A0A5K4FDH3_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 132 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
1M39.2Very low40.2Very low247 Ų247166.6 Ų166.6100%1.21780%0.799SS**  096.40-116.5163.6174.900108.8
2K35.6Very low40.2Very low214 Ų214164.1 Ų164.193%0.9378%0.782SS**  trans-99.6102-179.6-156.5156.9-176.6174.40107.4R4K2-R4 PolarHBondContact O-N 3.01Å
3R35Very low40Very low237 Ų237156.1 Ų156.189%0.89476%0.76SS**  trans-71.6108.1178.6-81.2-173.4-89.2178.6-4.8108.3I5R3-I5 PolarHBondContact O-N 3.21Å
4R36.4Very low40.2Very low245 Ų245151.4 Ų151.493%0.92574%0.741SS**  trans-68.8119.6165.8-81.6-169.7-157.9169.96.2107.7K2 S6K2-R4 PolarHBondContact O-N 3.01Å; R4-S6 PolarHBondContact O-N 3.15Å
5I43.7Very low40.2Very low134 Ų134148.3 Ų148.369%0.68772%0.722SS**  trans-82.6107165.2-61.4160.9000105.2R3 F7R3-I5 PolarHBondContact O-N 3.21Å; I5-F7 HydrophobicContact CB-CE2 4.35Å; I5-F7 HydrophobicContact CG2-CD2 3.9Å; I5-F7 HydrophobicContact CG2-CE1 4.45Å; I5-F7 HydrophobicContact CG2-CE2 3.49Å; I5-F7 VanDerWaalsContact CG2-CE2 3.49Å; I5-F7 HydrophobicContact CG2-CZ 3.81Å
6S38.9Very low40.4Very low105 Ų105143.8 Ų143.873%0.73471%0.706SS**  trans-89104.1173.2-161.70000107.6R4 H8R4-S6 PolarHBondContact O-N 3.15Å; S6-H8 PolarHBondContact O-N 3.02Å
7F41.7Very low40.5Very low164 Ų164140.1 Ų140.172%0.71970%0.697SS**  trans-72.5114.3171.1-74.1-85.9000108.1I5 H9I5-F7 HydrophobicContact CB-CE2 4.35Å; I5-F7 HydrophobicContact CG2-CD2 3.9Å; I5-F7 HydrophobicContact CG2-CE1 4.45Å; I5-F7 HydrophobicContact CG2-CE2 3.49Å; I5-F7 VanDerWaalsContact CG2-CE2 3.49Å; I5-F7 HydrophobicContact CG2-CZ 3.81Å; F7-H9 PolarHBondContact O-N 3.25Å
8H41.8Very low40.7Very low153 Ų153139.1 Ų139.171%0.70869%0.688SS**  trans-65.1118.4176.2-128.1-115.9000108.4S6 G10 V11S6-H8 PolarHBondContact O-N 3.02Å; H8-G10 PolarHBondContact O-N 2.99Å; H8-V11 PolarHBondContact O-N 3.24Å
9H43.9Very low40.9Very low174 Ų174135.6 Ų135.681%0.80668%0.675SS**THydrogen-bonded Turntrans-50.9-18178.9-167.1-106000113.8F7F7-H9 PolarHBondContact O-N 3.25Å
10G38.7Very low40.9Very low47 Ų47136.6 Ų136.649%0.48568%0.678SS.*Hα-helixtrans-71.2-22.1176.500000115.9H8 F12H8-G10 PolarHBondContact O-N 2.99Å; G10-F12 VanDerWaalsContact C-N 3.3Å; G10-F12 PolarHBondContact O-N 2.98Å
11V47Very low40.8Very low113 Ų113137.8 Ų137.869%0.68568%0.679SS**Hα-helixtrans-71.7-29.1180-177.60000111.4H8H8-V11 PolarHBondContact O-N 3.24Å
12F40.6Very low41.1Very low136 Ų136132.1 Ų132.160%0.59665%0.653SS**Hα-helixtrans-74.3-36.7-179.6-162.5-98.6000112.1G10 F15 T16 F120G10-F12 VanDerWaalsContact C-N 3.3Å; G10-F12 PolarHBondContact O-N 2.98Å; F12-F15 PolarHBondContact O-N 2.76Å; F12-T16 PolarHBondContact O-N 3.47Å; F12-T16 PolarHBondContact O-OG1 3.29Å; F12-T16 VanDerWaalsContact O-OG1 3.12Å; F12-F120 HydrophobicContact CE2-CE2 4.41Å; F12-F120 HydrophobicContact CE2-CZ 4.43Å
13A37.8Very low41.5Very low60 Ų60130.1 Ų130.150%0.49665%0.646SS.*Hα-helixtrans-74-33.1-177.300000114F15 T16 S17A13-F15 VanDerWaalsContact C-N 3.29Å; A13-T16 PolarHBondContact O-OG1 2.7Å; A13-S17 PolarHBondContact O-N 3.11Å
14D42.8Very low41.6Very low91 Ų91123.7 Ų123.749%0.48764%0.638SS.*Hα-helixtrans-69.5-30.8175.6-170.9-100.5000111.7K18D14-K18 PolarHBondContact O-N 3.39Å; D14-K18 WeakPolarHBondContact OD1-CE 3.36Å; D14-K18 IonicContact OD1-NZ 2.73Å; D14-K18 PolarHBondContact OD1-NZ 3.37Å; D14-K18 IonicContact OD2-NZ 3.79Å
15F40.7Very low41.7Very low105 Ų105116.4 Ų116.446%0.46162%0.624SS.*Hα-helixtrans-75.1-44.2-178.1-159.3-95.8000112.2F12 A13 S17 K18 V19 L116F12-F15 PolarHBondContact O-N 2.76Å; A13-F15 VanDerWaalsContact C-N 3.29Å; F15-S17 VanDerWaalsContact C-N 3.29Å; F15-S17 PolarHBondContact O-N 3.01Å; F15-K18 PolarHBondContact O-N 2.85Å; F15-V19 HydrophobicContact CD1-CG2 4.03Å; F15-V19 HydrophobicContact CE1-CG2 3.86Å; F15-V19 WeakPolarHBondContact O-CG2 3.36Å; F15-V19 PolarHBondContact O-N 2.76Å; F15-V19 VanDerWaalsContact O-N 3.14Å; F15-L116 HydrophobicContact CE2-CD2 4.28Å
16T43.3Very low41.6Very low75 Ų75120.9 Ų120.946%0.4663%0.633SS.*Hα-helixtrans-60.7-38.7175.828.10000112.2F12 A13 K18 V19 E20F12-T16 PolarHBondContact O-N 3.47Å; F12-T16 PolarHBondContact O-OG1 3.29Å; F12-T16 VanDerWaalsContact O-OG1 3.12Å; A13-T16 PolarHBondContact O-OG1 2.7Å; T16-K18 VanDerWaalsContact C-N 3.33Å; T16-K18 PolarHBondContact O-N 3.47Å; T16-V19 PolarHBondContact O-N 3.3Å; T16-E20 PolarHBondContact O-N 3.22Å
17S42Very low41.5Very low81 Ų81122 Ų12257%0.56664%0.638SS**Hα-helixtrans-69.8-28.9-179.7-152.60000113.2A13 F15A13-S17 PolarHBondContact O-N 3.11Å; F15-S17 VanDerWaalsContact C-N 3.29Å; F15-S17 PolarHBondContact O-N 3.01Å
18K42.7Very low41.5Very low123 Ų123122 Ų12254%0.53564%0.643SS.*Hα-helixtrans-80.6-29.4175.5-77.7174.1179.1154.70113.6D14 F15 T16 F21 I22D14-K18 PolarHBondContact O-N 3.39Å; D14-K18 WeakPolarHBondContact OD1-CE 3.36Å; D14-K18 IonicContact OD1-NZ 2.73Å; D14-K18 PolarHBondContact OD1-NZ 3.37Å; D14-K18 IonicContact OD2-NZ 3.79Å; F15-K18 PolarHBondContact O-N 2.85Å; T16-K18 VanDerWaalsContact C-N 3.33Å; T16-K18 PolarHBondContact O-N 3.47Å; K18-F21 PolarHBondContact O-N 2.94Å; K18-I22 WeakPolarHBondContact O-CG1 3.27Å; K18-I22 PolarHBondContact O-N 3.29Å
19V44.5Very low41.3Very low72 Ų72119.2 Ų119.244%0.43665%0.647SS.*Hα-helixtrans-69.6-39.8175.7176.30000110.7F15 T16 F21 I22 E23F15-V19 HydrophobicContact CD1-CG2 4.03Å; F15-V19 HydrophobicContact CE1-CG2 3.86Å; F15-V19 WeakPolarHBondContact O-CG2 3.36Å; F15-V19 PolarHBondContact O-N 2.76Å; F15-V19 VanDerWaalsContact O-N 3.14Å; T16-V19 PolarHBondContact O-N 3.3Å; V19-F21 VanDerWaalsContact C-N 3.28Å; V19-F21 PolarHBondContact O-N 3.41Å; V19-I22 PolarHBondContact O-N 2.94Å; V19-E23 PolarHBondContact O-N 3.39Å
