205-L208 PolarHBondContact O-N 3.17Å; E205-E209 WeakPolarHBondContact O-CB 3.3Å; E205-E209 PolarHBondContact O-N 3.34Å
206Q62.6Low65.9Low121 Ų12199.5 Ų99.557%0.56550%0.495SS*.Hα-helixtrans-67.5-35.7179.4-164.7170.311.300112.3E202 E204 E209 L210E202-Q206 VanDerWaalsContact O-CB 3.25Å; E202-Q206 WeakPolarHBondContact O-CB 3.44Å; E202-Q206 PolarHBondContact O-N 2.87Å; E204-Q206 VanDerWaalsContact C-N 3.34Å; Q206-E209 PolarHBondContact O-N 3.02Å; Q206-L210 HydrophobicContact CG-CD1 4.44Å; Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 WeakPolarHBondContact O-CD1 3.38Å; Q206-L210 VanDerWaalsContact O-CG 3.28Å; Q206-L210 WeakPolarHBondContact O-CG 3.44Å; Q206-L210 PolarHBondContact O-N 3.08Å
207A65.8Low65.3Low44 Ų4495.5 Ų95.536%0.36448%0.48SS..Hα-helixtrans-67.8-38.3172.300000112.4E203 E204 L211E203-A207 WeakPolarHBondContact O-CB 3.35Å; E203-A207 PolarHBondContact O-N 3.27Å; E204-A207 PolarHBondContact O-N 3.29Å; A207-L211 VanDerWaalsContact O-CB 3.31Å; A207-L211 WeakPolarHBondContact O-CB 3.14Å; A207-L211 WeakPolarHBondContact O-CD1 3.26Å; A207-L211 WeakPolarHBondContact O-CG 3.4Å; A207-L211 PolarHBondContact O-N 3.45Å
208L71.4Confident65Low104 Ų10496.4 Ų96.455%0.54550%0.495SS..Hα-helixtrans-66.9-39.7173.1-99.389.8000112E204 E205 L211 S212E204-L208 WeakPolarHBondContact O-CB 3.46Å; E204-L208 WeakPolarHBondContact O-CD1 3.31Å; E204-L208 PolarHBondContact O-N 2.99Å; E205-L208 PolarHBondContact O-N 3.17Å; L208-L211 PolarHBondContact O-N 3.47Å; L208-S212 PolarHBondContact O-N 3.17Å; L208-S212 PolarHBondContact O-OG 3.41Å
209E73Confident65Low125 Ų12596.8 Ų96.858%0.58450%0.497SS*.Hα-helixtrans-61.7-51.4177.2-165.4163.5-149.100110E205 Q206 L211 S212 E213E205-E209 WeakPolarHBondContact O-CB 3.3Å; E205-E209 PolarHBondContact O-N 3.34Å; Q206-E209 PolarHBondContact O-N 3.02Å; E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.3Å; E209-S212 WeakPolarHBondContact CA-OG 3.39Å; E209-S212 PolarHBondContact O-N 3.31Å; E209-S212 PolarHBondContact O-OG 2.85Å; E209-E213 WeakPolarHBondContact O-CG 3.3Å; E209-E213 PolarHBondContact O-N 3.07Å
210L71.3Confident64.8Low95 Ų9599.4 Ų99.450%0.49752%0.519SS..Hα-helixtrans-58.5-37.7173.6-73.2164.1000113.4Q206 M214Q206-L210 HydrophobicContact CG-CD1 4.44Å; Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 WeakPolarHBondContact O-CD1 3.38Å; Q206-L210 VanDerWaalsContact O-CG 3.28Å; Q206-L210 WeakPolarHBondContact O-CG 3.44Å; Q206-L210 PolarHBondContact O-N 3.08Å; L210-M214 VanDerWaalsContact O-CB 3.3Å; L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 PolarHBondContact O-N 3.01Å
