G4VHW7_SCHMA Loading...

Vesicle transport protein

May be involved in fusion of retrograde transport vesicles derived from an endocytic compartment with the Golgi complex.

AlphaFold DB , UniProt , Accession G4VHW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 223 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
1M55.7Low63.9Low224 Ų224127.6 Ų127.6100%1.10364%0.644SS**  0-27.20-116.8163.917800114.2N3M1-N3 PolarHBondContact O-N 3.26Å
2S59.7Low63.8Low68 Ų68132 Ų13248%0.47666%0.655SS.*Hα-helixtrans-64.7-30.8-176.3-151.20000115.9R4 I5 Y6S2-R4 PolarHBondContact O-N 3.42Å; S2-I5 PolarHBondContact O-N 3.34Å; S2-Y6 WeakPolarHBondContact O-CD2 3.14Å
3N61.7Low63.5Low139 Ų139131.8 Ų131.874%0.74366%0.656SS**Hα-helixtrans-69.5-24.6-175.2-74.7-15.1000115.1M1 I5 S7M1-N3 PolarHBondContact O-N 3.26Å; N3-I5 VanDerWaalsContact C-N 3.35Å; N3-S7 PolarHBondContact O-N 3.28Å
4R66.1Low63.6Low216 Ų216127.5 Ų127.582%0.81565%0.651SS**Hα-helixtrans-74.9-26.4176.4-72.6-167.7178.2-126.82.5112.8S2 S7 A8S2-R4 PolarHBondContact O-N 3.42Å; R4-S7 PolarHBondContact O-OG 3.29Å; R4-A8 PolarHBondContact O-N 3.45Å
5I68.5Low62.5Low108 Ų108127.1 Ų127.155%0.55465%0.651SS**Hα-helixtrans-71.9-40.9178.2-57.2175.3000109.5S2 N3 A8 L9S2-I5 PolarHBondContact O-N 3.34Å; N3-I5 VanDerWaalsContact C-N 3.35Å; I5-A8 PolarHBondContact O-N 2.99Å; I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 PolarHBondContact O-N 2.86Å
6Y64.4Low61.7Low153 Ų153125.8 Ų125.860%0.665%0.654SS**Hα-helixtrans-62.5-42.8176.6-70.8-72.8000112.8S2 A8 L9 Y10S2-Y6 WeakPolarHBondContact O-CD2 3.14Å; Y6-A8 PolarHBondContact O-N 3.15Å; Y6-L9 PolarHBondContact O-N 3.48Å; Y6-Y10 WeakPolarHBondContact O-CB 3.48Å; Y6-Y10 PolarHBondContact O-N 3.04Å
7S65.8Low61Low76 Ų76128.6 Ų128.653%0.53166%0.663SS.*Hα-helixtrans-69.6-33.9179.673.20000113.1N3 R4 Y10 S11N3-S7 PolarHBondContact O-N 3.28Å; R4-S7 PolarHBondContact O-OG 3.29Å; S7-Y10 PolarHBondContact O-N 3.38Å; S7-S11 PolarHBondContact O-N 3.18Å; S7-S11 PolarHBondContact O-OG 2.94Å
8A70.2Confident60.1Low55 Ų55130.4 Ų130.446%0.45567%0.674SS.*Hα-helixtrans-72-34.3176.400000112.4R4 I5 Y6 S11 K12R4-A8 PolarHBondContact O-N 3.45Å; I5-A8 PolarHBondContact O-N 2.99Å; Y6-A8 PolarHBondContact O-N 3.15Å; A8-S11 PolarHBondContact O-OG 3.47Å; A8-K12 PolarHBondContact O-N 3.29Å
9L65.1Low59.2Low97 Ų97127.2 Ų127.251%0.50866%0.664SS.*Hα-helixtrans-68.5-42.8171-79.4164.8000111I5 Y6 S11 K12 I13I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 PolarHBondContact O-N 2.86Å; Y6-L9 PolarHBondContact O-N 3.48Å; L9-S11 PolarHBondContact O-N 2.72Å; L9-K12 PolarHBondContact O-N 2.8Å; L9-I13 WeakPolarHBondContact O-CD1 3.16Å; L9-I13 VanDerWaalsContact O-CG1 3.22Å; L9-I13 WeakPolarHBondContact O-CG1 3.25Å; L9-I13 PolarHBondContact O-N 3.24Å; L9-I13 VanDerWaalsContact O-N 3.1Å
10Y62.8Low58.6Low188 Ų188126 Ų12674%0.73767%0.667SS**Hα-helixtrans-63.8-40.9-179.9-137.4-91.2000112.7Y6 S7 K12 I13 A14Y6-Y10 WeakPolarHBondContact O-CB 3.48Å; Y6-Y10 PolarHBondContact O-N 3.04Å; S7-Y10 PolarHBondContact O-N 3.38Å; Y10-K12 VanDerWaalsContact C-N 3.34Å; Y10-K12 PolarHBondContact O-N 2.89Å; Y10-I13 PolarHBondContact O-N 3.05Å; Y10-A14 VanDerWaalsContact O-CB 3.31Å; Y10-A14 WeakPolarHBondContact O-CB 3.37Å; Y10-A14 PolarHBondContact O-N 3.33Å
11S63.3Low58.1Low80 Ų80128.7 Ų128.756%0.55968%0.676SS**Hα-helixtrans-70.8-28.5178.366.20000113.3S7 A8 L9S7-S11 PolarHBondContact O-N 3.18Å; S7-S11 PolarHBondContact O-OG 2.94Å; A8-S11 PolarHBondContact O-OG 3.47Å; L9-S11 PolarHBondContact O-N 2.72Å
12K62.6Low57.6Low180 Ų180123.6 Ų123.678%0.78365%0.653SS**Hα-helixtrans-74.5-30.2174.2-123.1-179.7-174.8-73.90112.6A8 L9 Y10A8-K12 PolarHBondContact O-N 3.29Å; L9-K12 PolarHBondContact O-N 2.8Å; Y10-K12 VanDerWaalsContact C-N 3.34Å; Y10-K12 PolarHBondContact O-N 2.89Å
13I59.6Low57.1Low129 Ų129126.3 Ų126.366%0.66267%0.672SS**Hα-helixtrans-82.2-29.6178.6-65.2163.5000111.2L9 Y10 N15L9-I13 WeakPolarHBondContact O-CD1 3.16Å; L9-I13 VanDerWaalsContact O-CG1 3.22Å; L9-I13 WeakPolarHBondContact O-CG1 3.25Å; L9-I13 PolarHBondContact O-N 3.24Å; L9-I13 VanDerWaalsContact O-N 3.1Å; Y10-I13 PolarHBondContact O-N 3.05Å; I13-N15 VanDerWaalsContact C-N 3.26Å; I13-N15 PolarHBondContact O-N 3.49Å
14A64.5Low56.9Low72 Ų72123.5 Ų123.560%0.59567%0.668SS**SBendtrans-79.14.7-178.300000115.3Y10 P16Y10-A14 VanDerWaalsContact O-CB 3.31Å; Y10-A14 WeakPolarHBondContact O-CB 3.37Å; Y10-A14 PolarHBondContact O-N 3.33Å; A14-P16 WeakPolarHBondContact O-CD 3.12Å
15N47.5Very low56.6Low121 Ų121120.1 Ų120.165%0.64767%0.665SS**  trans-118.686.1176.1-166.6-10.5000110.8I13 Q17I13-N15 VanDerWaalsContact C-N 3.26Å; I13-N15 PolarHBondContact O-N 3.49Å; N15-Q17 PolarHBondContact O-N 2.97Å
16P50.2Low55.8Low106 Ų106120.9 Ų120.969%0.68867%0.67SS**  trans-100.241.2-169.734.1-22.2000112.7A14A14-P16 WeakPolarHBondContact O-CD 3.12Å
17Q49Very low55.7Low174 Ų174117.6 Ų117.681%0.81367%0.667SS**SBendtrans-95.35.3-176.2-111.8-133.2-87.300116N15N15-Q17 PolarHBondContact O-N 2.97Å
18N45.3Very low55.6Low162 Ų162121.1 Ų121.187%0.86668%0.676SS**SBendtrans-143.838.2-170.5-155.337.5000116
19S43.3Very low55.2Low69 Ų69122 Ų12248%0.48368%0.677SS.*  trans-144.562.3-176570000113.9
20S46.4Very low54.8Low103 Ų103122.4 Ų122.472%0.7268%0.679SS**  trans-14432.5161.9-46.20000113.1
21E48.9Very low54.6Low183 Ų183118.2 Ų118.286%0.85567%0.669SS**SBend-64.5118.8116.3-73.6-171.6120.700103.6
22D44.6Very low54.6Low117 Ų117117.6 Ų117.663%0.62666%0.664SS**  trans67.775.8174.9-48.3-37.7000114.3A24D22-A24 HydrophobicContact CB-CB 4.03Å; D22-A24 PolarHBondContact O-N 2.82Å
23S49.8Very low54.8Low124 Ų124116.3 Ų116.387%0.86766%0.659SS**SBend35.93.781.3-54.80000117.7
24A58Low55Low81 Ų81116.2 Ų116.267%0.66966%0.659SS**  trans-134.94.7-169.100000114D22D22-A24 HydrophobicContact CB-CB 4.03Å; D22-A24 PolarHBondContact O-N 2.82Å
25L57.9Low55.1Low144 Ų144120.5 Ų120.575%0.75466%0.664SS**  trans-11612.1-177.7-75.5173.6000114.8
26L52.1Low55.6Low124 Ų124119.2 Ų119.265%0.64967%0.665SS**SBendtrans-77.7123.9166.2-68.9-170.3000108.7E28L26-E28 PolarHBondContact O-N 3.28Å
27P63.7Low56Low84 Ų84119.2 Ų119.255%0.54567%0.667SS.*  trans-59.6129.9-179.826-33.4000108.9P29 L30P27-P29 WeakPolarHBondContact O-CD 3.26Å; P27-L30 PolarHBondContact O-N 2.85Å
28E63.6Low56.2Low151 Ų151118.1 Ų118.171%0.70667%0.667SS**Hα-helixtrans-36.3-33.7178.3-67-70.7114.100116.8L26 L30 L31 S32L26-E28 PolarHBondContact O-N 3.28Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.49Å; E28-L31 PolarHBondContact O-N 3.42Å; E28-S32 PolarHBondContact O-N 2.94Å; E28-S32 PolarHBondContact O-OG 3.3Å
29P62.1Low56.6Low73 Ų73113.2 Ų113.247%0.47465%0.649SS.*Hα-helixtrans-61.6-37.7177.4-22.734.7000113.3P27 S32 F33P27-P29 WeakPolarHBondContact O-CD 3.26Å; P29-S32 WeakPolarHBondContact CA-OG 3.49Å; P29-S32 PolarHBondContact O-N 3.1Å; P29-S32 PolarHBondContact O-OG 3.41Å; P29-F33 WeakPolarHBondContact O-CB 3.47Å; P29-F33 VanDerWaalsContact O-CD2 3.23Å; P29-F33 WeakPolarHBondContact O-CD2 3.26Å; P29-F33 PolarHBondContact O-N 3.45Å
30L54.7Low56.4Low106 Ų106117.7 Ų117.756%0.55567%0.667SS**Hα-helixtrans-75.4-31.8-177.8-69.7-159000112.8P27 E28 L34P27-L30 PolarHBondContact O-N 2.85Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.49Å; L30-L34 PolarHBondContact O-N 3.36Å; L30-L34 VanDerWaalsContact O-N 3.11Å
31L59.9Low56.1Low100 Ų100116.3 Ų116.352%0.52467%0.67SS.*Hα-helixtrans-67-38.5170.6-91.6-174.6000111.7E28 K35E28-L31 PolarHBondContact O-N 3.42Å; L31-K35 WeakPolarHBondContact O-CB 3.19Å; L31-K35 PolarHBondContact O-N 3.42Å
32S64Low55.4Low66 Ų66112.2 Ų112.246%0.46266%0.661SS.*Hα-helixtrans-71.5-35.5177.966.40000112.9E28 P29 K35 S36E28-S32 PolarHBondContact O-N 2.94Å; E28-S32 PolarHBondContact O-OG 3.3Å; P29-S32 WeakPolarHBondContact CA-OG 3.49Å; P29-S32 PolarHBondContact O-N 3.1Å; P29-S32 PolarHBondContact O-OG 3.41Å; S32-K35 PolarHBondContact O-N 3.44Å; S32-S36 WeakPolarHBondContact O-CB 3.19Å; S32-S36 PolarHBondContact O-N 2.83Å
33F66.1Low55Low154 Ų154114.4 Ų114.468%0.67567%0.667SS**Hα-helixtrans-66.3-40.9173.6-92.3-76.6000113P29 S36 S37P29-F33 WeakPolarHBondContact O-CB 3.47Å; P29-F33 VanDerWaalsContact O-CD2 3.23Å; P29-F33 WeakPolarHBondContact O-CD2 3.26Å; P29-F33 PolarHBondContact O-N 3.45Å; F33-S36 PolarHBondContact O-N 3.09Å; F33-S37 PolarHBondContact O-N 2.98Å
34L63.5Low54.2Low126 Ų126115.3 Ų115.366%0.6666%0.663SS**Hα-helixtrans-69.8-35.3173.9-85.5165000112.4L30 S37L30-L34 PolarHBondContact O-N 3.36Å; L30-L34 VanDerWaalsContact O-N 3.11Å; L34-S37 PolarHBondContact O-N 2.85Å
35K65.6Low53.1Low162 Ų162116.4 Ų116.470%0.70467%0.666SS**Hα-helixtrans-69-34.1175.5-170.8168.3-176.4176.40112.5L31 S32 S37 N38L31-K35 WeakPolarHBondContact O-CB 3.19Å; L31-K35 PolarHBondContact O-N 3.42Å; S32-K35 PolarHBondContact O-N 3.44Å; K35-S37 VanDerWaalsContact C-N 3.29Å; K35-S37 PolarHBondContact O-N 3.27Å; K35-N38 PolarHBondContact O-N 2.9Å
36S59.1Low51.7Low95 Ų95115.3 Ų115.366%0.66467%0.665SS**Hα-helixtrans-70.9-21.1177-171.20000113.7S32 F33S32-S36 WeakPolarHBondContact O-CB 3.19Å; S32-S36 PolarHBondContact O-N 2.83Å; F33-S36 PolarHBondContact O-N 3.09Å
37S57.9Low50.8Low106 Ų106118.6 Ų118.674%0.74167%0.674SS**THydrogen-bonded Turntrans-89.4-6.1-179.6-164.50000113.6F33 L34 K35F33-S37 PolarHBondContact O-N 2.98Å; L34-S37 PolarHBondContact O-N 2.85Å; K35-S37 VanDerWaalsContact C-N 3.29Å; K35-S37 PolarHBondContact O-N 3.27Å
38N54.1Low49.3Very low151 Ų151124 Ų12481%0.80769%0.692SS**THydrogen-bonded Turntrans-124.3-1.6-172-122-30.6000114K35K35-N38 PolarHBondContact O-N 2.9Å
39A52.9Low48Very low58 Ų58121.6 Ų121.648%0.47969%0.692SS.*SBendtrans-106.1113.2177.900000110.6
40D40.3Very low47Very low163 Ų163123.6 Ų123.687%0.87270%0.697SS**  trans62.3111.2149.5-59-31.3000117.7
41G38.6Very low46.8Very low75 Ų75122.4 Ų122.477%0.77370%0.695SS**  cis79.561.927.100000112.3
42S35.3Very low46.2Very low97 Ų97122.8 Ų122.868%0.67870%0.701SS**  trans-171.2118.5154.2-149.90000114.1
43Q36.6Very low45.5Very low162 Ų162123.7 Ų123.776%0.75770%0.704SS**  trans68122.7139.4-65.8178.217.600121.8