20E41.9Very low40.9Very low155 Ų155114.3 Ų114.372%0.72464%0.643SS**Hα-helixtrans-64.9-29.6175.1-75.2-169132.900113.4T16T16-E20 PolarHBondContact O-N 3.22Å
21F38.9Very low40.9Very low163 Ų163118.2 Ų118.272%0.71566%0.663SS**Hα-helixtrans-73.6-27.7178.4-166-101.2000113.1K18 V19K18-F21 PolarHBondContact O-N 2.94Å; V19-F21 VanDerWaalsContact C-N 3.28Å; V19-F21 PolarHBondContact O-N 3.41Å
22I45.1Very low40.3Very low128 Ų128119 Ų11966%0.65667%0.668SS**Hα-helixtrans-82.7-27.8-177-64.7168.4000111.5K18 V19 S24K18-I22 WeakPolarHBondContact O-CG1 3.27Å; K18-I22 PolarHBondContact O-N 3.29Å; V19-I22 PolarHBondContact O-N 2.94Å; I22-S24 VanDerWaalsContact C-N 3.32Å; I22-S24 PolarHBondContact O-N 3.24Å
23E43.8Very low40.3Very low171 Ų171119.8 Ų119.880%0.79968%0.677SS**Hα-helixtrans-78.1-14.4-179.7-160.5149.8147.400114V19 S25V19-E23 PolarHBondContact O-N 3.39Å; E23-S25 VanDerWaalsContact C-N 3.32Å; E23-S25 PolarHBondContact O-N 2.86Å
24S36.7Very low40.4Very low103 Ų103122 Ų12272%0.7269%0.685SS**THydrogen-bonded Turntrans-79-12.1177.2-168.60000113.8I22 R26I22-S24 VanDerWaalsContact C-N 3.32Å; I22-S24 PolarHBondContact O-N 3.24Å; S24-R26 PolarHBondContact O-N 3.38Å
25S39.8Very low40.2Very low91 Ų91124 Ų12464%0.63670%0.7SS**  trans-94.575-175.5-59.10000111.9E23E23-S25 VanDerWaalsContact C-N 3.32Å; E23-S25 PolarHBondContact O-N 2.86Å
26R41Very low40.3Very low228 Ų228123.1 Ų123.186%0.8671%0.713SS**  trans-61.8132.4171.6-87.3-177.2171.7-175.4-2111.5S24S24-R26 PolarHBondContact O-N 3.38Å
27P37.1Very low40.1Very low129 Ų129125.3 Ų125.384%0.83873%0.731SS**  trans-84.7121.9179.932-30.2000111
28I40.8Very low40Very low164 Ų164126.7 Ų126.784%0.84174%0.741SS**  trans-94.3113.2171.9-65.5175.1000109
29A37.4Very low39.8Very low95 Ų95126.5 Ų126.579%0.78575%0.75SS**  trans23.1127.3143.700000120.3
30G37.2Very low39.9Very low70 Ų70130.3 Ų130.372%0.72277%0.766SS**  trans114.3106.3134.400000116.4
31S38.6Very low39.9Very low130 Ų130128.7 Ų128.791%0.90977%0.767SS**  173.1132.7116.7-83.10000112.3
32T34.3Very low40Very low128 Ų128126.4 Ų126.479%0.78577%0.771SS**  trans-76.6170.1-179.5-500000112.3
33I40.6Very low39.6Very low153 Ų153130 Ų13079%0.78578%0.782SS**  trans107.2138.9148.7-57.8172.6000115.1
34T39.3Very low39.9Very low107 Ų107127.3 Ų127.366%0.65678%0.78SS**  cis179.1146.4-14.8-75.50000108.5
35T37.7Very low40.3Very low133 Ų133128 Ų12882%0.81678%0.782SS**  trans59.5123.6149.5-60.40000124.7
36A43.1Very low40.3Very low87 Ų87129.8 Ų129.872%0.71978%0.784SS**  163.3136.7123.400000107.6
37S40Very low40.8Very low120 Ų120124 Ų12484%0.83978%0.777SS**  cis-159.7156.119-90.40000110.3
38S40.4Very low40.6Very low111 Ų111122.8 Ų122.878%0.77677%0.771SS**  trans-70.2160.2-177.9-23.50000115.5
39T37.2Very low40.6Very low119 Ų119119 Ų11973%0.7376%0.759SS**  170.1107.4123.4-72.90000111.8
40I48.1Very low40.9Very low151 Ų151121.4 Ų121.477%0.77476%0.757SS**  trans54.3138.3151.737175000120.4
41T40.7Very low41.3Very low122 Ų122124.8 Ų124.875%0.74876%0.758SS**  cis-167.8144.124.721.50000111.8
42S40.4Very low41.1Very low115 Ų115127.6 Ų127.680%0.80476%0.757SS**  trans67.5108.5148.663.60000124.2
43F36.8Very low41.7Very low202 Ų202126.1 Ų126.189%0.88675%0.748SS**  trans-72172154.7-74.7-87.7000112.3
44P51.5Low41.6Very low116 Ų116123.5 Ų123.575%0.75374%0.743SS**  cis-148.2-154.832.642.8-19.4000114.3
45P44.3Very low41.7Very low118 Ų118126.4 Ų126.477%0.76675%0.747SS**  cis-126.9174.5-22.728.4-5.1000115.2
46N39.3Very low42Very low127 Ų127123.8 Ų123.868%0.67973%0.731SS**  trans-54.7151.4179.7-174.223.4000117.2S48N46-S48 PolarHBondContact ND2-OG 3.45Å; N46-S48 VanDerWaalsContact ND2-OG 3.15Å; N46-S48 PolarHBondContact OD1-N 3.25Å
47P51.6Low42.4Very low108 Ų108127.9 Ų127.970%0.70174%0.735SS**  -138.4117.8126.434.9-19.7000114.2S49P47-S49 PolarHBondContact O-N 2.8Å
48S34.1Very low42.7Very low103 Ų103128 Ų12872%0.7273%0.726SS**  trans-69.799.8160.7-45.50000108.8N46N46-S48 PolarHBondContact ND2-OG 3.45Å; N46-S48 VanDerWaalsContact ND2-OG 3.15Å; N46-S48 PolarHBondContact OD1-N 3.25Å
49S40.5Very low43.2Very low84 Ų84127.4 Ų127.459%0.58771%0.714SS**  trans-179.2141.9162.359.30000111.6P47P47-S49 PolarHBondContact O-N 2.8Å
50I42.9Very low43.5Very low145 Ų145128.8 Ų128.874%0.74471%0.71SS**  trans82.591152.9-57.3149.1000115.2
51L46.2Very low43.5Very low141 Ų141127.8 Ų127.874%0.73871%0.706SS**  -176.288109.6-100.1143.8000109T53L51-T53 VanDerWaalsContact C-N 3.27Å; L51-T53 HydrophobicContact CB-CG2 4.46Å; L51-T53 HydrophobicContact CD2-CG2 4.44Å; L51-T53 PolarHBondContact O-N 3.49Å
52E35.1Very low43.6Very low190 Ų190130.9 Ų130.989%0.88870%0.704SS**  trans-60.796.4152.4-65.3175.1131.400106.7S54E52-S54 PolarHBondContact O-N 2.82Å
53T45.7Very low43.7Very low97 Ų97132.7 Ų132.760%0.59570%0.697SS**  trans-78.280.4169.655.80000107.4L51 F55L51-T53 VanDerWaalsContact C-N 3.27Å; L51-T53 HydrophobicContact CB-CG2 4.46Å; L51-T53 HydrophobicContact CD2-CG2 4.44Å; L51-T53 PolarHBondContact O-N 3.49Å; T53-F55 PolarHBondContact O-N 2.83Å
54S39.1Very low44.1Very low97 Ų97130.4 Ų130.468%0.67870%0.695SS**  trans-68.4108.8162.960.40000107.7E52 T56E52-S54 PolarHBondContact O-N 2.82Å; S54-T56 PolarHBondContact O-N 3.27Å