211L75.5Confident64.7Low102 Ų102106.6 Ų106.653%0.53454%0.542SS..Hα-helixtrans-68.8-36.9175-76.8167.9000111.9A207 L208 E209 M214 E215A207-L211 VanDerWaalsContact O-CB 3.31Å; A207-L211 WeakPolarHBondContact O-CB 3.14Å; A207-L211 WeakPolarHBondContact O-CD1 3.26Å; A207-L211 WeakPolarHBondContact O-CG 3.4Å; A207-L211 PolarHBondContact O-N 3.45Å; L208-L211 PolarHBondContact O-N 3.47Å; E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.3Å; L211-M214 PolarHBondContact O-N 3.39Å; L211-E215 WeakPolarHBondContact O-CB 3.33Å; L211-E215 PolarHBondContact O-N 2.92Å
212S75.6Confident64.3Low60 Ų60107.4 Ų107.442%0.4255%0.548SS..Hα-helixtrans-70.9-39.9176.361.60000112.7L208 E209 M214 E215 E216L208-S212 PolarHBondContact O-N 3.17Å; L208-S212 PolarHBondContact O-OG 3.41Å; E209-S212 WeakPolarHBondContact CA-OG 3.39Å; E209-S212 PolarHBondContact O-N 3.31Å; E209-S212 PolarHBondContact O-OG 2.85Å; S212-M214 VanDerWaalsContact C-N 3.26Å; S212-M214 PolarHBondContact O-N 3.4Å; S212-E215 PolarHBondContact O-N 3.09Å; S212-E216 WeakPolarHBondContact O-CB 3.49Å; S212-E216 PolarHBondContact O-N 3.43Å
213E73.7Confident64.2Low114 Ų114106.3 Ų106.353%0.53356%0.558SS.*Hα-helixtrans-61.2-37.2171.2-69-177.5147.200111.4E209 S217E209-E213 WeakPolarHBondContact O-CG 3.3Å; E209-E213 PolarHBondContact O-N 3.07Å; E213-S217 VanDerWaalsContact O-CB 3.27Å; E213-S217 WeakPolarHBondContact O-CB 3.36Å; E213-S217 PolarHBondContact O-N 3.47Å; E213-S217 PolarHBondContact O-OG 3.36Å
214M70.3Confident64Low119 Ų119104.9 Ų104.959%0.58656%0.555SS**Hα-helixtrans-70.1-38.6175.5-165.6-174.2-47.700112.5L210 L211 S212 S217 S218L210-M214 VanDerWaalsContact O-CB 3.3Å; L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 PolarHBondContact O-N 3.01Å; L211-M214 PolarHBondContact O-N 3.39Å; S212-M214 VanDerWaalsContact C-N 3.26Å; S212-M214 PolarHBondContact O-N 3.4Å; M214-S217 WeakPolarHBondContact CA-OG 3.25Å; M214-S217 PolarHBondContact O-OG 3.33Å; M214-S218 VanDerWaalsContact O-CB 3.27Å; M214-S218 WeakPolarHBondContact O-CB 3.47Å; M214-S218 PolarHBondContact O-N 2.84Å; M214-S218 PolarHBondContact O-OG 3.29Å
215E72.6Confident63.6Low135 Ų135108.9 Ų108.963%0.63157%0.568SS**Hα-helixtrans-67.5-48176.4-167.2163.8-155.300110.5L211 S212 S217 S218 E219L211-E215 WeakPolarHBondContact O-CB 3.33Å; L211-E215 PolarHBondContact O-N 2.92Å; S212-E215 PolarHBondContact O-N 3.09Å; E215-S217 PolarHBondContact O-N 3.35Å; E215-S218 WeakPolarHBondContact O-CB 3.36Å; E215-S218 PolarHBondContact O-N 3.42Å; E215-S218 VanDerWaalsContact O-N 3.09Å; E215-S218 PolarHBondContact O-OG 2.68Å; E215-E219 PolarHBondContact O-N 3.08Å