44N32.6Very low44.9Very low144 Ų144122 Ų12277%0.7770%0.699SS**  trans85.8104138.9-66.8-15.2000120.5
45S33.8Very low44.2Very low104 Ų104121.9 Ų121.973%0.72770%0.697SS**  63106.4123.9-119.20000119.2
46T29.8Very low43.7Very low121 Ų121120.6 Ų120.674%0.74269%0.693SS**  trans64.378.4132.1-41.70000115.4
47K31.8Very low43.5Very low193 Ų193119.7 Ų119.784%0.83968%0.684SS**  trans-179.339154.4-98.9155.2-167.2-176.50113.8S49K47-S49 PolarHBondContact O-N 3.12Å
48E33.7Very low43.5Very low196 Ų196120.9 Ų120.992%0.91668%0.678SS**THydrogen-bonded Turntrans-91.285.7175.3-76.2-173.7113.200111.5
49S35.5Very low43.7Very low102 Ų102115.3 Ų115.371%0.71366%0.657SS**THydrogen-bonded Turntrans-161.82.8157.9-164.30000114K47K47-S49 PolarHBondContact O-N 3.12Å
50I42.3Very low44.1Very low114 Ų114118.5 Ų118.559%0.58566%0.656SS**SBendtrans-105.3-22.9-173.4-63.7177.2000112.4T53I50-T53 PolarHBondContact O-OG1 3.06Å
51T49.6Very low45Very low82 Ų82115.3 Ų115.350%0.50364%0.639SS.*Hα-helixtrans-82.6-27.8-173.126.30000115.1T53 E54 I55T51-T53 PolarHBondContact O-N 3.05Å; T51-E54 PolarHBondContact O-N 2.85Å; T51-I55 WeakPolarHBondContact O-CG1 3.35Å; T51-I55 PolarHBondContact O-N 3.26Å
52T47.2Very low46.1Very low107 Ų107114.7 Ų114.766%0.65662%0.62SS**Hα-helixtrans-69-34.9179.1-44.20000112.1E56T52-E56 WeakPolarHBondContact O-CB 3.34Å; T52-E56 PolarHBondContact O-N 3.39Å
53T49.9Very low47.4Very low85 Ų85112.7 Ų112.752%0.52161%0.606SS.*Hα-helixtrans-72.1-32.3176.239.60000112.9I50 T51 T57I50-T53 PolarHBondContact O-OG1 3.06Å; T51-T53 PolarHBondContact O-N 3.05Å; T53-T57 VanDerWaalsContact O-CB 3.24Å; T53-T57 WeakPolarHBondContact O-CB 3.5Å; T53-T57 WeakPolarHBondContact O-CG2 3.29Å; T53-T57 PolarHBondContact O-N 2.86Å; T53-T57 PolarHBondContact O-OG1 3.05Å
54E52.4Low48.4Very low120 Ų120109.1 Ų109.156%0.56159%0.586SS**Hα-helixtrans-74-39.4178.3-68-168.6126.400111.7T51 T57 Q58T51-E54 PolarHBondContact O-N 2.85Å; E54-T57 WeakPolarHBondContact CA-OG1 3.2Å; E54-T57 PolarHBondContact O-OG1 3.49Å; E54-Q58 VanDerWaalsContact O-CB 3.22Å; E54-Q58 WeakPolarHBondContact O-CB 3.04Å; E54-Q58 PolarHBondContact O-N 3.3Å
55I48.9Very low49.8Very low122 Ų122107.1 Ų107.163%0.62657%0.57SS**Hα-helixtrans-70.6-39.3176.7-61.9173.6000111T51 Q58 G59T51-I55 WeakPolarHBondContact O-CG1 3.35Å; T51-I55 PolarHBondContact O-N 3.26Å; I55-Q58 PolarHBondContact O-N 2.87Å; I55-G59 PolarHBondContact O-N 3.08Å
56E55.4Low51Low135 Ų135110.9 Ų110.963%0.63157%0.57SS**Hα-helixtrans-69-41.7175.3-159.8-164.6123.300111.5T52 Q58 G59 R60T52-E56 WeakPolarHBondContact O-CB 3.34Å; T52-E56 PolarHBondContact O-N 3.39Å; E56-Q58 PolarHBondContact O-N 2.88Å; E56-G59 PolarHBondContact O-N 3.11Å; E56-R60 WeakPolarHBondContact O-CB 3.32Å; E56-R60 PolarHBondContact O-N 3.4Å
57T56Low52.5Low77 Ų77110.3 Ų110.347%0.47256%0.559SS.*Hα-helixtrans-65.4-39.7175.353.40000111.4T53 E54 R60 L61T53-T57 VanDerWaalsContact O-CB 3.24Å; T53-T57 WeakPolarHBondContact O-CB 3.5Å; T53-T57 WeakPolarHBondContact O-CG2 3.29Å; T53-T57 PolarHBondContact O-N 2.86Å; T53-T57 PolarHBondContact O-OG1 3.05Å; E54-T57 WeakPolarHBondContact CA-OG1 3.2Å; E54-T57 PolarHBondContact O-OG1 3.49Å; T57-R60 PolarHBondContact O-N 2.91Å; T57-L61 WeakPolarHBondContact O-CB 3.47Å; T57-L61 WeakPolarHBondContact O-CG 3.5Å; T57-L61 PolarHBondContact O-N 3.24Å
58Q56Low53.7Low130 Ų130101.6 Ų101.661%0.60752%0.523SS*.Hα-helixtrans-68.5-43176.6-156.8-160.5-28.100111.8E54 I55 E56 R60 L61 T62E54-Q58 VanDerWaalsContact O-CB 3.22Å; E54-Q58 WeakPolarHBondContact O-CB 3.04Å; E54-Q58 PolarHBondContact O-N 3.3Å; I55-Q58 PolarHBondContact O-N 2.87Å; E56-Q58 PolarHBondContact O-N 2.88Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 3.44Å; Q58-L61 PolarHBondContact O-N 3.25Å; Q58-T62 WeakPolarHBondContact O-CG2 3.19Å; Q58-T62 PolarHBondContact O-N 3.25Å; Q58-T62 PolarHBondContact O-OG1 3.34Å
59G59.8Low54.8Low35 Ų3596 Ų9636%0.36150%0.499SS..Hα-helixtrans-64.1-35174.300000113I55 E56 T62 S63I55-G59 PolarHBondContact O-N 3.08Å; E56-G59 PolarHBondContact O-N 3.11Å; G59-T62 WeakPolarHBondContact CA-OG1 3.5Å; G59-T62 PolarHBondContact O-OG1 3.45Å; G59-S63 WeakPolarHBondContact O-CB 3.45Å; G59-S63 PolarHBondContact O-N 3.4Å; G59-S63 PolarHBondContact O-OG 3.27Å
60R61.7Low55.8Low125 Ų12594.4 Ų94.447%0.47249%0.492SS..Hα-helixtrans-69.8-43.4172.9-158.7178.7107.6155.67.5110.8E56 T57 Q58 T62 S63 W64E56-R60 WeakPolarHBondContact O-CB 3.32Å; E56-R60 PolarHBondContact O-N 3.4Å; T57-R60 PolarHBondContact O-N 2.91Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 3.44Å; R60-T62 PolarHBondContact O-N 3.2Å; R60-S63 WeakPolarHBondContact CA-OG 3.49Å; R60-S63 PolarHBondContact O-N 2.89Å; R60-S63 PolarHBondContact O-OG 2.97Å; R60-W64 WeakPolarHBondContact O-CB 3.46Å; R60-W64 PolarHBondContact O-N 3.37Å
61L57.9Low56.4Low96 Ų9690.5 Ų90.550%0.50347%0.472SS..Hα-helixtrans-61.4-45.3174.4-72169.4000111.7T57 Q58 W64 F65T57-L61 WeakPolarHBondContact O-CB 3.47Å; T57-L61 WeakPolarHBondContact O-CG 3.5Å; T57-L61 PolarHBondContact O-N 3.24Å; Q58-L61 PolarHBondContact O-N 3.25Å; L61-W64 WeakPolarHBondContact O-CB 3.24Å; L61-W64 PolarHBondContact O-N 3.44Å; L61-F65 HydrophobicContact CB-CE2 4.35Å; L61-F65 WeakPolarHBondContact O-CD2 3.27Å; L61-F65 PolarHBondContact O-N 3.04Å
62T61.1Low56.7Low62 Ų6292.5 Ų92.538%0.3849%0.487SS..Hα-helixtrans-64.5-44.1178.255.30000111.9Q58 G59 R60 W64 F65 Y66Q58-T62 WeakPolarHBondContact O-CG2 3.19Å; Q58-T62 PolarHBondContact O-N 3.25Å; Q58-T62 PolarHBondContact O-OG1 3.34Å; G59-T62 WeakPolarHBondContact CA-OG1 3.5Å; G59-T62 PolarHBondContact O-OG1 3.45Å; R60-T62 PolarHBondContact O-N 3.2Å; T62-W64 VanDerWaalsContact C-N 3.27Å; T62-W64 PolarHBondContact O-N 3.02Å; T62-F65 PolarHBondContact O-N 3.47Å; T62-F65 VanDerWaalsContact O-N 3.12Å; T62-Y66 WeakPolarHBondContact O-CD2 3.48Å; T62-Y66 PolarHBondContact O-N 3.27Å
63S62.5Low57Low55 Ų5594.9 Ų94.939%0.38550%0.495SS..Hα-helixtrans-60.7-35.8174.158.50000112.5G59 R60 F65 Y66 Q67G59-S63 WeakPolarHBondContact O-CB 3.45Å; G59-S63 PolarHBondContact O-N 3.4Å; G59-S63 PolarHBondContact O-OG 3.27Å; R60-S63 WeakPolarHBondContact CA-OG 3.49Å; R60-S63 PolarHBondContact O-N 2.89Å; R60-S63 PolarHBondContact O-OG 2.97Å; S63-F65 VanDerWaalsContact C-N 3.34Å; S63-F65 PolarHBondContact O-N 3.26Å; S63-Y66 PolarHBondContact O-N 3.22Å; S63-Q67 VanDerWaalsContact O-CB 3.31Å; S63-Q67 WeakPolarHBondContact O-CB 3.22Å; S63-Q67 PolarHBondContact O-N 3.27Å
64W57.9Low57Low86 Ų8693.9 Ų93.933%0.32649%0.485SS..Hα-helixtrans-65.4-36.6175.3-72.530000112R60 L61 T62 A68 L136R60-W64 WeakPolarHBondContact O-CB 3.46Å; R60-W64 PolarHBondContact O-N 3.37Å; L61-W64 WeakPolarHBondContact O-CB 3.24Å; L61-W64 PolarHBondContact O-N 3.44Å; T62-W64 VanDerWaalsContact C-N 3.27Å; T62-W64 PolarHBondContact O-N 3.02Å; W64-A68 PolarHBondContact O-N 3.35Å; W64-L136 HydrophobicContact CE3-CD2 3.4Å; W64-L136 HydrophobicContact CE3-CG 4.33Å; W64-L136 HydrophobicContact CZ3-CD2 3.47Å; W64-L136 VanDerWaalsContact CZ3-CD2 3.47Å
65F62.3Low56.9Low103 Ų10393.7 Ų93.745%0.45249%0.494SS..Hα-helixtrans-69.9-39173.1-69.2-63.9000112.8L61 T62 S63 A68 D69 L135L61-F65 HydrophobicContact CB-CE2 4.35Å; L61-F65 WeakPolarHBondContact O-CD2 3.27Å; L61-F65 PolarHBondContact O-N 3.04Å; T62-F65 PolarHBondContact O-N 3.47Å; T62-F65 VanDerWaalsContact O-N 3.12Å; S63-F65 VanDerWaalsContact C-N 3.34Å; S63-F65 PolarHBondContact O-N 3.26Å; F65-A68 PolarHBondContact O-N 3.31Å; F65-D69 PolarHBondContact O-N 3.24Å; F65-L135 HydrophobicContact CE1-CD2 3.7Å; F65-L135 HydrophobicContact CE1-CG 4.17Å; F65-L135 HydrophobicContact CZ-CD2 3.93Å
66Y60.2Low57Low183 Ų18398.4 Ų98.472%0.71851%0.51SS*.Hα-helixtrans-66.8-39.4175-89.4-85.6000112.1T62 S63 A68 D69 A70T62-Y66 WeakPolarHBondContact O-CD2 3.48Å; T62-Y66 PolarHBondContact O-N 3.27Å; S63-Y66 PolarHBondContact O-N 3.22Å; Y66-A68 VanDerWaalsContact C-N 3.28Å; Y66-A68 PolarHBondContact O-N 3.28Å; Y66-D69 PolarHBondContact O-N 2.94Å; Y66-A70 PolarHBondContact O-N 2.85Å
67Q59.6Low56.9Low109 Ų10995.6 Ų95.651%0.50952%0.518SS..Hα-helixtrans-63.7-34.4176.4-162.585.34300111.6S63 D69 A70 N140S63-Q67 VanDerWaalsContact O-CB 3.31Å; S63-Q67 WeakPolarHBondContact O-CB 3.22Å; S63-Q67 PolarHBondContact O-N 3.27Å; Q67-D69 VanDerWaalsContact C-N 3.29Å; Q67-D69 PolarHBondContact O-N 3.49Å; Q67-A70 PolarHBondContact O-N 3.33Å; Q67-N140 VanDerWaalsContact CG-CG 3.44Å; Q67-N140 WeakPolarHBondContact CG-ND2 3.43Å; Q67-N140 VanDerWaalsContact CG-OD1 3.3Å; Q67-N140 WeakPolarHBondContact CG-OD1 3.33Å
68A57.5Low56.7Low10 Ų1096.8 Ų96.88%0.08352%0.519CS..Hα-helixtrans-69.4-22.6176.300000114.2W64 F65 Y66 L136W64-A68 PolarHBondContact O-N 3.35Å; F65-A68 PolarHBondContact O-N 3.31Å; Y66-A68 VanDerWaalsContact C-N 3.28Å; Y66-A68 PolarHBondContact O-N 3.28Å; A68-L136 VanDerWaalsContact CB-O 3.25Å; A68-L136 WeakPolarHBondContact CB-O 3.07Å
69D57.3Low57.2Low79 Ų7994 Ų9442%0.42251%0.514SS..Hα-helixtrans-86.3-18176-138.4-70.6000111.4F65 Y66 Q67 R80F65-D69 PolarHBondContact O-N 3.24Å; Y66-D69 PolarHBondContact O-N 2.94Å; Q67-D69 VanDerWaalsContact C-N 3.29Å; Q67-D69 PolarHBondContact O-N 3.49Å; D69-R80 IonicContact OD1-NH2 3.94Å; D69-R80 IonicContact OD2-CZ 3.23Å; D69-R80 VanDerWaalsContact OD2-CZ 3.23Å; D69-R80 IonicContact OD2-NE 2.93Å; D69-R80 PolarHBondContact OD2-NE 3.08Å; D69-R80 IonicContact OD2-NH2 2.73Å; D69-R80 PolarHBondContact OD2-NH2 3.3Å
70A55.8Low57.4Low68 Ų68100.9 Ų100.956%0.56253%0.529SS*.  trans-90.14.2-172.600000115.4Y66 Q67 P72Y66-A70 PolarHBondContact O-N 2.85Å; Q67-A70 PolarHBondContact O-N 3.33Å; A70-P72 VanDerWaalsContact O-CD 3.31Å; A70-P72 WeakPolarHBondContact O-CD 3.43Å
71D55.4Low57.8Low32 Ų32101.4 Ų101.417%0.17154%0.537CS..  trans-74.3117.6-174.3-81.5-32.3000113L73 M74 C139 N140D71-L73 VanDerWaalsContact C-N 3.27Å; D71-L73 PolarHBondContact O-N 3.02Å; D71-L73 VanDerWaalsContact O-N 3.14Å; D71-M74 HydrophobicContact CB-SD 4.18Å; D71-M74 PolarHBondContact O-N 3.05Å; D71-C139 WeakPolarHBondContact OD2-CB 3.49Å; D71-N140 PolarHBondContact OD2-N 2.82Å