55F41.6Very low43.9Very low168 Ų168132.7 Ų132.774%0.73770%0.695SS**  trans-71107.9168.2-78.7-97.5000108.1T53T53-F55 PolarHBondContact O-N 2.83Å
56T43.7Very low43.9Very low78 Ų78130.5 Ų130.548%0.47968%0.676SS.*  trans-94.1142168.647.40000109.5S54 D58 D59S54-T56 PolarHBondContact O-N 3.27Å; T56-D58 PolarHBondContact O-N 3.33Å; T56-D59 PolarHBondContact O-N 2.92Å
57E51.3Low44.2Very low174 Ų174127.3 Ų127.381%0.81366%0.664SS**THydrogen-bonded Turntrans-62-9.7-170.1-61168.9116.800113.9
58D46.9Very low44.2Very low123 Ų123128 Ų12866%0.65867%0.667SS**THydrogen-bonded Turntrans-71.2-24.1176.9-69.8-68.7000115T56 F60 L61T56-D58 PolarHBondContact O-N 3.33Å; D58-F60 VanDerWaalsContact C-N 3.26Å; D58-F60 PolarHBondContact O-N 3.03Å; D58-L61 PolarHBondContact O-N 2.75Å
59D49.4Very low44.9Very low97 Ų97129 Ų12952%0.51966%0.66SS.*Hα-helixtrans-70.7-22177.2-93.6-48.7000113T56T56-D59 PolarHBondContact O-N 2.92Å
60F44.6Very low45.2Very low148 Ų148129 Ų12965%0.64966%0.656SS**Hα-helixtrans-73.6-29177.7-76.9-89.4000112.6D58 F63D58-F60 VanDerWaalsContact C-N 3.26Å; D58-F60 PolarHBondContact O-N 3.03Å; F60-F63 WeakPolarHBondContact O-CB 3.39Å; F60-F63 PolarHBondContact O-N 2.81Å
61L48Very low45.6Very low130 Ų130127.1 Ų127.168%0.68165%0.646SS**Hα-helixtrans-80.8-23.6179.7-67.5179.1000112.7D58 F63D58-L61 PolarHBondContact O-N 2.75Å; L61-F63 VanDerWaalsContact C-N 3.3Å
62R42.8Very low45.9Very low188 Ų188122.9 Ų122.971%0.70963%0.628SS**Hα-helixtrans-74.6-20.3171.8-161.9176.5-179.4-166.50.6112.9N64 Q65R62-N64 VanDerWaalsContact C-N 3.28Å; R62-N64 PolarHBondContact O-N 3.35Å; R62-Q65 PolarHBondContact O-N 3.44Å; R62-Q65 VanDerWaalsContact O-N 3.11Å
63F42.4Very low46.8Very low152 Ų152116.8 Ų116.867%0.66760%0.604SS**G310 helixtrans-66.5-27.1176.2-119.5-97.1000113.2F60 L61 Q65 I66F60-F63 WeakPolarHBondContact O-CB 3.39Å; F60-F63 PolarHBondContact O-N 2.81Å; L61-F63 VanDerWaalsContact C-N 3.3Å; F63-Q65 PolarHBondContact O-N 3.45Å; F63-I66 HydrophobicContact CB-CD1 4.05Å; F63-I66 HydrophobicContact CD1-CD1 3.11Å; F63-I66 HydrophobicContact CD1-CG1 4.48Å; F63-I66 HydrophobicContact CD2-CD1 3.82Å; F63-I66 HydrophobicContact CE1-CD1 3.28Å; F63-I66 HydrophobicContact CE2-CD1 3.97Å; F63-I66 HydrophobicContact CG-CD1 3.39Å; F63-I66 HydrophobicContact CZ-CD1 3.72Å; F63-I66 WeakPolarHBondContact O-CB 3.35Å; F63-I66 WeakPolarHBondContact O-CD1 3.18Å; F63-I66 WeakPolarHBondContact O-CG1 3.34Å; F63-I66 PolarHBondContact O-N 2.78Å
64N45.2Very low47Very low155 Ų155119 Ų11983%0.82961%0.605SS**G310 helixtrans-74-10.1174.3-95.8-20.5000113.6R62R62-N64 VanDerWaalsContact C-N 3.28Å; R62-N64 PolarHBondContact O-N 3.35Å
65Q46.3Very low47.6Very low164 Ų164123.2 Ų123.277%0.76661%0.607SS**G310 helixtrans-107.321.2175.3-144.1176.3700111.7R62 F63 S67R62-Q65 PolarHBondContact O-N 3.44Å; R62-Q65 VanDerWaalsContact O-N 3.11Å; F63-Q65 PolarHBondContact O-N 3.45Å; Q65-S67 PolarHBondContact O-N 3.32Å
66I45Very low48.3Very low72 Ų72122.6 Ų122.637%0.36961%0.606SS.*  trans-6791.9171-73.3165.9000108.2F63 T68 V70F63-I66 HydrophobicContact CB-CD1 4.05Å; F63-I66 HydrophobicContact CD1-CD1 3.11Å; F63-I66 HydrophobicContact CD1-CG1 4.48Å; F63-I66 HydrophobicContact CD2-CD1 3.82Å; F63-I66 HydrophobicContact CE1-CD1 3.28Å; F63-I66 HydrophobicContact CE2-CD1 3.97Å; F63-I66 HydrophobicContact CG-CD1 3.39Å; F63-I66 HydrophobicContact CZ-CD1 3.72Å; F63-I66 WeakPolarHBondContact O-CB 3.35Å; F63-I66 WeakPolarHBondContact O-CD1 3.18Å; F63-I66 WeakPolarHBondContact O-CG1 3.34Å; F63-I66 PolarHBondContact O-N 2.78Å; I66-T68 PolarHBondContact O-N 3.29Å; I66-V70 HydrophobicContact CG2-CB 4.46Å; I66-V70 HydrophobicContact CG2-CG2 3.96Å
67S46.6Very low48.8Very low60 Ų60122.1 Ų122.142%0.4261%0.605SS.*  trans-10.9117173.9-154.50000112.8Q65 H69 V70 I71Q65-S67 PolarHBondContact O-N 3.32Å; S67-H69 CarbonylContact O-C 3.59Å; S67-H69 PolarHBondContact O-N 2.77Å; S67-H69 VanDerWaalsContact OG-CB 3.27Å; S67-H69 WeakPolarHBondContact OG-CB 3.18Å; S67-V70 WeakPolarHBondContact O-CG2 3.42Å; S67-V70 PolarHBondContact O-N 3.39Å; S67-I71 PolarHBondContact O-N 3.44Å
68T50.5Low48.8Very low123 Ų123116.9 Ų116.976%0.75558%0.578SS**Hα-helixtrans-43.8-22.6161.846.50000112.4I66 S72I66-T68 PolarHBondContact O-N 3.29Å; T68-S72 VanDerWaalsContact O-CB 3.24Å; T68-S72 WeakPolarHBondContact O-CB 3.24Å; T68-S72 PolarHBondContact O-N 3.33Å; T68-S72 PolarHBondContact O-OG 3.35Å
69H48.2Very low49.1Very low124 Ų124116.9 Ų116.957%0.57457%0.574SS**Hα-helixtrans-70.1-37.4171.7-159.4-84.7000115.2S67 S72 T73S67-H69 CarbonylContact O-C 3.59Å; S67-H69 PolarHBondContact O-N 2.77Å; S67-H69 VanDerWaalsContact OG-CB 3.27Å; S67-H69 WeakPolarHBondContact OG-CB 3.18Å; H69-S72 WeakPolarHBondContact CA-OG 2.98Å; H69-S72 PolarHBondContact O-OG 3.47Å; H69-T73 WeakPolarHBondContact O-CB 3.13Å; H69-T73 PolarHBondContact O-N 2.89Å; H69-T73 PolarHBondContact O-OG1 3.27Å
70V48.4Very low49.6Very low84 Ų84115.5 Ų115.551%0.50957%0.571SS.*Hα-helixtrans-73.1-38.6173.5-135.90000109.6I66 S67 T73 F74I66-V70 HydrophobicContact CG2-CB 4.46Å; I66-V70 HydrophobicContact CG2-CG2 3.96Å; S67-V70 WeakPolarHBondContact O-CG2 3.42Å; S67-V70 PolarHBondContact O-N 3.39Å; V70-T73 PolarHBondContact O-N 2.81Å; V70-F74 WeakPolarHBondContact O-CB 3.37Å; V70-F74 PolarHBondContact O-N 2.93Å
71I51.6Low50.3Low105 Ų105112.8 Ų112.854%0.53856%0.562SS.*Hα-helixtrans-65.5-39.2174.9-62.5170000110.8S67 R75S67-I71 PolarHBondContact O-N 3.44Å; I71-R75 WeakPolarHBondContact O-CB 3.47Å; I71-R75 PolarHBondContact O-N 2.89Å