216E69.1Low63.1Low141 Ų141111.5 Ų111.566%0.65958%0.584SS**Hα-helixtrans-65.2-38.6179.1-169.3170.1-169.700112.8S212 S218 E219 T220S212-E216 WeakPolarHBondContact O-CB 3.49Å; S212-E216 PolarHBondContact O-N 3.43Å; E216-S218 VanDerWaalsContact C-N 3.35Å; E216-E219 PolarHBondContact O-N 3.35Å; E216-T220 PolarHBondContact O-N 3.44Å; E216-T220 PolarHBondContact O-OG1 3.37Å
217S63.9Low62.6Low69 Ų69111.9 Ų111.948%0.48359%0.589SS.*Hα-helixtrans-70.1-29.6171.8570000113E213 M214 E215 T220E213-S217 VanDerWaalsContact O-CB 3.27Å; E213-S217 WeakPolarHBondContact O-CB 3.36Å; E213-S217 PolarHBondContact O-N 3.47Å; E213-S217 PolarHBondContact O-OG 3.36Å; M214-S217 WeakPolarHBondContact CA-OG 3.25Å; M214-S217 PolarHBondContact O-OG 3.33Å; E215-S217 PolarHBondContact O-N 3.35Å; S217-T220 PolarHBondContact O-N 3.24Å
218S61.5Low61.8Low73 Ų73113 Ų11351%0.5160%0.598SS.*Hα-helixtrans-72.6-33.2174.379.70000113.4M214 E215 E216 T220M214-S218 VanDerWaalsContact O-CB 3.27Å; M214-S218 WeakPolarHBondContact O-CB 3.47Å; M214-S218 PolarHBondContact O-N 2.84Å; M214-S218 PolarHBondContact O-OG 3.29Å; E215-S218 WeakPolarHBondContact O-CB 3.36Å; E215-S218 PolarHBondContact O-N 3.42Å; E215-S218 VanDerWaalsContact O-N 3.09Å; E215-S218 PolarHBondContact O-OG 2.68Å; E216-S218 VanDerWaalsContact C-N 3.35Å; S218-T220 VanDerWaalsContact C-N 3.29Å
219E58.5Low60.7Low164 Ų164113.4 Ų113.477%0.76660%0.601SS**Hα-helixtrans-72.8-22.8173-68-157.2118.600112.6E215 E216 Y221E215-E219 PolarHBondContact O-N 3.08Å; E216-E219 PolarHBondContact O-N 3.35Å; E219-Y221 VanDerWaalsContact C-N 3.35Å
220T55.9Low59.8Low106 Ų106115.8 Ų115.865%0.6561%0.612SS**Hα-helixtrans-75-21.2178.8-58.20000113.2E216 S217 S218E216-T220 PolarHBondContact O-N 3.44Å; E216-T220 PolarHBondContact O-OG1 3.37Å; S217-T220 PolarHBondContact O-N 3.24Å; S218-T220 VanDerWaalsContact C-N 3.29Å
221Y51.4Low58.9Low187 Ų187120.1 Ų120.173%0.73363%0.627SS**SBendtrans-100.6109.2171.1-92.5-90.5000110.9E219 A223E219-Y221 VanDerWaalsContact C-N 3.35Å; Y221-A223 PolarHBondContact O-N 3.1Å
222P48.2Very low58.1Low74 Ų74122.6 Ų122.648%0.48164%0.636SS.*  trans-66.9124.4176.126.7-32000110.1D224 Y225P222-D224 PolarHBondContact O-N 3.02Å; P222-Y225 HydrophobicContact CG-CD2 3.96Å; P222-Y225 HydrophobicContact CG-CE2 3.85Å; P222-Y225 PolarHBondContact O-N 3.5Å
223A53.6Low57.4Low84 Ų84125 Ų12569%0.69465%0.65SS**THydrogen-bonded Turntrans-63.63-17700000115.5Y221 Y225Y221-A223 PolarHBondContact O-N 3.1Å; A223-Y225 VanDerWaalsContact C-N 3.3Å