72P55.1Low58.8Low124 Ų124101.8 Ų101.881%0.80554%0.536SS*.THydrogen-bonded Turntrans-76.84.4-170.829.1-34.7000116.1A70A70-P72 VanDerWaalsContact O-CD 3.31Å; A70-P72 WeakPolarHBondContact O-CD 3.43Å
73L54.4Low59.3Low157 Ų157102.1 Ų102.182%0.82253%0.53SS*.THydrogen-bonded Turntrans-101.77173.3-68.9177.7000113.2D71 P75D71-L73 VanDerWaalsContact C-N 3.27Å; D71-L73 PolarHBondContact O-N 3.02Å; D71-L73 VanDerWaalsContact O-N 3.14Å; L73-P75 WeakPolarHBondContact O-CD 3.19Å
74M49.7Very low60.2Low63 Ų63102.7 Ų102.731%0.3153%0.529SS..SBendtrans-84.4124.9177.3-76.5173.133.700111.6D71 K76 R83D71-M74 HydrophobicContact CB-SD 4.18Å; D71-M74 PolarHBondContact O-N 3.05Å; M74-K76 PolarHBondContact O-N 3.11Å; M74-R83 VanDerWaalsContact SD-CZ 3.51Å; M74-R83 PolarHBondContact SD-NH1 3.26Å; M74-R83 PolarHBondContact SD-NH2 3.25Å
75P50.4Low61.6Low117 Ų117104.4 Ų104.476%0.7654%0.541SS*.  trans-54.3124.6161.9-19.430.8000109.2L73 G77L73-P75 WeakPolarHBondContact O-CD 3.19Å; P75-G77 PolarHBondContact O-N 3.2Å
76K50.6Low62.7Low220 Ų220100.5 Ų100.596%0.95753%0.531SS*.THydrogen-bonded Turntrans-68.660.5-173.7-159.3175.5-173.9168.10112.5M74M74-K76 PolarHBondContact O-N 3.11Å
77G53.5Low64Low77 Ų7792.8 Ų92.879%0.79450%0.501SS*.THydrogen-bonded Turntrans-175.17.9-174.400000121.7P75P75-G77 PolarHBondContact O-N 3.2Å
78M51.8Low65.5Low102 Ų10293.2 Ų93.250%0.50250%0.501SS..  trans-104.3119177.5-158.7-162.5-96.600111.6Q82M78-Q82 VanDerWaalsContact CE-CD 3.49Å; M78-Q82 HydrophobicContact CE-CG 4.27Å; M78-Q82 HydrophobicContact CG-CB 3.86Å; M78-Q82 VanDerWaalsContact CG-CD 3.47Å; M78-Q82 HydrophobicContact CG-CG 4.03Å; M78-Q82 HydrophobicContact SD-CB 3.8Å; M78-Q82 HydrophobicContact SD-CG 3.53Å; M78-Q82 VanDerWaalsContact SD-CG 3.53Å
79S67.6Low67.1Low71 Ų7197.7 Ų97.750%0.49752%0.523SS..  trans-50.6136.9-177.8-179.50000112.2Q81 Q82S79-Q81 PolarHBondContact O-N 2.75Å; S79-Q81 WeakPolarHBondContact OG-CB 3.29Å; S79-Q81 PolarHBondContact OG-N 3.42Å; S79-Q82 WeakPolarHBondContact O-CB 3.23Å; S79-Q82 PolarHBondContact O-N 3.4Å
80R63.2Low68.7Low180 Ų18095.2 Ų95.268%0.67951%0.512SS*.Hα-helixtrans-47.2-30.1170.9-69.5-178.7174.9168.3-0.1111.9D69 R83 L84D69-R80 IonicContact OD1-NH2 3.94Å; D69-R80 IonicContact OD2-CZ 3.23Å; D69-R80 VanDerWaalsContact OD2-CZ 3.23Å; D69-R80 IonicContact OD2-NE 2.93Å; D69-R80 PolarHBondContact OD2-NE 3.08Å; D69-R80 IonicContact OD2-NH2 2.73Å; D69-R80 PolarHBondContact OD2-NH2 3.3Å; R80-R83 PolarHBondContact O-N 2.97Å; R80-L84 WeakPolarHBondContact O-CB 3.42Å; R80-L84 PolarHBondContact O-N 3.5Å
81Q70Confident70.4Confident135 Ų13594.5 Ų94.563%0.63150%0.498SS*.Hα-helixtrans-62.3-39.5175-65.5-72.4-43.500113.4S79 R83 L84 M85S79-Q81 PolarHBondContact O-N 2.75Å; S79-Q81 WeakPolarHBondContact OG-CB 3.29Å; S79-Q81 PolarHBondContact OG-N 3.42Å; Q81-R83 VanDerWaalsContact C-N 3.31Å; Q81-R83 PolarHBondContact O-N 3.13Å; Q81-L84 PolarHBondContact O-N 2.85Å; Q81-M85 WeakPolarHBondContact O-CB 3.26Å; Q81-M85 PolarHBondContact O-N 2.93Å
82Q77.9Confident72.3Confident104 Ų10498 Ų9849%0.48652%0.517SS..Hα-helixtrans-70.5-31.9-179.7-168.6167.9-13.300111.6M78 S79 G86M78-Q82 VanDerWaalsContact CE-CD 3.49Å; M78-Q82 HydrophobicContact CE-CG 4.27Å; M78-Q82 HydrophobicContact CG-CB 3.86Å; M78-Q82 VanDerWaalsContact CG-CD 3.47Å; M78-Q82 HydrophobicContact CG-CG 4.03Å; M78-Q82 HydrophobicContact SD-CB 3.8Å; M78-Q82 HydrophobicContact SD-CG 3.53Å; M78-Q82 VanDerWaalsContact SD-CG 3.53Å; S79-Q82 WeakPolarHBondContact O-CB 3.23Å; S79-Q82 PolarHBondContact O-N 3.4Å; Q82-G86 PolarHBondContact O-N 2.84Å
83R72.7Confident74.1Confident70 Ų7094.8 Ų94.826%0.26450%0.497SS..Hα-helixtrans-69.2-43.8170.2-64.1178.7177.3-153.4-14.5111.4M74 R80 Q81 M85 G86 F87 F134M74-R83 VanDerWaalsContact SD-CZ 3.51Å; M74-R83 PolarHBondContact SD-NH1 3.26Å; M74-R83 PolarHBondContact SD-NH2 3.25Å; R80-R83 PolarHBondContact O-N 2.97Å; Q81-R83 VanDerWaalsContact C-N 3.31Å; Q81-R83 PolarHBondContact O-N 3.13Å; R83-M85 VanDerWaalsContact C-N 3.27Å; R83-M85 PolarHBondContact O-N 3.16Å; R83-G86 PolarHBondContact O-N 3.43Å; R83-F87 PolarHBondContact O-N 2.86Å; R83-F134 VanDerWaalsContact CA-CE1 3.43Å; R83-F134 HydrophobicContact CB-CE1 4.15Å; R83-F134 WeakPolarHBondContact O-CD1 3.29Å; R83-F134 WeakPolarHBondContact O-CE1 3.41Å
84L81.9Confident76Confident67 Ų6787.3 Ų87.335%0.35146%0.458SS..Hα-helixtrans-65.7-33.7177.5-168.160.8000111.9R80 Q81 F87 F88R80-L84 WeakPolarHBondContact O-CB 3.42Å; R80-L84 PolarHBondContact O-N 3.5Å; Q81-L84 PolarHBondContact O-N 2.85Å; L84-F87 HydrophobicContact CD1-CD1 3.93Å; L84-F87 WeakPolarHBondContact O-CB 2.93Å; L84-F87 PolarHBondContact O-N 2.89Å; L84-F88 HydrophobicContact CD1-CD2 4.1Å; L84-F88 HydrophobicContact CD1-CE2 3.65Å; L84-F88 HydrophobicContact CD1-CZ 4.29Å; L84-F88 HydrophobicContact CD2-CE2 3.85Å; L84-F88 HydrophobicContact CG-CD2 3.76Å; L84-F88 HydrophobicContact CG-CE2 3.44Å; L84-F88 VanDerWaalsContact CG-CE2 3.44Å; L84-F88 HydrophobicContact CG-CZ 4.47Å; L84-F88 WeakPolarHBondContact O-CD2 3.37Å; L84-F88 PolarHBondContact O-N 2.93Å
85M85.9Confident78.1Confident121 Ų12187.6 Ų87.660%0.59647%0.466SS*.Hα-helixtrans-63.6-45.5174.2-168-173.5-168.500111.6Q81 R83 F87 F88 L89Q81-M85 WeakPolarHBondContact O-CB 3.26Å; Q81-M85 PolarHBondContact O-N 2.93Å; R83-M85 VanDerWaalsContact C-N 3.27Å; R83-M85 PolarHBondContact O-N 3.16Å; M85-F87 VanDerWaalsContact C-N 3.32Å; M85-F87 PolarHBondContact O-N 2.79Å; M85-F88 PolarHBondContact O-N 3.44Å; M85-L89 HydrophobicContact CE-CD1 4.43Å; M85-L89 HydrophobicContact CG-CD1 4.02Å; M85-L89 HydrophobicContact CG-CG 4.42Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 VanDerWaalsContact O-CG 3.26Å; M85-L89 WeakPolarHBondContact O-CG 2.82Å; M85-L89 PolarHBondContact O-N 3.32Å
86G85.5Confident80.2Confident22 Ų2286.9 Ų86.923%0.22746%0.455CS..Hα-helixtrans-64.4-36.417500000112.8Q82 R83 C90Q82-G86 PolarHBondContact O-N 2.84Å; R83-G86 PolarHBondContact O-N 3.43Å; G86-C90 WeakPolarHBondContact O-CB 3.31Å; G86-C90 PolarHBondContact O-N 3.29Å
87F87.2Confident82.2Confident21 Ų2177 Ų779%0.09241%0.413CS..Hα-helixtrans-58.5-52.6172.3168.1-105.4000111R83 L84 M85 C90 L91 S131 F134 L135R83-F87 PolarHBondContact O-N 2.86Å; L84-F87 HydrophobicContact CD1-CD1 3.93Å; L84-F87 WeakPolarHBondContact O-CB 2.93Å; L84-F87 PolarHBondContact O-N 2.89Å; M85-F87 VanDerWaalsContact C-N 3.32Å; M85-F87 PolarHBondContact O-N 2.79Å; F87-C90 PolarHBondContact O-N 3.26Å; F87-L91 HydrophobicContact CE1-CD2 3.96Å; F87-L91 HydrophobicContact CZ-CD1 4.46Å; F87-L91 HydrophobicContact CZ-CD2 3.88Å; F87-L91 WeakPolarHBondContact O-CB 3.45Å; F87-L91 PolarHBondContact O-N 3.48Å; F87-S131 VanDerWaalsContact CD2-O 3.22Å; F87-S131 WeakPolarHBondContact CD2-O 3.46Å; F87-S131 WeakPolarHBondContact CD2-OG 3.24Å; F87-S131 WeakPolarHBondContact CE2-OG 3.37Å; F87-S131 PolarHBondContact O-OG 2.81Å; F87-S131 VanDerWaalsContact O-OG 3.07Å; F87-F134 HydrophobicContact CB-CD1 4.26Å; F87-F134 VanDerWaalsContact N-CD1 3.34Å; F87-L135 HydrophobicContact CD1-CD1 3.7Å; F87-L135 HydrophobicContact CD2-CB 3.66Å; F87-L135 HydrophobicContact CD2-CD1 3.72Å; F87-L135 HydrophobicContact CD2-CG 4.32Å; F87-L135 HydrophobicContact CE1-CD1 3.56Å; F87-L135 HydrophobicContact CE2-CB 3.86Å; F87-L135 HydrophobicContact CE2-CD1 3.59Å; F87-L135 HydrophobicContact CE2-CG 4.29Å; F87-L135 HydrophobicContact CG-CB 4.27Å; F87-L135 HydrophobicContact CG-CD1 3.77Å; F87-L135 HydrophobicContact CZ-CD1 3.52Å
88F90.9Very high83.9Confident117 Ų11775.7 Ų75.751%0.51339%0.388SS..Hα-helixtrans-67.1-39.7-179.3-78.2-60.2000113.3L84 M85 C90 L91 L92L84-F88 HydrophobicContact CD1-CD2 4.1Å; L84-F88 HydrophobicContact CD1-CE2 3.65Å; L84-F88 HydrophobicContact CD1-CZ 4.29Å; L84-F88 HydrophobicContact CD2-CE2 3.85Å; L84-F88 HydrophobicContact CG-CD2 3.76Å; L84-F88 HydrophobicContact CG-CE2 3.44Å; L84-F88 VanDerWaalsContact CG-CE2 3.44Å; L84-F88 HydrophobicContact CG-CZ 4.47Å; L84-F88 WeakPolarHBondContact O-CD2 3.37Å; L84-F88 PolarHBondContact O-N 2.93Å; M85-F88 PolarHBondContact O-N 3.44Å; F88-C90 VanDerWaalsContact C-N 3.35Å; F88-L91 HydrophobicContact CD1-CD2 4.47Å; F88-L91 PolarHBondContact O-N 2.92Å; F88-L92 VanDerWaalsContact O-CB 3.23Å; F88-L92 WeakPolarHBondContact O-CB 3.14Å; F88-L92 PolarHBondContact O-N 3.04Å
89L92.2Very high85.9Confident104 Ų10474.4 Ų74.455%0.54539%0.388SS..Hα-helixtrans-62.2-44.3175-74.4169.7000111.1M85 S93M85-L89 HydrophobicContact CE-CD1 4.43Å; M85-L89 HydrophobicContact CG-CD1 4.02Å; M85-L89 HydrophobicContact CG-CG 4.42Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 VanDerWaalsContact O-CG 3.26Å; M85-L89 WeakPolarHBondContact O-CG 2.82Å; M85-L89 PolarHBondContact O-N 3.32Å; L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.33Å; L89-S93 PolarHBondContact O-N 2.91Å
90C90.6Very high86.9Confident28 Ų2875.3 Ų75.319%0.18939%0.387CS..Hα-helixtrans-67-41.3176.4-168.50000111.5G86 F87 F88 S93 A94 L127G86-C90 WeakPolarHBondContact O-CB 3.31Å; G86-C90 PolarHBondContact O-N 3.29Å; F87-C90 PolarHBondContact O-N 3.26Å; F88-C90 VanDerWaalsContact C-N 3.35Å; C90-S93 PolarHBondContact O-N 2.91Å; C90-A94 VanDerWaalsContact O-CB 3.27Å; C90-A94 WeakPolarHBondContact O-CB 3.33Å; C90-A94 PolarHBondContact O-N 3Å; C90-L127 PolarHBondContact SG-O 3.25Å
91L92.2Very high88Confident52 Ų5266.8 Ų66.827%0.27236%0.355SS..Hα-helixtrans-64.9-43.5178.2-169.469.7000111.6F87 F88 A94 S95 L128F87-L91 HydrophobicContact CE1-CD2 3.96Å; F87-L91 HydrophobicContact CZ-CD1 4.46Å; F87-L91 HydrophobicContact CZ-CD2 3.88Å; F87-L91 WeakPolarHBondContact O-CB 3.45Å; F87-L91 PolarHBondContact O-N 3.48Å; F88-L91 HydrophobicContact CD1-CD2 4.47Å; F88-L91 PolarHBondContact O-N 2.92Å; L91-A94 PolarHBondContact O-N 3.08Å; L91-S95 VanDerWaalsContact O-CB 3.25Å; L91-S95 WeakPolarHBondContact O-CB 3.5Å; L91-S95 PolarHBondContact O-N 2.97Å; L91-L128 HydrophobicContact CD1-CD1 3.9Å
92L95Very high88.8Confident107 Ų10766.3 Ų66.356%0.5636%0.355SS*.Hα-helixtrans-65.5-43.7176.8-17463.6000110.5F88 S95 L96F88-L92 VanDerWaalsContact O-CB 3.23Å; F88-L92 WeakPolarHBondContact O-CB 3.14Å; F88-L92 PolarHBondContact O-N 3.04Å; L92-S95 PolarHBondContact O-N 2.72Å; L92-L96 HydrophobicContact CG-CD1 4.18Å; L92-L96 WeakPolarHBondContact O-CB 3.19Å; L92-L96 VanDerWaalsContact O-CG 3.24Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.38Å