72S52Low50.8Low51 Ų51108.3 Ų108.336%0.35754%0.541SS..Hα-helixtrans-70.1-42.1177.468.80000112.2T68 H69 F74 R75 Q76T68-S72 VanDerWaalsContact O-CB 3.24Å; T68-S72 WeakPolarHBondContact O-CB 3.24Å; T68-S72 PolarHBondContact O-N 3.33Å; T68-S72 PolarHBondContact O-OG 3.35Å; H69-S72 WeakPolarHBondContact CA-OG 2.98Å; H69-S72 PolarHBondContact O-OG 3.47Å; S72-F74 VanDerWaalsContact C-N 3.34Å; S72-R75 PolarHBondContact O-N 2.84Å; S72-Q76 WeakPolarHBondContact O-CG 3.32Å; S72-Q76 PolarHBondContact O-N 3.47Å
73T52.8Low51.7Low62 Ų62105.7 Ų105.738%0.3854%0.537SS..Hα-helixtrans-63-44.4174.5-53.40000110.2H69 V70 R75 Q76 C77H69-T73 WeakPolarHBondContact O-CB 3.13Å; H69-T73 PolarHBondContact O-N 2.89Å; H69-T73 PolarHBondContact O-OG1 3.27Å; V70-T73 PolarHBondContact O-N 2.81Å; T73-R75 VanDerWaalsContact C-N 3.33Å; T73-R75 PolarHBondContact O-N 3.24Å; T73-Q76 PolarHBondContact O-N 3.2Å; T73-C77 PolarHBondContact O-N 2.83Å; T73-C77 PolarHBondContact O-SG 3.32Å; T73-C77 VanDerWaalsContact O-SG 3.41Å
74F51Low52.6Low143 Ų143101.5 Ų101.563%0.62753%0.527SS*.Hα-helixtrans-60.5-45.4175-157.6-93.2000110.4V70 S72 Q76 C77 Y78V70-F74 WeakPolarHBondContact O-CB 3.37Å; V70-F74 PolarHBondContact O-N 2.93Å; S72-F74 VanDerWaalsContact C-N 3.34Å; F74-Q76 VanDerWaalsContact C-N 3.32Å; F74-Q76 PolarHBondContact O-N 2.88Å; F74-C77 PolarHBondContact O-N 3.46Å; F74-Y78 HydrophobicContact CE1-CD2 4.06Å; F74-Y78 HydrophobicContact CE1-CG 4.49Å; F74-Y78 WeakPolarHBondContact O-CA 3.15Å; F74-Y78 WeakPolarHBondContact O-CB 3.43Å; F74-Y78 PolarHBondContact O-N 3.37Å
75R51.7Low53.1Low187 Ų18797.9 Ų97.971%0.70651%0.506SS*.Hα-helixtrans-63.1-35.7177.9-166-178.6166.7-167.5-5112.7I71 S72 T73 Q79I71-R75 WeakPolarHBondContact O-CB 3.47Å; I71-R75 PolarHBondContact O-N 2.89Å; S72-R75 PolarHBondContact O-N 2.84Å; T73-R75 VanDerWaalsContact C-N 3.33Å; T73-R75 PolarHBondContact O-N 3.24Å; R75-Q79 PolarHBondContact O-N 3.48Å
76Q55.6Low54Low155 Ų15594.6 Ų94.672%0.72450%0.497SS*.Hα-helixtrans-71.3-40.2175.5-76.3-163.1-18.400112.9S72 T73 F74 P80S72-Q76 WeakPolarHBondContact O-CG 3.32Å; S72-Q76 PolarHBondContact O-N 3.47Å; T73-Q76 PolarHBondContact O-N 3.2Å; F74-Q76 VanDerWaalsContact C-N 3.32Å; F74-Q76 PolarHBondContact O-N 2.88Å; Q76-P80 WeakPolarHBondContact O-CD 3.31Å
77C53.9Low54.9Low68 Ų6896.8 Ų96.846%0.45951%0.505SS..Hα-helixtrans-73.9-31.1175-65.10000112.2T73 F74 P80 I81T73-C77 PolarHBondContact O-N 2.83Å; T73-C77 PolarHBondContact O-SG 3.32Å; T73-C77 VanDerWaalsContact O-SG 3.41Å; F74-C77 PolarHBondContact O-N 3.46Å; C77-P80 VanDerWaalsContact O-CD 3.3Å; C77-P80 WeakPolarHBondContact O-CD 3.33Å; C77-P80 WeakPolarHBondContact O-CG 3.15Å; C77-I81 WeakPolarHBondContact O-CD1 3.39Å; C77-I81 WeakPolarHBondContact O-CG1 3.3Å
78Y51.2Low55.6Low63 Ų6398.1 Ų98.125%0.24751%0.507CS..Hα-helixtrans-75.1-28.6-174.4-168-108.1000113.1F74 I81 C82 I122F74-Y78 HydrophobicContact CE1-CD2 4.06Å; F74-Y78 HydrophobicContact CE1-CG 4.49Å; F74-Y78 WeakPolarHBondContact O-CA 3.15Å; F74-Y78 WeakPolarHBondContact O-CB 3.43Å; F74-Y78 PolarHBondContact O-N 3.37Å; Y78-I81 PolarHBondContact O-N 2.9Å; Y78-C82 WeakPolarHBondContact CD1-SG 2.91Å; Y78-C82 WeakPolarHBondContact CE1-SG 3.13Å; Y78-C82 WeakPolarHBondContact O-CB 3.21Å; Y78-C82 PolarHBondContact O-N 3.42Å; Y78-C82 PolarHBondContact O-SG 2.87Å; Y78-C82 PolarHBondContact OH-SG 2.92Å; Y78-I122 HydrophobicContact CE2-CD1 3.8Å; Y78-I122 HydrophobicContact CE2-CG1 4.25Å; Y78-I122 WeakPolarHBondContact OH-CD1 3.22Å; Y78-I122 WeakPolarHBondContact OH-CG1 3.4Å; Y78-I122 WeakPolarHBondContact OH-CG2 3.31Å
79Q54.4Low56Low123 Ų12395.3 Ų95.358%0.57549%0.487SS*.Hα-helixtrans-61.4-54.1178.6-158.3177.9-52.800113R75 I81 C82 E83R75-Q79 PolarHBondContact O-N 3.48Å; Q79-I81 VanDerWaalsContact C-N 3.33Å; Q79-I81 PolarHBondContact O-N 2.93Å; Q79-C82 PolarHBondContact O-N 3.36Å; Q79-E83 PolarHBondContact O-N 3.43Å
80P58.9Low56.6Low69 Ų6991.9 Ų91.945%0.44848%0.477SS..Hα-helixtrans-67.7-32176.727-35.1000112.7Q76 C77 S84Q76-P80 WeakPolarHBondContact O-CD 3.31Å; C77-P80 VanDerWaalsContact O-CD 3.3Å; C77-P80 WeakPolarHBondContact O-CD 3.33Å; C77-P80 WeakPolarHBondContact O-CG 3.15Å; P80-S84 VanDerWaalsContact O-CB 3.32Å; P80-S84 WeakPolarHBondContact O-CB 3.47Å; P80-S84 PolarHBondContact O-N 3.42Å; P80-S84 PolarHBondContact O-OG 3.42Å
81I60.4Low56.9Low91 Ų9192.8 Ų92.847%0.46748%0.476SS..Hα-helixtrans-67-43176.3-66.5168.3000110.2C77 Y78 Q79 S84 M85C77-I81 WeakPolarHBondContact O-CD1 3.39Å; C77-I81 WeakPolarHBondContact O-CG1 3.3Å; Y78-I81 PolarHBondContact O-N 2.9Å; Q79-I81 VanDerWaalsContact C-N 3.33Å; Q79-I81 PolarHBondContact O-N 2.93Å; I81-S84 PolarHBondContact O-N 2.84Å; I81-M85 HydrophobicContact CG2-CG 4.28Å; I81-M85 WeakPolarHBondContact O-CB 3.34Å; I81-M85 WeakPolarHBondContact O-CG 3.24Å; I81-M85 PolarHBondContact O-N 3.43Å
82C57.9Low57Low35 Ų3591.9 Ų91.924%0.23648%0.475CS..Hα-helixtrans-62-46.9174.5-84.40000112.6Y78 Q79 S84 M85 V86Y78-C82 WeakPolarHBondContact CD1-SG 2.91Å; Y78-C82 WeakPolarHBondContact CE1-SG 3.13Å; Y78-C82 WeakPolarHBondContact O-CB 3.21Å; Y78-C82 PolarHBondContact O-N 3.42Å; Y78-C82 PolarHBondContact O-SG 2.87Å; Y78-C82 PolarHBondContact OH-SG 2.92Å; Q79-C82 PolarHBondContact O-N 3.36Å; C82-S84 VanDerWaalsContact C-N 3.28Å; C82-S84 PolarHBondContact O-N 3.33Å; C82-M85 PolarHBondContact O-N 3.09Å; C82-V86 WeakPolarHBondContact O-CB 2.94Å; C82-V86 VanDerWaalsContact O-CG2 3.24Å; C82-V86 WeakPolarHBondContact O-CG2 3.38Å; C82-V86 PolarHBondContact O-N 3.47Å