224D49Very low57Low126 Ų126125.2 Ų125.267%0.67466%0.661SS**Hα-helixtrans-69.3-23.5171.8-93.5-35.5000113.2P222 D226 I227 A228P222-D224 PolarHBondContact O-N 3.02Å; D224-D226 PolarHBondContact O-N 2.93Å; D224-I227 PolarHBondContact O-N 3.12Å; D224-A228 PolarHBondContact O-N 2.72Å
225Y50.7Low57Low165 Ų165125.2 Ų125.265%0.64767%0.67SS**Hα-helixtrans-67.5-32.8-177.3-82.2-76.1000114.1P222 A223P222-Y225 HydrophobicContact CG-CD2 3.96Å; P222-Y225 HydrophobicContact CG-CE2 3.85Å; P222-Y225 PolarHBondContact O-N 3.5Å; A223-Y225 VanDerWaalsContact C-N 3.3Å
226D50.9Low56.8Low133 Ų133123.3 Ų123.371%0.71168%0.677SS**Hα-helixtrans-78-26.7179.1-88.2-42.7000113.4D224D224-D226 PolarHBondContact O-N 2.93Å
227I52.1Low56.1Low130 Ų130127.7 Ų127.767%0.66769%0.69SS**Hα-helixtrans-77.3-34.4178-63.6175.8000110.7D224D224-I227 PolarHBondContact O-N 3.12Å
228A49.8Very low55.7Low68 Ų68132.6 Ų132.656%0.56271%0.707SS**Hα-helixtrans-69.7-30.7179.800000113.9D224D224-A228 PolarHBondContact O-N 2.72Å
229N49Very low55.7Low112 Ų112138.5 Ų138.560%0.59974%0.743SS**Hα-helixtrans-89.2-12.5-172-94.7-17.6000115.6F231N229-F231 PolarHBondContact O-N 2.74Å
230Q53.3Low55.6Low174 Ų174137.2 Ų137.281%0.81374%0.742SS**THydrogen-bonded Turntrans-74.8-8.3177.4-75.1-164.4-9.100114.6
231F51.8Low55.6Low186 Ų186138.8 Ų138.882%0.81675%0.747SS**THydrogen-bonded Turntrans-115.411.8-171.6-101.5-79.7000115.9N229 P233N229-F231 PolarHBondContact O-N 2.74Å; F231-P233 WeakPolarHBondContact O-CD 3.26Å
232Q58.6Low55.8Low155 Ų155136.2 Ų136.272%0.72475%0.748SS**  trans-86.8108.5169-74.9-169.7-20.600110.7
233P62Low56.3Low110 Ų110139.8 Ų139.871%0.71476%0.764SS**PPolyproline II helixtrans-65.5147.7169.729.2-34.5000109.9F231F231-P233 WeakPolarHBondContact O-CD 3.26Å
234P64.8Low56.4Low118 Ų118143.3 Ų143.377%0.76677%0.768SS**PPolyproline II helixtrans-59.8145.8179.125.2-34.1000111A236P234-A236 PolarHBondContact O-N 3.14Å
235P70.2Confident56.9Low120 Ų120144.5 Ų144.578%0.77977%0.774SS**PPolyproline II helixtrans-59.9136.1-177.624.6-33.8000110.9Y237P235-Y237 PolarHBondContact O-N 3.34Å
236A67.8Low57.4Low94 Ų94143 Ų14378%0.77778%0.783SS**PPolyproline II helixtrans-62.9127.8178.700000110.6P234 M238P234-A236 PolarHBondContact O-N 3.14Å; A236-M238 PolarHBondContact O-N 3.43Å
237Y55.4Low57.8Low233 Ų233143.8 Ų143.891%0.91479%0.789SS**PPolyproline II helixtrans-64119.3171-76.3-88000109.6P235P235-Y237 PolarHBondContact O-N 3.34Å
238M55.2Low58.3Low173 Ų173144.9 Ų144.985%0.85280%0.799SS**PPolyproline II helixtrans-82.3145.4168.2-68-89.1-75.200109.1A236A236-M238 PolarHBondContact O-N 3.43Å
239P62.3Low59.1Low196 Ų196151.9 Ų151.9100%1.27382%0.821SS**  trans-73.30-179.432.3-36.7000113.6

Retrieved 239 of 239 residues in 987.5 ms (Link to these results)