93S93.3Very high89.1Confident56 Ų5665.8 Ų65.839%0.39236%0.358SS..Hα-helixtrans-61.1-45.9174.2-173.50000112L89 C90 L96 C97L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.33Å; L89-S93 PolarHBondContact O-N 2.91Å; C90-S93 PolarHBondContact O-N 2.91Å; S93-L96 PolarHBondContact O-N 3.3Å; S93-C97 VanDerWaalsContact O-CB 3.24Å; S93-C97 WeakPolarHBondContact O-CB 3.31Å; S93-C97 PolarHBondContact O-N 3Å
94A92.9Very high89.5Confident0 Ų065.2 Ų65.20%036%0.358CS..Hα-helixtrans-60.2-46.6175.300000111.6C90 L91 C97 L98 L127 L128C90-A94 VanDerWaalsContact O-CB 3.27Å; C90-A94 WeakPolarHBondContact O-CB 3.33Å; C90-A94 PolarHBondContact O-N 3Å; L91-A94 PolarHBondContact O-N 3.08Å; A94-C97 PolarHBondContact O-N 3.28Å; A94-L98 WeakPolarHBondContact O-CB 3.14Å; A94-L98 WeakPolarHBondContact O-CG 3.36Å; A94-L98 PolarHBondContact O-N 3.47Å; A94-L127 HydrophobicContact CB-CB 3.69Å; A94-L128 HydrophobicContact CB-CB 4.15Å; A94-L128 HydrophobicContact CB-CD1 4.37Å
95S94Very high89.4Confident69 Ų6965.8 Ų65.848%0.48336%0.361SS..Hα-helixtrans-63.8-42.6178.2-173.60000112L91 L92 C97 L98 C99L91-S95 VanDerWaalsContact O-CB 3.25Å; L91-S95 WeakPolarHBondContact O-CB 3.5Å; L91-S95 PolarHBondContact O-N 2.97Å; L92-S95 PolarHBondContact O-N 2.72Å; S95-C97 VanDerWaalsContact C-N 3.35Å; S95-L98 PolarHBondContact O-N 3.05Å; S95-C99 WeakPolarHBondContact O-CB 3.3Å; S95-C99 PolarHBondContact O-N 3.47Å
96L94.9Very high88.8Confident102 Ų10265 Ų6553%0.53437%0.365SS..Hα-helixtrans-63.4-42.7174.8-75.1171.1000110.9L92 S93 C99 L100L92-L96 HydrophobicContact CG-CD1 4.18Å; L92-L96 WeakPolarHBondContact O-CB 3.19Å; L92-L96 VanDerWaalsContact O-CG 3.24Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.38Å; S93-L96 PolarHBondContact O-N 3.3Å; L96-C99 PolarHBondContact O-N 2.96Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 VanDerWaalsContact O-CG 3.26Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.18Å
97C92Very high88Confident11 Ų1167 Ų677%0.07437%0.373CS..Hα-helixtrans-63.8-43.2178.2-163.50000112.2S93 A94 S95 A101 L120S93-C97 VanDerWaalsContact O-CB 3.24Å; S93-C97 WeakPolarHBondContact O-CB 3.31Å; S93-C97 PolarHBondContact O-N 3Å; A94-C97 PolarHBondContact O-N 3.28Å; S95-C97 VanDerWaalsContact C-N 3.35Å; C97-A101 PolarHBondContact O-N 2.88Å; C97-L120 PolarHBondContact SG-O 3.4Å
98L90.9Very high87.1Confident51 Ų5168.2 Ų68.227%0.26738%0.379SS..Hα-helixtrans-68.3-39.8174.4-72.3173.4000112.4A94 S95 A101 M102A94-L98 WeakPolarHBondContact O-CB 3.14Å; A94-L98 WeakPolarHBondContact O-CG 3.36Å; A94-L98 PolarHBondContact O-N 3.47Å; S95-L98 PolarHBondContact O-N 3.05Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.13Å; L98-M102 WeakPolarHBondContact O-CG 3.37Å; L98-M102 PolarHBondContact O-N 3.45Å
99C92.7Very high85.8Confident75 Ų7567.2 Ų67.251%0.50739%0.393SS..Hα-helixtrans-61.9-45.6175.1-1740000110.9S95 L96 A101 M102 V103S95-C99 WeakPolarHBondContact O-CB 3.3Å; S95-C99 PolarHBondContact O-N 3.47Å; L96-C99 PolarHBondContact O-N 2.96Å; C99-A101 VanDerWaalsContact C-N 3.33Å; C99-A101 PolarHBondContact O-N 3.19Å; C99-M102 WeakPolarHBondContact O-CB 3.48Å; C99-M102 PolarHBondContact O-N 3.29Å; C99-M102 VanDerWaalsContact O-N 3.13Å; C99-V103 WeakPolarHBondContact O-CG2 3.15Å; C99-V103 PolarHBondContact O-N 3.34Å
100L89.4Confident84.7Confident89 Ų8965.5 Ų65.547%0.46639%0.387SS..Hα-helixtrans-60-43.7172.6-72172.2000111L96 M102 V103 F104 L120L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 VanDerWaalsContact O-CG 3.26Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.18Å; L100-M102 VanDerWaalsContact C-N 3.26Å; L100-M102 PolarHBondContact O-N 3.47Å; L100-V103 PolarHBondContact O-N 3.43Å; L100-F104 WeakPolarHBondContact O-CD2 3.49Å; L100-F104 PolarHBondContact O-N 2.92Å; L100-L120 HydrophobicContact CB-CD2 3.39Å; L100-L120 HydrophobicContact CD1-CD2 4.2Å; L100-L120 HydrophobicContact CG-CD2 4.43Å
101A86.8Confident83.6Confident2 Ų268.1 Ų68.12%0.01740%0.404CS..Hα-helixtrans-54.9-42.9174.600000111.6C97 L98 C99 V103 F104 L105 Y117 L120 H121C97-A101 PolarHBondContact O-N 2.88Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.13Å; C99-A101 VanDerWaalsContact C-N 3.33Å; C99-A101 PolarHBondContact O-N 3.19Å; A101-V103 PolarHBondContact O-N 3.5Å; A101-F104 PolarHBondContact O-N 2.84Å; A101-L105 PolarHBondContact O-N 2.98Å; A101-Y117 HydrophobicContact CB-CD2 4.15Å; A101-Y117 HydrophobicContact CB-CE2 3.98Å; A101-Y117 WeakPolarHBondContact O-CD2 3.04Å; A101-Y117 WeakPolarHBondContact O-CE2 3.45Å; A101-L120 HydrophobicContact CB-CB 4.21Å; A101-H121 HydrophobicContact CB-CB 4.36Å
102M84.9Confident82.6Confident124 Ų12472.3 Ų72.361%0.61142%0.42SS*.Hα-helixtrans-64.9-36.4175.7-66-59.9-69.900113.3L98 C99 L100 F104 L105L98-M102 WeakPolarHBondContact O-CG 3.37Å; L98-M102 PolarHBondContact O-N 3.45Å; C99-M102 WeakPolarHBondContact O-CB 3.48Å; C99-M102 PolarHBondContact O-N 3.29Å; C99-M102 VanDerWaalsContact O-N 3.13Å; L100-M102 VanDerWaalsContact C-N 3.26Å; L100-M102 PolarHBondContact O-N 3.47Å; M102-F104 VanDerWaalsContact C-N 3.32Å; M102-L105 WeakPolarHBondContact O-CB 3.43Å; M102-L105 PolarHBondContact O-N 3.44Å
103V84.9Confident81.6Confident93 Ų9367.4 Ų67.456%0.56440%0.395SS*.Hα-helixtrans-69.6-30.11741750000111.9C99 L100 A101 L105 P106C99-V103 WeakPolarHBondContact O-CG2 3.15Å; C99-V103 PolarHBondContact O-N 3.34Å; L100-V103 PolarHBondContact O-N 3.43Å; A101-V103 PolarHBondContact O-N 3.5Å; V103-L105 VanDerWaalsContact C-N 3.28Å; V103-L105 PolarHBondContact O-N 3.47Å; V103-P106 VanDerWaalsContact O-CD 3.23Å; V103-P106 WeakPolarHBondContact O-CD 3.17Å; V103-P106 VanDerWaalsContact O-CG 3.29Å; V103-P106 WeakPolarHBondContact O-CG 3.13Å
104F80.9Confident80.6Confident59 Ų5967 Ų6726%0.25939%0.388SS..Hα-helixtrans-77.3-10.1175.6-84.2-77.3000113.6L100 A101 M102 V107 I108 Y117 L120L100-F104 WeakPolarHBondContact O-CD2 3.49Å; L100-F104 PolarHBondContact O-N 2.92Å; A101-F104 PolarHBondContact O-N 2.84Å; M102-F104 VanDerWaalsContact C-N 3.32Å; F104-V107 HydrophobicContact CD1-CB 4.19Å; F104-V107 HydrophobicContact CD1-CG1 4.39Å; F104-V107 HydrophobicContact CD1-CG2 4.41Å; F104-V107 CarbonylContact O-C 3.6Å; F104-V107 WeakPolarHBondContact O-CA 3.25Å; F104-V107 WeakPolarHBondContact O-CB 3.28Å; F104-V107 PolarHBondContact O-N 2.91Å; F104-I108 PolarHBondContact O-N 3.04Å; F104-Y117 HydrophobicContact CB-CD2 4.36Å; F104-L120 HydrophobicContact CD2-CD2 4.05Å; F104-L120 HydrophobicContact CE2-CD2 4.18Å
105L79.6Confident79.7Confident79 Ų7969.7 Ų69.741%0.41440%0.398SS..G310 helixtrans-53.3-48.8177.7-145.281.4000113.8A101 M102 V103 V107 I108 Y117A101-L105 PolarHBondContact O-N 2.98Å; M102-L105 WeakPolarHBondContact O-CB 3.43Å; M102-L105 PolarHBondContact O-N 3.44Å; V103-L105 VanDerWaalsContact C-N 3.28Å; V103-L105 PolarHBondContact O-N 3.47Å; L105-V107 PolarHBondContact O-N 2.78Å; L105-I108 HydrophobicContact CB-CD1 4.45Å; L105-I108 HydrophobicContact CD1-CD1 3.72Å; L105-I108 HydrophobicContact CG-CD1 4.05Å; L105-I108 VanDerWaalsContact O-CB 3.29Å; L105-I108 WeakPolarHBondContact O-CB 3.38Å; L105-I108 VanDerWaalsContact O-CG1 3.29Å; L105-I108 WeakPolarHBondContact O-CG1 3.27Å; L105-I108 PolarHBondContact O-N 3.23Å; L105-Y117 HydrophobicContact CD1-CD2 4.31Å; L105-Y117 HydrophobicContact CD1-CE2 3.48Å; L105-Y117 VanDerWaalsContact CD1-CE2 3.48Å
106P73.4Confident79.1Confident105 Ų10572.2 Ų72.268%0.68240%0.4SS*.G310 helixtrans-64.5-21.7173.323.9-36.1000114.1V103V103-P106 VanDerWaalsContact O-CD 3.23Å; V103-P106 WeakPolarHBondContact O-CD 3.17Å; V103-P106 VanDerWaalsContact O-CG 3.29Å; V103-P106 WeakPolarHBondContact O-CG 3.13Å
107V69.5Low78.6Confident64 Ų6468.6 Ų68.639%0.38838%0.379SS..G310 helixtrans-85.7-10-179.1-172.40000112F104 L105 A109 T110F104-V107 HydrophobicContact CD1-CB 4.19Å; F104-V107 HydrophobicContact CD1-CG1 4.39Å; F104-V107 HydrophobicContact CD1-CG2 4.41Å; F104-V107 CarbonylContact O-C 3.6Å; F104-V107 WeakPolarHBondContact O-CA 3.25Å; F104-V107 WeakPolarHBondContact O-CB 3.28Å; F104-V107 PolarHBondContact O-N 2.91Å; L105-V107 PolarHBondContact O-N 2.78Å; V107-A109 PolarHBondContact O-N 3.45Å; V107-A109 VanDerWaalsContact O-N 3.12Å; V107-T110 PolarHBondContact O-N 3.24Å; V107-T110 PolarHBondContact O-OG1 3.46Å
108I68.2Low78.1Confident45 Ų4568.2 Ų68.223%0.23138%0.377CS..G310 helixtrans-57.1-26177.2-66.9176.3000112.2F104 L105 T110 M114 Y117F104-I108 PolarHBondContact O-N 3.04Å; L105-I108 HydrophobicContact CB-CD1 4.45Å; L105-I108 HydrophobicContact CD1-CD1 3.72Å; L105-I108 HydrophobicContact CG-CD1 4.05Å; L105-I108 VanDerWaalsContact O-CB 3.29Å; L105-I108 WeakPolarHBondContact O-CB 3.38Å; L105-I108 VanDerWaalsContact O-CG1 3.29Å; L105-I108 WeakPolarHBondContact O-CG1 3.27Å; L105-I108 PolarHBondContact O-N 3.23Å; I108-T110 PolarHBondContact O-N 2.92Å; I108-M114 HydrophobicContact CB-CG 4.45Å; I108-M114 HydrophobicContact CG2-CG 3.69Å; I108-M114 HydrophobicContact CG2-SD 3.55Å; I108-M114 VanDerWaalsContact CG2-SD 3.55Å; I108-M114 WeakPolarHBondContact O-CG 3.43Å; I108-Y117 HydrophobicContact CD1-CD1 3.87Å; I108-Y117 HydrophobicContact CD1-CD2 3.96Å; I108-Y117 HydrophobicContact CD1-CE1 4.13Å; I108-Y117 HydrophobicContact CD1-CE2 4.21Å; I108-Y117 HydrophobicContact CD1-CG 3.78Å; I108-Y117 HydrophobicContact CG1-CD1 4.47Å; I108-Y117 HydrophobicContact CG1-CD2 4.43Å; I108-Y117 HydrophobicContact CG1-CG 4.08Å
109A64Low77.8Confident97 Ų9768.5 Ų68.580%0.80238%0.378SS*.G310 helixtrans-59.6-18.7176.700000113.6V107V107-A109 PolarHBondContact O-N 3.45Å; V107-A109 VanDerWaalsContact O-N 3.12Å
110T69.3Low77.6Confident67 Ų6766.9 Ų66.941%0.41136%0.364SS..SBendtrans-93134.9171.262.20000110.7V107 I108 F112 G113 M114V107-T110 PolarHBondContact O-N 3.24Å; V107-T110 PolarHBondContact O-OG1 3.46Å; I108-T110 PolarHBondContact O-N 2.92Å; T110-F112 PolarHBondContact O-N 3.24Å; T110-F112 VanDerWaalsContact O-N 3.08Å; T110-G113 WeakPolarHBondContact O-CA 3.5Å; T110-G113 PolarHBondContact O-N 2.84Å; T110-G113 PolarHBondContact OG1-N 3.39Å; T110-M114 PolarHBondContact O-N 3.22Å