83E60.8Low57.2Low133 Ų13394.8 Ų94.862%0.62148%0.483SS*.Hα-helixtrans-59.5-43.7176.6-74.8-170.5171.700110.7Q79 M85 V86 E87Q79-E83 PolarHBondContact O-N 3.43Å; E83-M85 PolarHBondContact O-N 3.49Å; E83-V86 PolarHBondContact O-N 3.3Å; E83-E87 WeakPolarHBondContact O-CB 3.38Å; E83-E87 PolarHBondContact O-N 3.42Å
84S61.9Low57Low65 Ų6598.8 Ų98.846%0.45549%0.494SS..Hα-helixtrans-63.3-40.4176-580000112.6P80 I81 C82 E87 L88P80-S84 VanDerWaalsContact O-CB 3.32Å; P80-S84 WeakPolarHBondContact O-CB 3.47Å; P80-S84 PolarHBondContact O-N 3.42Å; P80-S84 PolarHBondContact O-OG 3.42Å; I81-S84 PolarHBondContact O-N 2.84Å; C82-S84 VanDerWaalsContact C-N 3.28Å; C82-S84 PolarHBondContact O-N 3.33Å; S84-E87 PolarHBondContact O-N 3.33Å; S84-L88 WeakPolarHBondContact O-CB 3.26Å; S84-L88 PolarHBondContact O-N 3.19Å
85M56.1Low57Low78 Ų7895.9 Ų95.938%0.38449%0.489SS..Hα-helixtrans-69.9-39.6177.4-71.1-60.1100.800111.7I81 C82 E83 L88 I89I81-M85 HydrophobicContact CG2-CG 4.28Å; I81-M85 WeakPolarHBondContact O-CB 3.34Å; I81-M85 WeakPolarHBondContact O-CG 3.24Å; I81-M85 PolarHBondContact O-N 3.43Å; C82-M85 PolarHBondContact O-N 3.09Å; E83-M85 PolarHBondContact O-N 3.49Å; M85-L88 HydrophobicContact CE-CD2 4.18Å; M85-L88 PolarHBondContact O-N 3.15Å; M85-L88 HydrophobicContact SD-CD2 4.35Å; M85-I89 WeakPolarHBondContact O-CB 3.45Å; M85-I89 VanDerWaalsContact O-CD1 3.27Å; M85-I89 WeakPolarHBondContact O-CD1 3.41Å; M85-I89 WeakPolarHBondContact O-CG1 3.27Å; M85-I89 PolarHBondContact O-N 3.48Å
86V64.6Low56.6Low95 Ų9594 Ų9458%0.57649%0.486SS*.Hα-helixtrans-66-39.7174.7171.10000110.7C82 E83 I89 S90C82-V86 WeakPolarHBondContact O-CB 2.94Å; C82-V86 VanDerWaalsContact O-CG2 3.24Å; C82-V86 WeakPolarHBondContact O-CG2 3.38Å; C82-V86 PolarHBondContact O-N 3.47Å; E83-V86 PolarHBondContact O-N 3.3Å; V86-I89 PolarHBondContact O-N 2.86Å; V86-S90 WeakPolarHBondContact O-CB 3.28Å; V86-S90 PolarHBondContact O-N 2.8Å
87E63.9Low56.4Low119 Ų11994.9 Ų94.956%0.55649%0.49SS*.Hα-helixtrans-64.3-44.2174.4-173.1169.4-16600111.3E83 S84 I89 S90 Q91E83-E87 WeakPolarHBondContact O-CB 3.38Å; E83-E87 PolarHBondContact O-N 3.42Å; S84-E87 PolarHBondContact O-N 3.33Å; E87-I89 PolarHBondContact O-N 2.82Å; E87-S90 WeakPolarHBondContact O-CB 3.25Å; E87-S90 PolarHBondContact O-N 2.83Å; E87-S90 VanDerWaalsContact O-N 3.15Å; E87-Q91 WeakPolarHBondContact O-CG 3.36Å; E87-Q91 PolarHBondContact O-N 3.4Å
88L61.9Low56.2Low88 Ų8899.8 Ų99.846%0.46151%0.505SS..Hα-helixtrans-57.8-49.4173.2179.365000111.1S84 M85 S90 Q91 V92S84-L88 WeakPolarHBondContact O-CB 3.26Å; S84-L88 PolarHBondContact O-N 3.19Å; M85-L88 HydrophobicContact CE-CD2 4.18Å; M85-L88 PolarHBondContact O-N 3.15Å; M85-L88 HydrophobicContact SD-CD2 4.35Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.48Å; L88-Q91 PolarHBondContact O-N 3.48Å; L88-V92 HydrophobicContact CD1-CG2 4.47Å; L88-V92 VanDerWaalsContact O-CG2 3.3Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.88Å
89I58.9Low56.1Low63 Ų63103.2 Ų103.232%0.32352%0.522SS..Hα-helixtrans-60.9-38.9176.8-69.1159.6000110.6M85 V86 E87 V92 H93 F119M85-I89 WeakPolarHBondContact O-CB 3.45Å; M85-I89 VanDerWaalsContact O-CD1 3.27Å; M85-I89 WeakPolarHBondContact O-CD1 3.41Å; M85-I89 WeakPolarHBondContact O-CG1 3.27Å; M85-I89 PolarHBondContact O-N 3.48Å; V86-I89 PolarHBondContact O-N 2.86Å; E87-I89 PolarHBondContact O-N 2.82Å; I89-V92 PolarHBondContact O-N 3.37Å; I89-H93 WeakPolarHBondContact CG2-CE1 3.31Å; I89-H93 WeakPolarHBondContact CG2-ND1 3.48Å; I89-H93 WeakPolarHBondContact O-CB 3.34Å; I89-H93 VanDerWaalsContact O-CG 3.31Å; I89-H93 PolarHBondContact O-N 2.86Å; I89-H93 PolarHBondContact O-ND1 2.76Å; I89-F119 HydrophobicContact CD1-CD2 4.49Å; I89-F119 HydrophobicContact CD1-CE2 4.07Å
90S60.4Low55.7Low52 Ų52101.2 Ų101.236%0.36454%0.535SS..Hα-helixtrans-65.9-41.1176-1710000112V86 E87 L88 H93 K94V86-S90 WeakPolarHBondContact O-CB 3.28Å; V86-S90 PolarHBondContact O-N 2.8Å; E87-S90 WeakPolarHBondContact O-CB 3.25Å; E87-S90 PolarHBondContact O-N 2.83Å; E87-S90 VanDerWaalsContact O-N 3.15Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.48Å; S90-H93 PolarHBondContact O-N 2.81Å; S90-K94 WeakPolarHBondContact O-CG 3.11Å; S90-K94 PolarHBondContact O-N 3.12Å
91Q54.7Low55.2Low104 Ų104103.8 Ų103.849%0.48654%0.543SS..Hα-helixtrans-67.1-39.5176.3-72.3-175.61500112E87 L88 K94 T95E87-Q91 WeakPolarHBondContact O-CG 3.36Å; E87-Q91 PolarHBondContact O-N 3.4Å; L88-Q91 PolarHBondContact O-N 3.48Å; Q91-K94 PolarHBondContact O-N 3.07Å; Q91-T95 WeakPolarHBondContact O-CB 3.43Å; Q91-T95 PolarHBondContact O-N 3.25Å; Q91-T95 PolarHBondContact O-OG1 3.29Å
92V53.7Low54.9Low85 Ų85107.9 Ų107.952%0.51557%0.566SS.*Hα-helixtrans-64.5-40.9174.4173.40000110.7L88 I89 T95 K96L88-V92 HydrophobicContact CD1-CG2 4.47Å; L88-V92 VanDerWaalsContact O-CG2 3.3Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.88Å; I89-V92 PolarHBondContact O-N 3.37Å; V92-T95 PolarHBondContact O-N 2.94Å; V92-K96 PolarHBondContact O-N 2.95Å; V92-K96 VanDerWaalsContact O-N 3.13Å
93H57.2Low54.7Low113 Ų113107.9 Ų107.952%0.52357%0.572SS.*Hα-helixtrans-66.6-34.2173.5-73.4128.3000113.6I89 S90 K96I89-H93 WeakPolarHBondContact CG2-CE1 3.31Å; I89-H93 WeakPolarHBondContact CG2-ND1 3.48Å; I89-H93 WeakPolarHBondContact O-CB 3.34Å; I89-H93 VanDerWaalsContact O-CG 3.31Å; I89-H93 PolarHBondContact O-N 2.86Å; I89-H93 PolarHBondContact O-ND1 2.76Å; S90-H93 PolarHBondContact O-N 2.81Å; H93-K96 WeakPolarHBondContact O-CB 3.25Å
94K48.5Very low54.3Low145 Ų145107.1 Ų107.163%0.6358%0.579SS**Hα-helixtrans-71.7-35.7174.2-75.8177.2179.21780112.4S90 Q91 K96 E97S90-K94 WeakPolarHBondContact O-CG 3.11Å; S90-K94 PolarHBondContact O-N 3.12Å; Q91-K94 PolarHBondContact O-N 3.07Å; K94-K96 VanDerWaalsContact C-N 3.25Å; K94-K96 PolarHBondContact O-N 2.87Å; K94-E97 PolarHBondContact O-N 3.22Å
95T49.8Very low53.8Low82 Ų82110.7 Ų110.750%0.50359%0.591SS.*Hα-helixtrans-68.8-28.6177.5-54.20000111.3Q91 V92 E97 H98 F99Q91-T95 WeakPolarHBondContact O-CB 3.43Å; Q91-T95 PolarHBondContact O-N 3.25Å; Q91-T95 PolarHBondContact O-OG1 3.29Å; V92-T95 PolarHBondContact O-N 2.94Å; T95-E97 VanDerWaalsContact C-N 3.32Å; T95-E97 PolarHBondContact O-N 2.84Å; T95-H98 PolarHBondContact O-N 2.82Å; T95-F99 HydrophobicContact CG2-CD2 4.19Å; T95-F99 HydrophobicContact CG2-CE2 4.29Å
96K44.6Very low53.6Low149 Ų149112.4 Ų112.465%0.64861%0.606SS**THydrogen-bonded Turntrans-63.7-26.2174164.8-176.9168.7179.60114.3V92 H93 K94V92-K96 PolarHBondContact O-N 2.95Å; V92-K96 VanDerWaalsContact O-N 3.13Å; H93-K96 WeakPolarHBondContact O-CB 3.25Å; K94-K96 VanDerWaalsContact C-N 3.25Å; K94-K96 PolarHBondContact O-N 2.87Å
97E50.9Low53Low173 Ų173112.1 Ų112.181%0.80860%0.604SS**THydrogen-bonded Turntrans-88.9-10.7178.8-81.6-173.2138.600114.1K94 T95K94-E97 PolarHBondContact O-N 3.22Å; T95-E97 VanDerWaalsContact C-N 3.32Å; T95-E97 PolarHBondContact O-N 2.84Å
98H50.4Low52.4Low170 Ų170115.4 Ų115.479%0.78762%0.619SS**THydrogen-bonded Turntrans-99.5-13.4-178.6-109.360.5000114.9T95T95-H98 PolarHBondContact O-N 2.82Å
99F47.8Very low51.8Low135 Ų135114.2 Ų114.259%0.59262%0.618SS**SBendtrans-120.888.8175.2-70.2-84.3000107.6T95 I101T95-F99 HydrophobicContact CG2-CD2 4.19Å; T95-F99 HydrophobicContact CG2-CE2 4.29Å; F99-I101 HydrophobicContact CB-CD1 3.69Å; F99-I101 HydrophobicContact CB-CG1 3.99Å; F99-I101 HydrophobicContact CD1-CD1 4.5Å; F99-I101 HydrophobicContact CG-CD1 4.43Å; F99-I101 PolarHBondContact O-N 3.06Å
100G47Very low51.6Low82 Ų82119.6 Ų119.685%0.84564%0.644SS**  trans-58.464.5177.100000113.4
101I48.7Very low51.4Low123 Ų123125.2 Ų125.263%0.63166%0.658SS**  trans-105.791.8-174.9-61.6172.3000105.3F99 G103F99-I101 HydrophobicContact CB-CD1 3.69Å; F99-I101 HydrophobicContact CB-CG1 3.99Å; F99-I101 HydrophobicContact CD1-CD1 4.5Å; F99-I101 HydrophobicContact CG-CD1 4.43Å; F99-I101 PolarHBondContact O-N 3.06Å; I101-G103 PolarHBondContact O-N 3.07Å
102D52.9Low51.8Low177 Ų177123.3 Ų123.395%0.94765%0.653SS**  trans-64.163.2158.9-72.8-62.4000109.8
103G53.5Low52.3Low34 Ų34124.9 Ų124.935%0.35166%0.658SS.*SBendtrans-156.3144.9-176.300000112.5I101 I105I101-G103 PolarHBondContact O-N 3.07Å; G103-I105 PolarHBondContact O-N 3.3Å
104P52.4Low52.9Low118 Ų118125 Ų12577%0.76666%0.658SS**  trans-62.5131.4-176.625.2-33.3000111.2T106P104-T106 PolarHBondContact O-N 3.31Å
105I52.9Low54Low139 Ų139122.5 Ų122.571%0.71365%0.65SS**  trans-70.296.9174.2-53.2175.7000107.9G103 V107G103-I105 PolarHBondContact O-N 3.3Å; I105-V107 VanDerWaalsContact C-N 3.34Å; I105-V107 HydrophobicContact CG2-CG2 3.48Å; I105-V107 VanDerWaalsContact CG2-CG2 3.48Å; I105-V107 PolarHBondContact O-N 2.92Å; I105-V107 VanDerWaalsContact O-N 3.07Å
106T52Low55.2Low114 Ų114122.8 Ų122.870%0.69965%0.648SS**  trans-80.97817644.70000110.5P104 H108P104-T106 PolarHBondContact O-N 3.31Å; T106-H108 PolarHBondContact O-N 3.3Å; T106-H108 VanDerWaalsContact O-N 3.12Å
107V50.4Low56.7Low89 Ų89121.8 Ų121.854%0.53964%0.644SS.*  trans-82.888.9170.7-165.20000109.3I105 C109 V112I105-V107 VanDerWaalsContact C-N 3.34Å; I105-V107 HydrophobicContact CG2-CG2 3.48Å; I105-V107 VanDerWaalsContact CG2-CG2 3.48Å; I105-V107 PolarHBondContact O-N 2.92Å; I105-V107 VanDerWaalsContact O-N 3.07Å; V107-C109 HydrophobicContact CG1-CB 4.34Å; V107-C109 PolarHBondContact O-N 3.49Å; V107-V112 HydrophobicContact CB-CG2 3.82Å; V107-V112 HydrophobicContact CG1-CG2 3.36Å
108H52Low57.9Low188 Ų188117 Ų11787%0.8762%0.623SS**  trans-70.777.6169.3-99.7-99.6000110.5T106T106-H108 PolarHBondContact O-N 3.3Å; T106-H108 VanDerWaalsContact O-N 3.12Å
109C50.3Low59.1Low64 Ų64113.3 Ų113.343%0.43261%0.605SS.*  trans-142.4120.6168.4-135.90000108V107 Y111 V112V107-C109 HydrophobicContact CG1-CB 4.34Å; V107-C109 PolarHBondContact O-N 3.49Å; C109-Y111 PolarHBondContact O-N 3.44Å; C109-V112 HydrophobicContact CB-CG2 3.93Å; C109-V112 PolarHBondContact O-N 2.79Å
110M53.7Low60.5Low176 Ų176112 Ų11287%0.86760%0.599SS**Hα-helixtrans-54.3-14.8175-63.1-145.685.700112.8
111Y57.2Low61.8Low169 Ų169110.3 Ų110.366%0.66357%0.574SS**Hα-helixtrans-81.1-19.3176-56.6-76.8000114.6C109 L113 F114 I115C109-Y111 PolarHBondContact O-N 3.44Å; Y111-L113 PolarHBondContact O-N 3.25Å; Y111-F114 WeakPolarHBondContact O-CB 3.41Å; Y111-F114 PolarHBondContact O-N 3.38Å; Y111-I115 VanDerWaalsContact O-CG1 3.27Å; Y111-I115 WeakPolarHBondContact O-CG1 3.39Å; Y111-I115 PolarHBondContact O-N 3.38Å
112V61.7Low63.1Low64 Ų64106.9 Ų106.939%0.38856%0.557SS.*Hα-helixtrans-65.9-42-178.6178.80000111.2V107 C109 F114 I115 L116V107-V112 HydrophobicContact CB-CG2 3.82Å; V107-V112 HydrophobicContact CG1-CG2 3.36Å; C109-V112 HydrophobicContact CB-CG2 3.93Å; C109-V112 PolarHBondContact O-N 2.79Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.88Å; V112-I115 PolarHBondContact O-N 3.26Å; V112-L116 VanDerWaalsContact O-CB 3.31Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 2.91Å