111P67.8Low77.4Confident84 Ų8464.5 Ų64.555%0.54535%0.351SS..Hα-helixtrans-60.3-24.7178.923.5-33.4000112.6A174P111-A174 HydrophobicContact CB-CB 4.5Å
112F71.1Confident77.3Confident140 Ų14064.4 Ų64.461%0.61435%0.35SS*.Hα-helixtrans-74.6-29.7173.7-66.9-90.4000113.1T110T110-F112 PolarHBondContact O-N 3.24Å; T110-F112 VanDerWaalsContact O-N 3.08Å
113G72.9Confident77.5Confident4 Ų462.6 Ų62.64%0.04134%0.342CS..Hα-helixtrans-73.8-40-178.800000113.6T110 R115 K116 Y117T110-G113 WeakPolarHBondContact O-CA 3.5Å; T110-G113 PolarHBondContact O-N 2.84Å; T110-G113 PolarHBondContact OG1-N 3.39Å; G113-R115 VanDerWaalsContact C-N 3.27Å; G113-R115 PolarHBondContact O-N 3.09Å; G113-K116 PolarHBondContact O-N 2.84Å; G113-K116 VanDerWaalsContact O-N 3.11Å; G113-Y117 PolarHBondContact O-N 3.5Å
114M72.3Confident77.7Confident47 Ų4758.1 Ų58.123%0.23232%0.315CS..Hα-helixtrans-54.7-41.4-177.8-63.1-132.8-69.800113I108 T110 K116 Y117 V118 A174 A178I108-M114 HydrophobicContact CB-CG 4.45Å; I108-M114 HydrophobicContact CG2-CG 3.69Å; I108-M114 HydrophobicContact CG2-SD 3.55Å; I108-M114 VanDerWaalsContact CG2-SD 3.55Å; I108-M114 WeakPolarHBondContact O-CG 3.43Å; T110-M114 PolarHBondContact O-N 3.22Å; M114-K116 PolarHBondContact O-N 2.78Å; M114-Y117 PolarHBondContact O-N 2.82Å; M114-V118 WeakPolarHBondContact O-CG2 3.46Å; M114-V118 PolarHBondContact O-N 3.32Å; M114-A174 HydrophobicContact CE-CB 3.83Å; M114-A174 WeakPolarHBondContact CE-O 2.98Å; M114-A178 HydrophobicContact CE-CB 4.06Å
115R74.9Confident78Confident56 Ų5655.9 Ų55.921%0.21131%0.307CS..Hα-helixtrans-62.1-45.9180-63-177-67-169.12111.7G113 Y117 V118 L119 V168 Q172G113-R115 VanDerWaalsContact C-N 3.27Å; G113-R115 PolarHBondContact O-N 3.09Å; R115-Y117 VanDerWaalsContact C-N 3.33Å; R115-Y117 PolarHBondContact O-N 3.39Å; R115-V118 PolarHBondContact O-N 3.36Å; R115-L119 WeakPolarHBondContact O-CB 3.43Å; R115-L119 VanDerWaalsContact O-CG 3.27Å; R115-L119 WeakPolarHBondContact O-CG 3.32Å; R115-L119 PolarHBondContact O-N 2.86Å; R115-V168 HydrophobicContact CB-CG1 4.27Å; R115-Q172 WeakPolarHBondContact CD-O 3.36Å; R115-Q172 PolarHBondContact NH1-O 3.16Å
116K80.6Confident78.3Confident123 Ų12354.2 Ų54.254%0.53530%0.298SS..Hα-helixtrans-65.8-39.6179.4-62.8-178.5-177.1-179.80111.1G113 M114 L119 L120G113-K116 PolarHBondContact O-N 2.84Å; G113-K116 VanDerWaalsContact O-N 3.11Å; M114-K116 PolarHBondContact O-N 2.78Å; K116-L119 PolarHBondContact O-N 3.25Å; K116-L120 PolarHBondContact O-N 2.92Å
117Y83.6Confident79.1Confident25 Ų2551.5 Ų51.510%0.09828%0.277CS..Hα-helixtrans-59.4-51.7175.8173.4-97.8000111.7A101 F104 L105 I108 G113 M114 R115 L119 L120 H121 L181A101-Y117 HydrophobicContact CB-CD2 4.15Å; A101-Y117 HydrophobicContact CB-CE2 3.98Å; A101-Y117 WeakPolarHBondContact O-CD2 3.04Å; A101-Y117 WeakPolarHBondContact O-CE2 3.45Å; F104-Y117 HydrophobicContact CB-CD2 4.36Å; L105-Y117 HydrophobicContact CD1-CD2 4.31Å; L105-Y117 HydrophobicContact CD1-CE2 3.48Å; L105-Y117 VanDerWaalsContact CD1-CE2 3.48Å; I108-Y117 HydrophobicContact CD1-CD1 3.87Å; I108-Y117 HydrophobicContact CD1-CD2 3.96Å; I108-Y117 HydrophobicContact CD1-CE1 4.13Å; I108-Y117 HydrophobicContact CD1-CE2 4.21Å; I108-Y117 HydrophobicContact CD1-CG 3.78Å; I108-Y117 HydrophobicContact CG1-CD1 4.47Å; I108-Y117 HydrophobicContact CG1-CD2 4.43Å; I108-Y117 HydrophobicContact CG1-CG 4.08Å; G113-Y117 PolarHBondContact O-N 3.5Å; M114-Y117 PolarHBondContact O-N 2.82Å; R115-Y117 VanDerWaalsContact C-N 3.33Å; R115-Y117 PolarHBondContact O-N 3.39Å; Y117-L119 VanDerWaalsContact C-N 3.34Å; Y117-L119 PolarHBondContact O-N 3.14Å; Y117-L120 PolarHBondContact O-N 3.45Å; Y117-H121 HydrophobicContact CE1-CB 4.5Å; Y117-H121 VanDerWaalsContact O-CB 3.25Å; Y117-H121 WeakPolarHBondContact O-CB 3.36Å; Y117-H121 PolarHBondContact O-N 2.74Å; Y117-L181 HydrophobicContact CD1-CD2 4.08Å; Y117-L181 HydrophobicContact CE1-CD1 4.01Å; Y117-L181 HydrophobicContact CE1-CD2 3.56Å; Y117-L181 HydrophobicContact CE1-CG 4.43Å
118V81.8Confident80Confident3 Ų351.2 Ų51.22%0.01827%0.273CS..Hα-helixtrans-66-37.4-178.7177.70000111.7M114 R115 H121 T122 V168 S177 L181M114-V118 WeakPolarHBondContact O-CG2 3.46Å; M114-V118 PolarHBondContact O-N 3.32Å; R115-V118 PolarHBondContact O-N 3.36Å; V118-H121 PolarHBondContact O-N 2.82Å; V118-T122 HydrophobicContact CG1-CG2 4.15Å; V118-T122 WeakPolarHBondContact O-CB 3.4Å; V118-T122 VanDerWaalsContact O-CG2 3.28Å; V118-T122 WeakPolarHBondContact O-CG2 3.49Å; V118-T122 PolarHBondContact O-N 3.01Å; V118-T122 PolarHBondContact O-OG1 3.2Å; V118-V168 HydrophobicContact CB-CG2 4.25Å; V118-V168 HydrophobicContact CG1-CG2 3.82Å; V118-S177 VanDerWaalsContact CB-OG 3.31Å; V118-S177 WeakPolarHBondContact CB-OG 3.18Å; V118-S177 WeakPolarHBondContact CG2-OG 3.48Å; V118-L181 HydrophobicContact CG2-CB 4.07Å; V118-L181 HydrophobicContact CG2-CD1 4.42Å; V118-L181 HydrophobicContact CG2-CD2 4.21Å; V118-L181 HydrophobicContact CG2-CG 4.47Å
119L84.5Confident80.7Confident58 Ų5851.1 Ų51.130%0.30427%0.273SS..Hα-helixtrans-62.2-48.7174.8-71.3178.5000111.9R115 K116 Y117 T122 L123 L165 V168 V169R115-L119 WeakPolarHBondContact O-CB 3.43Å; R115-L119 VanDerWaalsContact O-CG 3.27Å; R115-L119 WeakPolarHBondContact O-CG 3.32Å; R115-L119 PolarHBondContact O-N 2.86Å; K116-L119 PolarHBondContact O-N 3.25Å; Y117-L119 VanDerWaalsContact C-N 3.34Å; Y117-L119 PolarHBondContact O-N 3.14Å; L119-T122 PolarHBondContact O-OG1 2.83Å; L119-T122 VanDerWaalsContact O-OG1 3.07Å; L119-L123 WeakPolarHBondContact O-CB 2.96Å; L119-L123 PolarHBondContact O-N 3.37Å; L119-L165 HydrophobicContact CD2-CD1 3.23Å; L119-V168 HydrophobicContact CD1-CG1 4.3Å; L119-V168 HydrophobicContact CD2-CB 4.17Å; L119-V168 HydrophobicContact CD2-CG1 3.78Å; L119-V168 HydrophobicContact CG-CG1 3.82Å; L119-V169 HydrophobicContact CD2-CG2 4.15Å
120L88.3Confident81.5Confident40 Ų4048 Ų4821%0.20925%0.251CS..Hα-helixtrans-65.7-41.1177.5-10360000111.8C97 L100 A101 F104 K116 Y117 L123 G124C97-L120 PolarHBondContact SG-O 3.4Å; L100-L120 HydrophobicContact CB-CD2 3.39Å; L100-L120 HydrophobicContact CD1-CD2 4.2Å; L100-L120 HydrophobicContact CG-CD2 4.43Å; A101-L120 HydrophobicContact CB-CB 4.21Å; F104-L120 HydrophobicContact CD2-CD2 4.05Å; F104-L120 HydrophobicContact CE2-CD2 4.18Å; K116-L120 PolarHBondContact O-N 2.92Å; Y117-L120 PolarHBondContact O-N 3.45Å; L120-L123 PolarHBondContact O-N 2.84Å; L120-G124 PolarHBondContact O-N 3.49Å
121H85.4Confident82.2Confident40 Ų4044.9 Ų44.919%0.18523%0.231CC..Hα-helixtrans-63.1-44.4178.9-180-100.2000112.3A101 Y117 V118 S125A101-H121 HydrophobicContact CB-CB 4.36Å; Y117-H121 HydrophobicContact CE1-CB 4.5Å; Y117-H121 VanDerWaalsContact O-CB 3.25Å; Y117-H121 WeakPolarHBondContact O-CB 3.36Å; Y117-H121 PolarHBondContact O-N 2.74Å; V118-H121 PolarHBondContact O-N 2.82Å; H121-S125 WeakPolarHBondContact O-CB 3.25Å; H121-S125 PolarHBondContact O-N 2.86Å; H121-S125 PolarHBondContact O-OG 2.8Å
122T86.2Confident82.7Confident0 Ų045.6 Ų45.60%023%0.226CC..Hα-helixtrans-69.8-44177.553.40000111.6V118 L119 S125 I126 L161V118-T122 HydrophobicContact CG1-CG2 4.15Å; V118-T122 WeakPolarHBondContact O-CB 3.4Å; V118-T122 VanDerWaalsContact O-CG2 3.28Å; V118-T122 WeakPolarHBondContact O-CG2 3.49Å; V118-T122 PolarHBondContact O-N 3.01Å; V118-T122 PolarHBondContact O-OG1 3.2Å; L119-T122 PolarHBondContact O-OG1 2.83Å; L119-T122 VanDerWaalsContact O-OG1 3.07Å; T122-S125 PolarHBondContact O-N 2.73Å; T122-I126 VanDerWaalsContact O-CG1 3.29Å; T122-I126 WeakPolarHBondContact O-CG1 3.3Å; T122-I126 PolarHBondContact O-N 3.47Å; T122-L161 HydrophobicContact CG2-CD2 3.92Å
123L88.6Confident82.9Confident85 Ų8540.1 Ų40.145%0.44521%0.205SC..Hα-helixtrans-61.1-45.8176.7-170.277.2000111.5L119 L120 S125 I126 L127L119-L123 WeakPolarHBondContact O-CB 2.96Å; L119-L123 PolarHBondContact O-N 3.37Å; L120-L123 PolarHBondContact O-N 2.84Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 2.9Å; L123-I126 PolarHBondContact O-N 3.26Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 WeakPolarHBondContact O-CB 3.35Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.86Å
124G89.3Confident82.9Confident0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-60.2-42.7175.300000112.1L120 L127 L128L120-G124 PolarHBondContact O-N 3.49Å; G124-L127 PolarHBondContact O-N 2.88Å; G124-L128 VanDerWaalsContact O-CB 3.28Å; G124-L128 WeakPolarHBondContact O-CB 3.48Å; G124-L128 PolarHBondContact O-N 3.28Å
125S87.6Confident82.7Confident11 Ų1144.1 Ų44.18%0.07722%0.222CC..Hα-helixtrans-63.8-43.4176-62.50000112.6H121 T122 L123 L128 I129H121-S125 WeakPolarHBondContact O-CB 3.25Å; H121-S125 PolarHBondContact O-N 2.86Å; H121-S125 PolarHBondContact O-OG 2.8Å; T122-S125 PolarHBondContact O-N 2.73Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 2.9Å; S125-L128 PolarHBondContact O-N 2.83Å; S125-I129 WeakPolarHBondContact O-CD1 3.2Å; S125-I129 VanDerWaalsContact O-CG1 3.29Å; S125-I129 WeakPolarHBondContact O-CG1 3.26Å; S125-I129 PolarHBondContact O-N 3.03Å
126I85.6Confident82.1Confident45 Ų4543 Ų4323%0.23122%0.22CC..Hα-helixtrans-64.8-44.9177.8-68.5166000110.6T122 L123 L128 I129 G130 L161 F162 L165T122-I126 VanDerWaalsContact O-CG1 3.29Å; T122-I126 WeakPolarHBondContact O-CG1 3.3Å; T122-I126 PolarHBondContact O-N 3.47Å; L123-I126 PolarHBondContact O-N 3.26Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 2.85Å; I126-I129 PolarHBondContact O-N 2.92Å; I126-G130 PolarHBondContact O-N 2.88Å; I126-L161 HydrophobicContact CG1-CD1 4.32Å; I126-F162 HydrophobicContact CD1-CD1 4.48Å; I126-F162 HydrophobicContact CD1-CE1 4.11Å; I126-F162 HydrophobicContact CD1-CZ 4.27Å; I126-L165 HydrophobicContact CD1-CD2 4.37Å