113L65.1Low64.2Low118 Ų118101.5 Ų101.562%0.61853%0.527SS*.Hα-helixtrans-61.7-41.2173.9-88148.4000111.3Y111 L116 F117Y111-L113 PolarHBondContact O-N 3.25Å; L113-L116 PolarHBondContact O-N 3.38Å; L113-F117 WeakPolarHBondContact O-CB 3.35Å; L113-F117 PolarHBondContact O-N 3.38Å
114F68.9Low65.1Low117 Ų117104.7 Ų104.751%0.51354%0.536SS..Hα-helixtrans-63.2-45176.2-179.1-104000111.7Y111 V112 F117 L118Y111-F114 WeakPolarHBondContact O-CB 3.41Å; Y111-F114 PolarHBondContact O-N 3.38Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.88Å; F114-F117 PolarHBondContact O-N 3.31Å; F114-L118 HydrophobicContact CD1-CD1 3.84Å; F114-L118 HydrophobicContact CD1-CG 4.4Å; F114-L118 HydrophobicContact CE1-CD1 3.32Å; F114-L118 HydrophobicContact CE1-CG 4.09Å; F114-L118 HydrophobicContact CE2-CD1 4.44Å; F114-L118 HydrophobicContact CE2-CG 4.4Å; F114-L118 HydrophobicContact CZ-CD1 3.67Å; F114-L118 HydrophobicContact CZ-CD2 4.26Å; F114-L118 HydrophobicContact CZ-CG 4.08Å; F114-L118 WeakPolarHBondContact O-CB 3.3Å; F114-L118 VanDerWaalsContact O-CG 3.31Å; F114-L118 WeakPolarHBondContact O-CG 3.27Å; F114-L118 PolarHBondContact O-N 3.43Å
115I72.3Confident66.1Low91 Ų91106.3 Ų106.347%0.46753%0.531SS..Hα-helixtrans-67.4-41.5178.2-62.2-59.7000111.5Y111 V112 F117 L118 F119Y111-I115 VanDerWaalsContact O-CG1 3.27Å; Y111-I115 WeakPolarHBondContact O-CG1 3.39Å; Y111-I115 PolarHBondContact O-N 3.38Å; V112-I115 PolarHBondContact O-N 3.26Å; I115-F117 VanDerWaalsContact C-N 3.35Å; I115-L118 PolarHBondContact O-N 2.95Å; I115-F119 WeakPolarHBondContact O-CB 3.35Å; I115-F119 PolarHBondContact O-N 3.38Å
116L75.1Confident66.6Low88 Ų88104.4 Ų104.446%0.46152%0.522SS..Hα-helixtrans-64.8-40175.3-174.765000111.5F15 V112 L113 F119 F120F15-L116 HydrophobicContact CE2-CD2 4.28Å; V112-L116 VanDerWaalsContact O-CB 3.31Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 PolarHBondContact O-N 2.91Å; L113-L116 PolarHBondContact O-N 3.38Å; L116-F119 PolarHBondContact O-N 3.14Å; L116-F120 WeakPolarHBondContact O-CB 3.41Å; L116-F120 PolarHBondContact O-N 3.27Å
117F75.4Confident67.3Low129 Ų129103.2 Ų103.257%0.56651%0.514SS*.Hα-helixtrans-64-46.4175.8-179.3-96.8000111.2L113 F114 I115 F119 F120 C121L113-F117 WeakPolarHBondContact O-CB 3.35Å; L113-F117 PolarHBondContact O-N 3.38Å; F114-F117 PolarHBondContact O-N 3.31Å; I115-F117 VanDerWaalsContact C-N 3.35Å; F117-F119 VanDerWaalsContact C-N 3.32Å; F117-F119 PolarHBondContact O-N 3.45Å; F117-F120 PolarHBondContact O-N 3.44Å; F117-C121 WeakPolarHBondContact CE1-SG 3.38Å; F117-C121 VanDerWaalsContact CZ-SG 3.52Å; F117-C121 WeakPolarHBondContact O-CB 3.13Å; F117-C121 PolarHBondContact O-N 3.13Å; F117-C121 PolarHBondContact O-SG 2.91Å; F117-C121 VanDerWaalsContact O-SG 3.33Å
118L75.9Confident67.7Low71 Ų71102.9 Ų102.937%0.37252%0.516SS..Hα-helixtrans-58.3-46.5174.2-73.5178.7000111.1F114 I115 F120 C121 I122F114-L118 HydrophobicContact CD1-CD1 3.84Å; F114-L118 HydrophobicContact CD1-CG 4.4Å; F114-L118 HydrophobicContact CE1-CD1 3.32Å; F114-L118 HydrophobicContact CE1-CG 4.09Å; F114-L118 HydrophobicContact CE2-CD1 4.44Å; F114-L118 HydrophobicContact CE2-CG 4.4Å; F114-L118 HydrophobicContact CZ-CD1 3.67Å; F114-L118 HydrophobicContact CZ-CD2 4.26Å; F114-L118 HydrophobicContact CZ-CG 4.08Å; F114-L118 WeakPolarHBondContact O-CB 3.3Å; F114-L118 VanDerWaalsContact O-CG 3.31Å; F114-L118 WeakPolarHBondContact O-CG 3.27Å; F114-L118 PolarHBondContact O-N 3.43Å; I115-L118 PolarHBondContact O-N 2.95Å; L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 PolarHBondContact O-N 2.97Å; L118-C121 PolarHBondContact O-N 3.26Å; L118-I122 WeakPolarHBondContact O-CB 3.33Å; L118-I122 VanDerWaalsContact O-CD1 3.28Å; L118-I122 WeakPolarHBondContact O-CD1 3.44Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.39Å; L118-I122 PolarHBondContact O-N 3.39Å
119F76.8Confident67.9Low93 Ų9399.1 Ų99.141%0.40851%0.506SS..Hα-helixtrans-58.4-45.6176.8-172.6-95.7000111.7I89 I115 L116 F117 I122 I123I89-F119 HydrophobicContact CD1-CD2 4.49Å; I89-F119 HydrophobicContact CD1-CE2 4.07Å; I115-F119 WeakPolarHBondContact O-CB 3.35Å; I115-F119 PolarHBondContact O-N 3.38Å; L116-F119 PolarHBondContact O-N 3.14Å; F117-F119 VanDerWaalsContact C-N 3.32Å; F117-F119 PolarHBondContact O-N 3.45Å; F119-I122 PolarHBondContact O-N 3.39Å; F119-I123 HydrophobicContact CD1-CD1 4.35Å; F119-I123 HydrophobicContact CD1-CG1 3.98Å; F119-I123 HydrophobicContact CE1-CD1 3.61Å; F119-I123 HydrophobicContact CE1-CG1 3.75Å; F119-I123 HydrophobicContact CZ-CD1 3.74Å; F119-I123 HydrophobicContact CZ-CG1 4.15Å; F119-I123 WeakPolarHBondContact O-CG1 3.47Å; F119-I123 PolarHBondContact O-N 2.83Å
120F75.7Confident68.2Low107 Ų107101.7 Ų101.747%0.46952%0.52SS..Hα-helixtrans-64.6-44.2177.6-168.8-95.5000112.2F12 L116 F117 L118 I122 I123 L124F12-F120 HydrophobicContact CE2-CE2 4.41Å; F12-F120 HydrophobicContact CE2-CZ 4.43Å; L116-F120 WeakPolarHBondContact O-CB 3.41Å; L116-F120 PolarHBondContact O-N 3.27Å; F117-F120 PolarHBondContact O-N 3.44Å; L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 PolarHBondContact O-N 2.97Å; F120-I122 VanDerWaalsContact C-N 3.33Å; F120-I122 PolarHBondContact O-N 3.22Å; F120-I123 PolarHBondContact O-N 2.73Å; F120-L124 HydrophobicContact CE1-CD1 3.76Å; F120-L124 HydrophobicContact CZ-CD1 4.17Å; F120-L124 WeakPolarHBondContact O-CB 3.39Å; F120-L124 PolarHBondContact O-N 3.35Å