127L88.9Confident81.1Confident47 Ų4737.3 Ų37.325%0.24620%0.197CC..Hα-helixtrans-62.7-40175.3-74.1169.9000111.4C90 A94 L123 G124 G130 S131C90-L127 PolarHBondContact SG-O 3.25Å; A94-L127 HydrophobicContact CB-CB 3.69Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 WeakPolarHBondContact O-CB 3.35Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.86Å; G124-L127 PolarHBondContact O-N 2.88Å; L127-G130 CarbonylContact O-C 3.6Å; L127-G130 PolarHBondContact O-N 3.24Å; L127-S131 WeakPolarHBondContact O-CB 3.46Å; L127-S131 PolarHBondContact O-N 3.46Å
128L88.2Confident79.8Confident58 Ų5838.8 Ų38.830%0.30421%0.209SC..Hα-helixtrans-61.3-47.1176.7-169.773.1000111.2L91 A94 G124 S125 I126 G130 S131 F132L91-L128 HydrophobicContact CD1-CD1 3.9Å; A94-L128 HydrophobicContact CB-CB 4.15Å; A94-L128 HydrophobicContact CB-CD1 4.37Å; G124-L128 VanDerWaalsContact O-CB 3.28Å; G124-L128 WeakPolarHBondContact O-CB 3.48Å; G124-L128 PolarHBondContact O-N 3.28Å; S125-L128 PolarHBondContact O-N 2.83Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 2.85Å; L128-G130 VanDerWaalsContact C-N 3.35Å; L128-G130 PolarHBondContact O-N 3.06Å; L128-S131 WeakPolarHBondContact O-CB 3.17Å; L128-S131 PolarHBondContact O-N 3.49Å; L128-F132 HydrophobicContact CD1-CE2 4.28Å; L128-F132 HydrophobicContact CG-CD2 4.44Å; L128-F132 HydrophobicContact CG-CE2 4.01Å; L128-F132 WeakPolarHBondContact O-CD2 3.26Å; L128-F132 PolarHBondContact O-N 2.98Å
129I83Confident78.5Confident43 Ų4342.1 Ų42.122%0.22123%0.232CC..Hα-helixtrans-61.4-44.4175.1-66.9157.4000110.7S125 I126 S131 F132 S133 Y157 L158 L161S125-I129 WeakPolarHBondContact O-CD1 3.2Å; S125-I129 VanDerWaalsContact O-CG1 3.29Å; S125-I129 WeakPolarHBondContact O-CG1 3.26Å; S125-I129 PolarHBondContact O-N 3.03Å; I126-I129 PolarHBondContact O-N 2.92Å; I129-S131 VanDerWaalsContact C-N 3.32Å; I129-S131 PolarHBondContact O-N 3.31Å; I129-F132 PolarHBondContact O-N 2.91Å; I129-S133 PolarHBondContact O-N 3.07Å; I129-Y157 HydrophobicContact CD1-CD1 4.24Å; I129-Y157 HydrophobicContact CD1-CE1 3.96Å; I129-L158 HydrophobicContact CD1-CD1 3.62Å; I129-L158 HydrophobicContact CD1-CG 4.27Å; I129-L158 HydrophobicContact CG2-CD1 4.35Å; I129-L161 HydrophobicContact CD1-CD1 3.92Å
130G80.9Confident77.1Confident33 Ų3340.5 Ų40.534%0.3422%0.224SC..Hα-helixtrans-62.5-37177.200000113.2I126 L127 L128 S133 F134I126-G130 PolarHBondContact O-N 2.88Å; L127-G130 CarbonylContact O-C 3.6Å; L127-G130 PolarHBondContact O-N 3.24Å; L128-G130 VanDerWaalsContact C-N 3.35Å; L128-G130 PolarHBondContact O-N 3.06Å; G130-S133 WeakPolarHBondContact O-CB 3.17Å; G130-S133 PolarHBondContact O-N 3.36Å; G130-F134 PolarHBondContact O-N 2.76Å
131S85Confident75.5Confident0 Ų039.8 Ų39.80%022%0.219CC..Hα-helixtrans-59.6-51.2173.8-175.90000110.2F87 L127 L128 I129 S133 F134 L135F87-S131 VanDerWaalsContact CD2-O 3.22Å; F87-S131 WeakPolarHBondContact CD2-O 3.46Å; F87-S131 WeakPolarHBondContact CD2-OG 3.24Å; F87-S131 WeakPolarHBondContact CE2-OG 3.37Å; F87-S131 PolarHBondContact O-OG 2.81Å; F87-S131 VanDerWaalsContact O-OG 3.07Å; L127-S131 WeakPolarHBondContact O-CB 3.46Å; L127-S131 PolarHBondContact O-N 3.46Å; L128-S131 WeakPolarHBondContact O-CB 3.17Å; L128-S131 PolarHBondContact O-N 3.49Å; I129-S131 VanDerWaalsContact C-N 3.32Å; I129-S131 PolarHBondContact O-N 3.31Å; S131-S133 VanDerWaalsContact C-N 3.29Å; S131-S133 PolarHBondContact O-N 2.86Å; S131-F134 WeakPolarHBondContact O-CB 3.37Å; S131-F134 PolarHBondContact O-N 3.12Å; S131-L135 PolarHBondContact O-N 3.39Å; S131-L135 VanDerWaalsContact O-N 3.07Å
132F78.6Confident74.2Confident100 Ų10042.6 Ų42.644%0.43923%0.234SC..Hα-helixtrans-59.1-37.8173.8-72.5-68.2000113L128 I129 F134 L135 L136L128-F132 HydrophobicContact CD1-CE2 4.28Å; L128-F132 HydrophobicContact CG-CD2 4.44Å; L128-F132 HydrophobicContact CG-CE2 4.01Å; L128-F132 WeakPolarHBondContact O-CD2 3.26Å; L128-F132 PolarHBondContact O-N 2.98Å; I129-F132 PolarHBondContact O-N 2.91Å; F132-F134 VanDerWaalsContact C-N 3.29Å; F132-F134 PolarHBondContact O-N 3.19Å; F132-L135 PolarHBondContact O-N 3.48Å; F132-L136 HydrophobicContact CB-CD1 4.37Å; F132-L136 WeakPolarHBondContact O-CD1 3.24Å; F132-L136 PolarHBondContact O-N 2.83Å
133S74.1Confident72.7Confident24 Ų2450.2 Ų50.217%0.16827%0.268CS..Hα-helixtrans-59.6-38.9174-172.70000112.6I129 G130 S131 G137I129-S133 PolarHBondContact O-N 3.07Å; G130-S133 WeakPolarHBondContact O-CB 3.17Å; G130-S133 PolarHBondContact O-N 3.36Å; S131-S133 VanDerWaalsContact C-N 3.29Å; S131-S133 PolarHBondContact O-N 2.86Å; S133-G137 CarbonylContact O-C 3.55Å; S133-G137 PolarHBondContact O-N 2.75Å
134F72.8Confident70.9Confident84 Ų8448.4 Ų48.437%0.36826%0.262SS..Hα-helixtrans-70.2-33.7177.1-149-112000112.9R83 F87 G130 S131 F132R83-F134 VanDerWaalsContact CA-CE1 3.43Å; R83-F134 HydrophobicContact CB-CE1 4.15Å; R83-F134 WeakPolarHBondContact O-CD1 3.29Å; R83-F134 WeakPolarHBondContact O-CE1 3.41Å; F87-F134 HydrophobicContact CB-CD1 4.26Å; F87-F134 VanDerWaalsContact N-CD1 3.34Å; G130-F134 PolarHBondContact O-N 2.76Å; S131-F134 WeakPolarHBondContact O-CB 3.37Å; S131-F134 PolarHBondContact O-N 3.12Å; F132-F134 VanDerWaalsContact C-N 3.29Å; F132-F134 PolarHBondContact O-N 3.19Å
135L68.4Low69.1Low52 Ų5251 Ų5127%0.27228%0.276SS..Hα-helixtrans-73.5-39.2178-169.3119.3000113.1F65 F87 S131 F132 G137F65-L135 HydrophobicContact CE1-CD2 3.7Å; F65-L135 HydrophobicContact CE1-CG 4.17Å; F65-L135 HydrophobicContact CZ-CD2 3.93Å; F87-L135 HydrophobicContact CD1-CD1 3.7Å; F87-L135 HydrophobicContact CD2-CB 3.66Å; F87-L135 HydrophobicContact CD2-CD1 3.72Å; F87-L135 HydrophobicContact CD2-CG 4.32Å; F87-L135 HydrophobicContact CE1-CD1 3.56Å; F87-L135 HydrophobicContact CE2-CB 3.86Å; F87-L135 HydrophobicContact CE2-CD1 3.59Å; F87-L135 HydrophobicContact CE2-CG 4.29Å; F87-L135 HydrophobicContact CG-CB 4.27Å; F87-L135 HydrophobicContact CG-CD1 3.77Å; F87-L135 HydrophobicContact CZ-CD1 3.52Å; S131-L135 PolarHBondContact O-N 3.39Å; S131-L135 VanDerWaalsContact O-N 3.07Å; F132-L135 PolarHBondContact O-N 3.48Å; L135-G137 VanDerWaalsContact C-N 3.3Å
136L61.8Low67.5Low32 Ų3258.3 Ų58.317%0.16831%0.306CS..SBendtrans-84.6-2.5-178.8-81.379.9000113.3W64 A68 F132 H141W64-L136 HydrophobicContact CE3-CD2 3.4Å; W64-L136 HydrophobicContact CE3-CG 4.33Å; W64-L136 HydrophobicContact CZ3-CD2 3.47Å; W64-L136 VanDerWaalsContact CZ3-CD2 3.47Å; A68-L136 VanDerWaalsContact CB-O 3.25Å; A68-L136 WeakPolarHBondContact CB-O 3.07Å; F132-L136 HydrophobicContact CB-CD1 4.37Å; F132-L136 WeakPolarHBondContact O-CD1 3.24Å; F132-L136 PolarHBondContact O-N 2.83Å; L136-H141 HydrophobicContact CB-CB 3.96Å; L136-H141 VanDerWaalsContact CB-ND1 3.27Å; L136-H141 WeakPolarHBondContact CB-ND1 3.4Å; L136-H141 WeakPolarHBondContact CD2-ND1 3.28Å
137G61.2Low65.8Low4 Ų460.1 Ų60.14%0.04132%0.323CS..  trans80.6114.7-17100000110.9S133 L135 C139 N140 H141S133-G137 CarbonylContact O-C 3.55Å; S133-G137 PolarHBondContact O-N 2.75Å; L135-G137 VanDerWaalsContact C-N 3.3Å; G137-C139 VanDerWaalsContact C-N 3.28Å; G137-C139 PolarHBondContact O-N 3.37Å; G137-N140 PolarHBondContact O-N 3.42Å; G137-H141 WeakPolarHBondContact O-CB 3.13Å; G137-H141 PolarHBondContact O-N 2.85Å
138P56.3Low64Low56 Ų5663 Ų6336%0.36434%0.343SS..Hα-helixtrans-63.6-29.3-168.721.6-32.7000113.8I142P138-I142 VanDerWaalsContact O-CB 3.28Å; P138-I142 WeakPolarHBondContact O-CB 3.41Å; P138-I142 WeakPolarHBondContact O-CD1 3.29Å; P138-I142 WeakPolarHBondContact O-CG1 3.38Å; P138-I142 PolarHBondContact O-N 3.38Å
139C53.6Low62.5Low73 Ų7369.1 Ų69.149%0.49337%0.37SS..Hα-helixtrans-76.3-45.1178.4-66.90000111.9D71 G137 K143D71-C139 WeakPolarHBondContact OD2-CB 3.49Å; G137-C139 VanDerWaalsContact C-N 3.28Å; G137-C139 PolarHBondContact O-N 3.37Å; C139-K143 WeakPolarHBondContact O-CB 3.21Å; C139-K143 PolarHBondContact O-N 3.49Å
140N54.9Low61.5Low24 Ų2476.2 Ų76.213%0.12839%0.394CS..Hα-helixtrans-73.1-31.8173.6-168.755.3000113.2Q67 D71 G137 K143 S144Q67-N140 VanDerWaalsContact CG-CG 3.44Å; Q67-N140 WeakPolarHBondContact CG-ND2 3.43Å; Q67-N140 VanDerWaalsContact CG-OD1 3.3Å; Q67-N140 WeakPolarHBondContact CG-OD1 3.33Å; D71-N140 PolarHBondContact OD2-N 2.82Å; G137-N140 PolarHBondContact O-N 3.42Å; N140-K143 PolarHBondContact O-N 2.89Å; N140-S144 WeakPolarHBondContact O-CA 3.29Å; N140-S144 WeakPolarHBondContact O-CB 3.27Å; N140-S144 PolarHBondContact O-N 3.07Å
141H54.8Low60.2Low25 Ų2575.7 Ų75.712%0.11638%0.383CS..Hα-helixtrans-67.1-44.6173.5-166.5121.9000110L136 G137 L145L136-H141 HydrophobicContact CB-CB 3.96Å; L136-H141 VanDerWaalsContact CB-ND1 3.27Å; L136-H141 WeakPolarHBondContact CB-ND1 3.4Å; L136-H141 WeakPolarHBondContact CD2-ND1 3.28Å; G137-H141 WeakPolarHBondContact O-CB 3.13Å; G137-H141 PolarHBondContact O-N 2.85Å; H141-L145 WeakPolarHBondContact CD2-CD1 3.24Å; H141-L145 WeakPolarHBondContact CD2-CG 3.2Å; H141-L145 VanDerWaalsContact NE2-CD1 3.31Å; H141-L145 WeakPolarHBondContact NE2-CD1 3.42Å; H141-L145 WeakPolarHBondContact O-CA 3.13Å; H141-L145 WeakPolarHBondContact O-CB 3.13Å; H141-L145 WeakPolarHBondContact O-CG 3.1Å; H141-L145 PolarHBondContact O-N 3.49Å
142I57.6Low59.1Low98 Ų9883.1 Ų83.150%0.50342%0.416SS..Hα-helixtrans-67-39.2174.4-69.1166.5000111.3P138 L145 F146P138-I142 VanDerWaalsContact O-CB 3.28Å; P138-I142 WeakPolarHBondContact O-CB 3.41Å; P138-I142 WeakPolarHBondContact O-CD1 3.29Å; P138-I142 WeakPolarHBondContact O-CG1 3.38Å; P138-I142 PolarHBondContact O-N 3.38Å; I142-L145 CarbonylContact O-C 3.32Å; I142-L145 WeakPolarHBondContact O-CA 3.43Å; I142-L145 PolarHBondContact O-N 2.85Å; I142-F146 HydrophobicContact CG2-CD2 4.19Å; I142-F146 HydrophobicContact CG2-CE2 4.48Å; I142-F146 WeakPolarHBondContact O-CD2 3.19Å; I142-F146 PolarHBondContact O-N 2.99Å
143K54.6Low58.4Low161 Ų16180.3 Ų80.370%0.740%0.403SS*.Hα-helixtrans-69.9-39.9179.4-168.2170.7-178.2175.90112.6C139 N140 L145 F146 S147C139-K143 WeakPolarHBondContact O-CB 3.21Å; C139-K143 PolarHBondContact O-N 3.49Å; N140-K143 PolarHBondContact O-N 2.89Å; K143-L145 VanDerWaalsContact C-N 3.34Å; K143-F146 PolarHBondContact O-N 2.82Å; K143-S147 PolarHBondContact O-N 3.45Å
144S51.5Low58.1Low47 Ų4781.3 Ų81.333%0.32941%0.408SS..Hα-helixtrans-72.5-28.4170.1-174.30000111.7N140 F146 S147N140-S144 WeakPolarHBondContact O-CA 3.29Å; N140-S144 WeakPolarHBondContact O-CB 3.27Å; N140-S144 PolarHBondContact O-N 3.07Å; S144-F146 PolarHBondContact O-N 3.43Å; S144-S147 PolarHBondContact O-N 2.8Å
145L51.5Low57.9Low55 Ų5581.9 Ų81.929%0.28842%0.415SS..THydrogen-bonded Turntrans-76.91.6170.1-77-172.2000113.7H141 I142 K143 L151 T154H141-L145 WeakPolarHBondContact CD2-CD1 3.24Å; H141-L145 WeakPolarHBondContact CD2-CG 3.2Å; H141-L145 VanDerWaalsContact NE2-CD1 3.31Å; H141-L145 WeakPolarHBondContact NE2-CD1 3.42Å; H141-L145 WeakPolarHBondContact O-CA 3.13Å; H141-L145 WeakPolarHBondContact O-CB 3.13Å; H141-L145 WeakPolarHBondContact O-CG 3.1Å; H141-L145 PolarHBondContact O-N 3.49Å; I142-L145 CarbonylContact O-C 3.32Å; I142-L145 WeakPolarHBondContact O-CA 3.43Å; I142-L145 PolarHBondContact O-N 2.85Å; K143-L145 VanDerWaalsContact C-N 3.34Å; L145-L151 VanDerWaalsContact C-CD2 3.46Å; L145-L151 HydrophobicContact CB-CD2 3.89Å; L145-L151 HydrophobicContact CD2-CD2 3.37Å; L145-L151 HydrophobicContact CG-CD2 4.19Å; L145-L151 WeakPolarHBondContact O-CB 3.25Å; L145-L151 WeakPolarHBondContact O-CD1 3.24Å; L145-L151 WeakPolarHBondContact O-CD2 3.36Å; L145-L151 VanDerWaalsContact O-CG 3.27Å; L145-L151 WeakPolarHBondContact O-CG 3.35Å; L145-T154 HydrophobicContact CD2-CG2 4.44Å
146F53.8Low58.1Low163 Ų16382.2 Ų82.272%0.71542%0.422SS*.THydrogen-bonded Turntrans-112.60.6169.4-98.6-93.6000113.1I142 K143 S144 T148 L151I142-F146 HydrophobicContact CG2-CD2 4.19Å; I142-F146 HydrophobicContact CG2-CE2 4.48Å; I142-F146 WeakPolarHBondContact O-CD2 3.19Å; I142-F146 PolarHBondContact O-N 2.99Å; K143-F146 PolarHBondContact O-N 2.82Å; S144-F146 PolarHBondContact O-N 3.43Å; F146-T148 PolarHBondContact O-N 3.3Å; F146-T148 VanDerWaalsContact O-N 3.12Å; F146-L151 VanDerWaalsContact CA-CD1 3.44Å; F146-L151 VanDerWaalsContact N-CD1 3.32Å
147S51.2Low58.7Low84 Ų8482.5 Ų82.559%0.58742%0.421SS*.SBendtrans-80.180.7171.7-161.40000114.4K143 S144 E149 L151K143-S147 PolarHBondContact O-N 3.45Å; S144-S147 PolarHBondContact O-N 2.8Å; S147-E149 PolarHBondContact O-N 3.49Å; S147-L151 WeakPolarHBondContact O-CD1 3.34Å
148T49.5Very low59.4Low106 Ų10684 Ų8465%0.6543%0.428SS*.THydrogen-bonded Turntrans30.7-34.1161.7-40.10000124.2F146F146-T148 PolarHBondContact O-N 3.3Å; F146-T148 VanDerWaalsContact O-N 3.12Å
149E57.3Low60.4Low187 Ų18785.7 Ų85.787%0.87444%0.437SS*.THydrogen-bonded Turntrans-99.7-23.2-164.1-98.1-177.7125.200117.2S147S147-E149 PolarHBondContact O-N 3.49Å
150R61.3Low61.5Low192 Ų19283.3 Ų83.373%0.72542%0.421SS*.SBendtrans-128.97.9-177.2-64.7-176.5-176.9-177.80.9114.5F153R150-F153 WeakPolarHBondContact O-CB 3.12Å
151L55.3Low62.5Low23 Ų2382.1 Ų82.112%0.1242%0.415CS..Hα-helixtrans-97.3-29.4-163.2-61.8163.8000113.3L145 F146 S147 F153 T154 L155L145-L151 VanDerWaalsContact C-CD2 3.46Å; L145-L151 HydrophobicContact CB-CD2 3.89Å; L145-L151 HydrophobicContact CD2-CD2 3.37Å; L145-L151 HydrophobicContact CG-CD2 4.19Å; L145-L151 WeakPolarHBondContact O-CB 3.25Å; L145-L151 WeakPolarHBondContact O-CD1 3.24Å; L145-L151 WeakPolarHBondContact O-CD2 3.36Å; L145-L151 VanDerWaalsContact O-CG 3.27Å; L145-L151 WeakPolarHBondContact O-CG 3.35Å; F146-L151 VanDerWaalsContact CA-CD1 3.44Å; F146-L151 VanDerWaalsContact N-CD1 3.32Å; S147-L151 WeakPolarHBondContact O-CD1 3.34Å; L151-F153 PolarHBondContact O-N 3.49Å; L151-T154 PolarHBondContact O-N 2.86Å; L151-L155 WeakPolarHBondContact O-CB 3.16Å; L151-L155 PolarHBondContact O-N 3.44Å
152F61Low63.7Low156 Ų15686 Ų8668%0.68443%0.432SS*.Hα-helixtrans-53.1-36.3164.2-65.3-71.5000110.6S156F152-S156 WeakPolarHBondContact O-CA 3.37Å; F152-S156 WeakPolarHBondContact O-CB 3.14Å; F152-S156 PolarHBondContact O-N 3.19Å
153F65Low64.4Low40 Ų4083.3 Ų83.318%0.17543%0.427CS..Hα-helixtrans-66.3-56.2176.1-172.6-83.9000112.2R150 L151 L155 S156 Y157 L187 W190 Q191R150-F153 WeakPolarHBondContact O-CB 3.12Å; L151-F153 PolarHBondContact O-N 3.49Å; F153-L155 PolarHBondContact O-N 3.33Å; F153-S156 PolarHBondContact O-N 2.79Å; F153-Y157 PolarHBondContact O-N 3.26Å; F153-L187 WeakPolarHBondContact CZ-O 3.16Å; F153-W190 AromaticContact CE2-CD1 3.84Å; F153-Q191 HydrophobicContact CD1-CB 4.28Å; F153-Q191 HydrophobicContact CD1-CG 3.75Å; F153-Q191 HydrophobicContact CE1-CB 3.36Å; F153-Q191 HydrophobicContact CE1-CG 3.2Å; F153-Q191 HydrophobicContact CE2-CB 3.98Å; F153-Q191 HydrophobicContact CE2-CG 4.43Å; F153-Q191 HydrophobicContact CZ-CB 3.21Å; F153-Q191 HydrophobicContact CZ-CG 3.65Å; F153-Q191 VanDerWaalsContact CZ-OE1 3.24Å
154T67Low65.3Low45 Ų4575.8 Ų75.828%0.27640%0.395SS..Hα-helixtrans-63.2-43.6-177.9-56.10000111.4L145 L151 Y157 L158L145-T154 HydrophobicContact CD2-CG2 4.44Å; L151-T154 PolarHBondContact O-N 2.86Å; T154-Y157 WeakPolarHBondContact O-CB 3.4Å; T154-Y157 PolarHBondContact O-N 3.37Å; T154-L158 HydrophobicContact CG2-CD1 3.86Å; T154-L158 WeakPolarHBondContact O-CD1 3.27Å; T154-L158 PolarHBondContact O-N 3.48Å
155L69.1Low66.3Low96 Ų9675.6 Ų75.650%0.50339%0.391SS..Hα-helixtrans-64.5-40.3176.8-170.566.5000111.1L151 F153 Y157 L158 V159L151-L155 WeakPolarHBondContact O-CB 3.16Å; L151-L155 PolarHBondContact O-N 3.44Å; F153-L155 PolarHBondContact O-N 3.33Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-Y157 PolarHBondContact O-N 2.78Å; L155-L158 PolarHBondContact O-N 3.39Å; L155-V159 HydrophobicContact CG-CG2 4.35Å; L155-V159 WeakPolarHBondContact O-CB 3.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.34Å; L155-V159 PolarHBondContact O-N 3Å
156S72Confident67.6Low60 Ų6080.8 Ų80.842%0.4241%0.407SS..Hα-helixtrans-61.6-41173.9-178.60000111.5F152 F153 V159 S160F152-S156 WeakPolarHBondContact O-CA 3.37Å; F152-S156 WeakPolarHBondContact O-CB 3.14Å; F152-S156 PolarHBondContact O-N 3.19Å; F153-S156 PolarHBondContact O-N 2.79Å; S156-V159 PolarHBondContact O-N 2.98Å; S156-S160 WeakPolarHBondContact O-CB 3.12Å; S156-S160 PolarHBondContact O-N 3.29Å
157Y74Confident68.3Low37 Ų3773.1 Ų73.115%0.14538%0.375CS..Hα-helixtrans-62.1-45.7173.1178.6-110.7000112I129 F153 T154 L155 S160 L161 L187 V188I129-Y157 HydrophobicContact CD1-CD1 4.24Å; I129-Y157 HydrophobicContact CD1-CE1 3.96Å; F153-Y157 PolarHBondContact O-N 3.26Å; T154-Y157 WeakPolarHBondContact O-CB 3.4Å; T154-Y157 PolarHBondContact O-N 3.37Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-Y157 PolarHBondContact O-N 2.78Å; Y157-S160 PolarHBondContact O-N 2.91Å; Y157-L161 HydrophobicContact CD1-CD1 3.9Å; Y157-L161 HydrophobicContact CD1-CG 4.46Å; Y157-L161 HydrophobicContact CE1-CD1 3.4Å; Y157-L161 HydrophobicContact CE1-CG 4.07Å; Y157-L161 HydrophobicContact CE2-CD1 4.48Å; Y157-L161 HydrophobicContact CE2-CD2 4.49Å; Y157-L161 HydrophobicContact CE2-CG 4.28Å; Y157-L161 WeakPolarHBondContact O-CG 3.37Å; Y157-L161 PolarHBondContact O-N 3.35Å; Y157-L187 HydrophobicContact CD2-CB 4.37Å; Y157-V188 HydrophobicContact CD2-CG2 4.18Å; Y157-V188 HydrophobicContact CE2-CG2 3.47Å; Y157-V188 VanDerWaalsContact CE2-CG2 3.47Å
158L76.2Confident69.1Low36 Ų3669.5 Ų69.519%0.18835%0.349CS..Hα-helixtrans-61.6-46.2175.2-92.671.4000111.5I129 T154 L155 S160 L161 F162I129-L158 HydrophobicContact CD1-CD1 3.62Å; I129-L158 HydrophobicContact CD1-CG 4.27Å; I129-L158 HydrophobicContact CG2-CD1 4.35Å; T154-L158 HydrophobicContact CG2-CD1 3.86Å; T154-L158 WeakPolarHBondContact O-CD1 3.27Å; T154-L158 PolarHBondContact O-N 3.48Å; L155-L158 PolarHBondContact O-N 3.39Å; L158-S160 VanDerWaalsContact C-N 3.25Å; L158-S160 PolarHBondContact O-N 3.25Å; L158-L161 CarbonylContact O-C 3.32Å; L158-L161 WeakPolarHBondContact O-CA 2.94Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 2.96Å; L158-L161 VanDerWaalsContact O-N 3.09Å; L158-F162 HydrophobicContact CB-CD2 4.46Å; L158-F162 HydrophobicContact CB-CE2 4.5Å; L158-F162 WeakPolarHBondContact O-CD2 3.44Å; L158-F162 PolarHBondContact O-N 3.39Å
159V76.5Confident70.1Confident91 Ų9169.1 Ų69.155%0.55235%0.346SS*.Hα-helixtrans-60.8-38.1177.1169.20000110.4L155 S156 G163L155-V159 HydrophobicContact CG-CG2 4.35Å; L155-V159 WeakPolarHBondContact O-CB 3.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.34Å; L155-V159 PolarHBondContact O-N 3Å; S156-V159 PolarHBondContact O-N 2.98Å; V159-G163 WeakPolarHBondContact O-CA 3.19Å; V159-G163 PolarHBondContact O-N 3.23Å
160S77.9Confident70.9Confident23 Ų2364.2 Ų64.216%0.16133%0.329CS..Hα-helixtrans-69.7-34174.1-170.30000112.8S156 Y157 L158 G164 Q184 L187S156-S160 WeakPolarHBondContact O-CB 3.12Å; S156-S160 PolarHBondContact O-N 3.29Å; Y157-S160 PolarHBondContact O-N 2.91Å; L158-S160 VanDerWaalsContact C-N 3.25Å; L158-S160 PolarHBondContact O-N 3.25Å; S160-G164 PolarHBondContact O-N 3.49Å; S160-Q184 PolarHBondContact O-NE2 3.4Å; S160-L187 WeakPolarHBondContact OG-CD1 3.28Å
161L75.3Confident71.1Confident0 Ų063.6 Ų63.60%033%0.326CS..Hα-helixtrans-65.1-51.2171.4-76.8174.2000111.5T122 I126 I129 Y157 L158 G163 G164 L165 Q184T122-L161 HydrophobicContact CG2-CD2 3.92Å; I126-L161 HydrophobicContact CG1-CD1 4.32Å; I129-L161 HydrophobicContact CD1-CD1 3.92Å; Y157-L161 HydrophobicContact CD1-CD1 3.9Å; Y157-L161 HydrophobicContact CD1-CG 4.46Å; Y157-L161 HydrophobicContact CE1-CD1 3.4Å; Y157-L161 HydrophobicContact CE1-CG 4.07Å; Y157-L161 HydrophobicContact CE2-CD1 4.48Å; Y157-L161 HydrophobicContact CE2-CD2 4.49Å; Y157-L161 HydrophobicContact CE2-CG 4.28Å; Y157-L161 WeakPolarHBondContact O-CG 3.37Å; Y157-L161 PolarHBondContact O-N 3.35Å; L158-L161 CarbonylContact O-C 3.32Å; L158-L161 WeakPolarHBondContact O-CA 2.94Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 2.96Å; L158-L161 VanDerWaalsContact O-N 3.09Å; L161-G163 VanDerWaalsContact C-N 3.35Å; L161-G164 PolarHBondContact O-N 3.35Å; L161-L165 WeakPolarHBondContact O-CB 3.22Å; L161-L165 PolarHBondContact O-N 3.18Å; L161-Q184 HydrophobicContact CD2-CG 4.33Å
162F80.9Confident71.8Confident107 Ų10768.9 Ų68.947%0.46935%0.351SS..Hα-helixtrans-64.8-39.9177.6-77.8-69.9000111.7I126 L158 G164 L165 Y166I126-F162 HydrophobicContact CD1-CD1 4.48Å; I126-F162 HydrophobicContact CD1-CE1 4.11Å; I126-F162 HydrophobicContact CD1-CZ 4.27Å; L158-F162 HydrophobicContact CB-CD2 4.46Å; L158-F162 HydrophobicContact CB-CE2 4.5Å; L158-F162 WeakPolarHBondContact O-CD2 3.44Å; L158-F162 PolarHBondContact O-N 3.39Å; F162-G164 VanDerWaalsContact C-N 3.34Å; F162-L165 PolarHBondContact O-N 3.47Å; F162-Y166 WeakPolarHBondContact O-CB 3.35Å; F162-Y166 PolarHBondContact O-N 3.49Å