121C75.1Confident67.9Low47 Ų47100.3 Ų100.332%0.31852%0.516SS..Hα-helixtrans-60.7-42.1176.5-750000112.1F117 L118 L124 K125F117-C121 WeakPolarHBondContact CE1-SG 3.38Å; F117-C121 VanDerWaalsContact CZ-SG 3.52Å; F117-C121 WeakPolarHBondContact O-CB 3.13Å; F117-C121 PolarHBondContact O-N 3.13Å; F117-C121 PolarHBondContact O-SG 2.91Å; F117-C121 VanDerWaalsContact O-SG 3.33Å; L118-C121 PolarHBondContact O-N 3.26Å; C121-L124 PolarHBondContact O-N 3.26Å; C121-K125 WeakPolarHBondContact O-CB 3.42Å; C121-K125 WeakPolarHBondContact O-CG 3.09Å; C121-K125 PolarHBondContact O-N 3.45Å
122I75Confident67.2Low51 Ų51105.7 Ų105.726%0.26254%0.537SS..Hα-helixtrans-60.8-51.4174.4-77.1157000110.1Y78 L118 F119 F120 L124 K125 L126Y78-I122 HydrophobicContact CE2-CD1 3.8Å; Y78-I122 HydrophobicContact CE2-CG1 4.25Å; Y78-I122 WeakPolarHBondContact OH-CD1 3.22Å; Y78-I122 WeakPolarHBondContact OH-CG1 3.4Å; Y78-I122 WeakPolarHBondContact OH-CG2 3.31Å; L118-I122 WeakPolarHBondContact O-CB 3.33Å; L118-I122 VanDerWaalsContact O-CD1 3.28Å; L118-I122 WeakPolarHBondContact O-CD1 3.44Å; L118-I122 VanDerWaalsContact O-CG1 3.25Å; L118-I122 WeakPolarHBondContact O-CG1 3.39Å; L118-I122 PolarHBondContact O-N 3.39Å; F119-I122 PolarHBondContact O-N 3.39Å; F120-I122 VanDerWaalsContact C-N 3.33Å; F120-I122 PolarHBondContact O-N 3.22Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 2.62Å; I122-K125 PolarHBondContact O-N 3.43Å; I122-L126 HydrophobicContact CG2-CD1 3.71Å; I122-L126 HydrophobicContact CG2-CG 4.4Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 VanDerWaalsContact O-CG 3.26Å; I122-L126 WeakPolarHBondContact O-CG 3.36Å; I122-L126 PolarHBondContact O-N 3.4Å
123I77.1Confident67.4Low65 Ų65107.8 Ų107.833%0.33354%0.544SS..Hα-helixtrans-59.1-45.8-179.7-65.1-108.8000109.8F119 F120 L126 T127F119-I123 HydrophobicContact CD1-CD1 4.35Å; F119-I123 HydrophobicContact CD1-CG1 3.98Å; F119-I123 HydrophobicContact CE1-CD1 3.61Å; F119-I123 HydrophobicContact CE1-CG1 3.75Å; F119-I123 HydrophobicContact CZ-CD1 3.74Å; F119-I123 HydrophobicContact CZ-CG1 4.15Å; F119-I123 WeakPolarHBondContact O-CG1 3.47Å; F119-I123 PolarHBondContact O-N 2.83Å; F120-I123 PolarHBondContact O-N 2.73Å; I123-L126 PolarHBondContact O-N 3.45Å; I123-T127 WeakPolarHBondContact O-CB 3.39Å; I123-T127 PolarHBondContact O-N 3.47Å; I123-T127 PolarHBondContact O-OG1 3.46Å
124L71.5Confident67.6Low101 Ų101107.3 Ų107.353%0.52954%0.541SS..Hα-helixtrans-66-40.6-178.4-164.6129.8000111.8F120 C121 I122 S128F120-L124 HydrophobicContact CE1-CD1 3.76Å; F120-L124 HydrophobicContact CZ-CD1 4.17Å; F120-L124 WeakPolarHBondContact O-CB 3.39Å; F120-L124 PolarHBondContact O-N 3.35Å; C121-L124 PolarHBondContact O-N 3.26Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 2.62Å; L124-S128 VanDerWaalsContact O-CB 3.31Å; L124-S128 WeakPolarHBondContact O-CB 3.36Å; L124-S128 PolarHBondContact O-N 3.12Å
125K73.5Confident67.5Low151 Ų151106.7 Ų106.766%0.65754%0.542SS*.Hα-helixtrans-64.9-42.1172.7-82.7-73.4-174.4179.10112.2C121 I122 S128 V129C121-K125 WeakPolarHBondContact O-CB 3.42Å; C121-K125 WeakPolarHBondContact O-CG 3.09Å; C121-K125 PolarHBondContact O-N 3.45Å; I122-K125 PolarHBondContact O-N 3.43Å; K125-S128 PolarHBondContact O-N 3.36Å; K125-V129 VanDerWaalsContact O-CG2 3.25Å; K125-V129 WeakPolarHBondContact O-CG2 3.48Å; K125-V129 PolarHBondContact O-N 3.42Å; K125-V129 VanDerWaalsContact O-N 3.09Å
126L64.5Low67.2Low100 Ų100107.6 Ų107.652%0.52455%0.547SS..Hα-helixtrans-65.6-42.7177.1-72.9170.7000111.8I122 I123 V129 T130I122-L126 HydrophobicContact CG2-CD1 3.71Å; I122-L126 HydrophobicContact CG2-CG 4.4Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 VanDerWaalsContact O-CG 3.26Å; I122-L126 WeakPolarHBondContact O-CG 3.36Å; I122-L126 PolarHBondContact O-N 3.4Å; I123-L126 PolarHBondContact O-N 3.45Å; L126-V129 PolarHBondContact O-N 3.35Å; L126-T130 PolarHBondContact O-N 3.05Å; L126-T130 VanDerWaalsContact O-N 3.07Å; L126-T130 PolarHBondContact O-OG1 3.22Å
127T65.8Low66.7Low88 Ų88108.9 Ų108.954%0.5455%0.552SS.*Hα-helixtrans-63.4-44.8175.7-60.60000110.9I123 V129 T130 D131I123-T127 WeakPolarHBondContact O-CB 3.39Å; I123-T127 PolarHBondContact O-N 3.47Å; I123-T127 PolarHBondContact O-OG1 3.46Å; T127-V129 VanDerWaalsContact C-N 3.25Å; T127-V129 PolarHBondContact O-N 3.29Å; T127-T130 PolarHBondContact O-N 2.87Å; T127-D131 PolarHBondContact O-N 3.25Å
128S58.8Low66.1Low82 Ų82107.5 Ų107.557%0.57355%0.551SS**Hα-helixtrans-63.3-28.8177.3179.30000113.5L124 K125L124-S128 VanDerWaalsContact O-CB 3.31Å; L124-S128 WeakPolarHBondContact O-CB 3.36Å; L124-S128 PolarHBondContact O-N 3.12Å; K125-S128 PolarHBondContact O-N 3.36Å
129V56.7Low65.4Low109 Ų109110.1 Ų110.166%0.66156%0.564SS**Hα-helixtrans-82.1-21.3175.6172.40000111.9K125 L126 T127K125-V129 VanDerWaalsContact O-CG2 3.25Å; K125-V129 WeakPolarHBondContact O-CG2 3.48Å; K125-V129 PolarHBondContact O-N 3.42Å; K125-V129 VanDerWaalsContact O-N 3.09Å; L126-V129 PolarHBondContact O-N 3.35Å; T127-V129 VanDerWaalsContact C-N 3.25Å; T127-V129 PolarHBondContact O-N 3.29Å
130T55.6Low64.6Low118 Ų118111.5 Ų111.572%0.72458%0.576SS**Hα-helixtrans-85.3-13.3179.8-52.70000112.6L126 T127L126-T130 PolarHBondContact O-N 3.05Å; L126-T130 VanDerWaalsContact O-N 3.07Å; L126-T130 PolarHBondContact O-OG1 3.22Å; T127-T130 PolarHBondContact O-N 2.87Å
131D48.7Very low63.6Low148 Ų148111.8 Ų111.879%0.79159%0.585SS**THydrogen-bonded Turntrans-90.914.1-178.4-151.7-111.3000114.1T127T127-D131 PolarHBondContact O-N 3.25Å
132Y41.4Very low62.6Low282 Ų282117.7 Ų117.7100%1.10661%0.609SS**  trans-121.90175.7-131.9-83.7000110.8

Retrieved 132 of 132 residues in 31.3 ms (Link to these results)