163G72.4Confident72.3Confident40 Ų4063.8 Ų63.841%0.41233%0.334SS..Hα-helixtrans-61.5-42.9173.500000111.5V159 L161 Y166 A167V159-G163 WeakPolarHBondContact O-CA 3.19Å; V159-G163 PolarHBondContact O-N 3.23Å; L161-G163 VanDerWaalsContact C-N 3.35Å; G163-Y166 PolarHBondContact O-N 3.07Å; G163-A167 WeakPolarHBondContact O-CB 3.45Å; G163-A167 PolarHBondContact O-N 2.8Å
164G72.3Confident72.5Confident3 Ų362.9 Ų62.93%0.03133%0.334CS..Hα-helixtrans-68.3-35.417500000113.9S160 L161 F162 A167 V168S160-G164 PolarHBondContact O-N 3.49Å; L161-G164 PolarHBondContact O-N 3.35Å; F162-G164 VanDerWaalsContact C-N 3.34Å; G164-A167 WeakPolarHBondContact O-CB 3.2Å; G164-V168 VanDerWaalsContact O-CG2 3.25Å; G164-V168 WeakPolarHBondContact O-CG2 3.23Å; G164-V168 PolarHBondContact O-N 3.26Å; G164-V168 VanDerWaalsContact O-N 3.16Å
165L72.6Confident73Confident44 Ų4466.7 Ų66.723%0.2335%0.351CS..Hα-helixtrans-68.2-49.3173.2178.959.6000110.8L119 I126 L161 F162 A167 V168 V169L119-L165 HydrophobicContact CD2-CD1 3.23Å; I126-L165 HydrophobicContact CD1-CD2 4.37Å; L161-L165 WeakPolarHBondContact O-CB 3.22Å; L161-L165 PolarHBondContact O-N 3.18Å; F162-L165 PolarHBondContact O-N 3.47Å; L165-A167 VanDerWaalsContact C-N 3.25Å; L165-A167 PolarHBondContact O-N 2.86Å; L165-V168 PolarHBondContact O-N 2.79Å; L165-V168 VanDerWaalsContact O-N 3.14Å; L165-V169 HydrophobicContact CD1-CG2 4.09Å; L165-V169 HydrophobicContact CG-CG2 4.48Å; L165-V169 WeakPolarHBondContact O-CB 3.27Å; L165-V169 VanDerWaalsContact O-CG2 3.3Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 3.13Å
166Y78.8Confident73.2Confident163 Ų16365.6 Ų65.664%0.63934%0.343SS*.Hα-helixtrans-58.7-41.8177.3-172.2-99.1000110.7F162 G163 V168 V169 V170F162-Y166 WeakPolarHBondContact O-CB 3.35Å; F162-Y166 PolarHBondContact O-N 3.49Å; G163-Y166 PolarHBondContact O-N 3.07Å; Y166-V168 PolarHBondContact O-N 3.39Å; Y166-V169 PolarHBondContact O-N 2.96Å; Y166-V170 HydrophobicContact CD1-CG2 4.01Å; Y166-V170 HydrophobicContact CD2-CG2 3.87Å; Y166-V170 HydrophobicContact CE1-CB 4.33Å; Y166-V170 HydrophobicContact CE1-CG2 3.77Å; Y166-V170 HydrophobicContact CE2-CG2 3.62Å; Y166-V170 HydrophobicContact CG-CG2 4.06Å; Y166-V170 WeakPolarHBondContact O-CB 2.92Å; Y166-V170 VanDerWaalsContact O-CG2 3.26Å; Y166-V170 WeakPolarHBondContact O-CG2 3.22Å; Y166-V170 PolarHBondContact O-N 3.23Å
167A69.1Low73.3Confident3 Ų362.8 Ų62.83%0.02532%0.323CS..Hα-helixtrans-54.1-49.4172.800000113.8G163 G164 L165 W171 F176G163-A167 WeakPolarHBondContact O-CB 3.45Å; G163-A167 PolarHBondContact O-N 2.8Å; G164-A167 WeakPolarHBondContact O-CB 3.2Å; L165-A167 VanDerWaalsContact C-N 3.25Å; L165-A167 PolarHBondContact O-N 2.86Å; A167-W171 VanDerWaalsContact O-CB 3.3Å; A167-W171 WeakPolarHBondContact O-CB 3.04Å; A167-W171 PolarHBondContact O-N 3.07Å; A167-F176 VanDerWaalsContact CA-CD1 3.48Å; A167-F176 HydrophobicContact CB-CD1 3.14Å; A167-F176 HydrophobicContact CB-CE1 2.91Å; A167-F176 HydrophobicContact CB-CG 4.17Å; A167-F176 HydrophobicContact CB-CZ 3.78Å
168V68.5Low73.6Confident7 Ų762.3 Ų62.34%0.04233%0.327CS..Hα-helixtrans-70.4-40.9-178.8175.40000111.6R115 V118 L119 G164 L165 Y166 Q172 S177R115-V168 HydrophobicContact CB-CG1 4.27Å; V118-V168 HydrophobicContact CB-CG2 4.25Å; V118-V168 HydrophobicContact CG1-CG2 3.82Å; L119-V168 HydrophobicContact CD1-CG1 4.3Å; L119-V168 HydrophobicContact CD2-CB 4.17Å; L119-V168 HydrophobicContact CD2-CG1 3.78Å; L119-V168 HydrophobicContact CG-CG1 3.82Å; G164-V168 VanDerWaalsContact O-CG2 3.25Å; G164-V168 WeakPolarHBondContact O-CG2 3.23Å; G164-V168 PolarHBondContact O-N 3.26Å; G164-V168 VanDerWaalsContact O-N 3.16Å; L165-V168 PolarHBondContact O-N 2.79Å; L165-V168 VanDerWaalsContact O-N 3.14Å; Y166-V168 PolarHBondContact O-N 3.39Å; V168-Q172 PolarHBondContact O-N 2.98Å; V168-S177 WeakPolarHBondContact CG2-OG 3.38Å
169V69.7Low73.9Confident99 Ų9965.3 Ų65.360%0.634%0.343SS*.Hα-helixtrans-70.6-43.3-178.7173.60000111.2L119 L165 Y166L119-V169 HydrophobicContact CD2-CG2 4.15Å; L165-V169 HydrophobicContact CD1-CG2 4.09Å; L165-V169 HydrophobicContact CG-CG2 4.48Å; L165-V169 WeakPolarHBondContact O-CB 3.27Å; L165-V169 VanDerWaalsContact O-CG2 3.3Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 3.13Å; Y166-V169 PolarHBondContact O-N 2.96Å
170V73.4Confident74Confident83 Ų8361.6 Ų61.650%0.50332%0.321SS..Hα-helixtrans-83.9-45.8-174.4176.50000112.2Y166Y166-V170 HydrophobicContact CD1-CG2 4.01Å; Y166-V170 HydrophobicContact CD2-CG2 3.87Å; Y166-V170 HydrophobicContact CE1-CB 4.33Å; Y166-V170 HydrophobicContact CE1-CG2 3.77Å; Y166-V170 HydrophobicContact CE2-CG2 3.62Å; Y166-V170 HydrophobicContact CG-CG2 4.06Å; Y166-V170 WeakPolarHBondContact O-CB 2.92Å; Y166-V170 VanDerWaalsContact O-CG2 3.26Å; Y166-V170 WeakPolarHBondContact O-CG2 3.22Å; Y166-V170 PolarHBondContact O-N 3.23Å
171W66.2Low74.1Confident179 Ų17961.7 Ų61.768%0.67832%0.32SS*.Hα-helixtrans-92.1-10.6-170.4-128-42.8000113.9A167 S173 F176A167-W171 VanDerWaalsContact O-CB 3.3Å; A167-W171 WeakPolarHBondContact O-CB 3.04Å; A167-W171 PolarHBondContact O-N 3.07Å; W171-S173 PolarHBondContact O-N 2.82Å; W171-F176 HydrophobicContact CB-CD1 3.8Å; W171-F176 HydrophobicContact CB-CE1 4.49Å; W171-F176 HydrophobicContact CB-CG 4.5Å; W171-F176 HydrophobicContact CD2-CD1 4.16Å; W171-F176 HydrophobicContact CD2-CE1 4.32Å; W171-F176 AromaticContact CE3-CD1 3.62Å; W171-F176 HydrophobicContact CE3-CD1 3.62Å; W171-F176 AromaticContact CE3-CE1 3.35Å; W171-F176 HydrophobicContact CE3-CE1 3.35Å; W171-F176 HydrophobicContact CE3-CE2 4.33Å; W171-F176 HydrophobicContact CE3-CG 4.23Å; W171-F176 AromaticContact CE3-CZ 3.8Å; W171-F176 HydrophobicContact CE3-CZ 3.8Å; W171-F176 HydrophobicContact CG-CD1 4.29Å; W171-F176 HydrophobicContact CZ3-CD1 4.49Å; W171-F176 AromaticContact CZ3-CE1 3.94Å; W171-F176 HydrophobicContact CZ3-CE1 3.94Å; W171-F176 HydrophobicContact CZ3-CE2 4.32Å; W171-F176 AromaticContact CZ3-CZ 3.9Å; W171-F176 HydrophobicContact CZ3-CZ 3.9Å
172Q70.4Confident74.5Confident135 Ų13566.2 Ų66.263%0.63134%0.343SS*.  trans49.94.7176.7-136.6-160.5-18.800117R115 V168R115-Q172 WeakPolarHBondContact CD-O 3.36Å; R115-Q172 PolarHBondContact NH1-O 3.16Å; V168-Q172 PolarHBondContact O-N 2.98Å
173S70.3Confident74.6Confident48 Ų4863.8 Ų63.834%0.33634%0.339SS..  trans-96.5133-172.6-179.30000111.1W171 I175 F176 S177W171-S173 PolarHBondContact O-N 2.82Å; S173-I175 PolarHBondContact O-N 2.96Å; S173-F176 PolarHBondContact O-N 3.35Å; S173-S177 PolarHBondContact O-N 3.44Å
174A71Confident75.1Confident21 Ų2161.9 Ų61.917%0.17432%0.32CS..Hα-helixtrans-60.9-30.5179.300000112.5P111 M114 S177 A178P111-A174 HydrophobicContact CB-CB 4.5Å; M114-A174 HydrophobicContact CE-CB 3.83Å; M114-A174 WeakPolarHBondContact CE-O 2.98Å; A174-S177 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 3Å
175I76Confident75.7Confident125 Ų12566 Ų6664%0.64134%0.34SS*.Hα-helixtrans-67.5-46.6-178.4-58.5168.5000110.3S173 S177 A178 L179S173-I175 PolarHBondContact O-N 2.96Å; I175-S177 VanDerWaalsContact C-N 3.32Å; I175-S177 PolarHBondContact O-N 2.98Å; I175-A178 PolarHBondContact O-N 3.22Å; I175-L179 HydrophobicContact CG2-CD1 4.37Å; I175-L179 WeakPolarHBondContact O-CG 3.46Å; I175-L179 PolarHBondContact O-N 2.99Å
176F73.8Confident76.3Confident74 Ų7467.6 Ų67.633%0.32535%0.354SS..Hα-helixtrans-68.7-36.7-178.4-163.2-130.8000111.6A167 W171 S173 A178 L179 A180A167-F176 VanDerWaalsContact CA-CD1 3.48Å; A167-F176 HydrophobicContact CB-CD1 3.14Å; A167-F176 HydrophobicContact CB-CE1 2.91Å; A167-F176 HydrophobicContact CB-CG 4.17Å; A167-F176 HydrophobicContact CB-CZ 3.78Å; W171-F176 HydrophobicContact CB-CD1 3.8Å; W171-F176 HydrophobicContact CB-CE1 4.49Å; W171-F176 HydrophobicContact CB-CG 4.5Å; W171-F176 HydrophobicContact CD2-CD1 4.16Å; W171-F176 HydrophobicContact CD2-CE1 4.32Å; W171-F176 AromaticContact CE3-CD1 3.62Å; W171-F176 HydrophobicContact CE3-CD1 3.62Å; W171-F176 AromaticContact CE3-CE1 3.35Å; W171-F176 HydrophobicContact CE3-CE1 3.35Å; W171-F176 HydrophobicContact CE3-CE2 4.33Å; W171-F176 HydrophobicContact CE3-CG 4.23Å; W171-F176 AromaticContact CE3-CZ 3.8Å; W171-F176 HydrophobicContact CE3-CZ 3.8Å; W171-F176 HydrophobicContact CG-CD1 4.29Å; W171-F176 HydrophobicContact CZ3-CD1 4.49Å; W171-F176 AromaticContact CZ3-CE1 3.94Å; W171-F176 HydrophobicContact CZ3-CE1 3.94Å; W171-F176 HydrophobicContact CZ3-CE2 4.32Å; W171-F176 AromaticContact CZ3-CZ 3.9Å; W171-F176 HydrophobicContact CZ3-CZ 3.9Å; S173-F176 PolarHBondContact O-N 3.35Å; F176-A178 VanDerWaalsContact C-N 3.34Å; F176-A178 PolarHBondContact O-N 3.07Å; F176-L179 PolarHBondContact O-N 3.28Å; F176-A180 WeakPolarHBondContact O-CB 3.38Å; F176-A180 PolarHBondContact O-N 3.3Å
177S75.1Confident76.4Confident0 Ų061.4 Ų61.40%033%0.332CS..Hα-helixtrans-56.9-45170.6-167.20000112.5V118 V168 S173 A174 I175 L181V118-S177 VanDerWaalsContact CB-OG 3.31Å; V118-S177 WeakPolarHBondContact CB-OG 3.18Å; V118-S177 WeakPolarHBondContact CG2-OG 3.48Å; V168-S177 WeakPolarHBondContact CG2-OG 3.38Å; S173-S177 PolarHBondContact O-N 3.44Å; A174-S177 WeakPolarHBondContact O-CB 3.38Å; I175-S177 VanDerWaalsContact C-N 3.32Å; I175-S177 PolarHBondContact O-N 2.98Å; S177-L181 PolarHBondContact O-N 3.21Å; S177-L181 VanDerWaalsContact O-N 3.08Å
178A79.4Confident76.9Confident27 Ų2763.9 Ų63.922%0.22335%0.347CS..Hα-helixtrans-67.5-43.1179.700000111.7M114 A174 I175 F176 A180 L181 I182M114-A178 HydrophobicContact CE-CB 4.06Å; A174-A178 PolarHBondContact O-N 3Å; I175-A178 PolarHBondContact O-N 3.22Å; F176-A178 VanDerWaalsContact C-N 3.34Å; F176-A178 PolarHBondContact O-N 3.07Å; A178-A180 VanDerWaalsContact C-N 3.33Å; A178-A180 PolarHBondContact O-N 3.39Å; A178-L181 PolarHBondContact O-N 3.03Å; A178-I182 WeakPolarHBondContact O-CD1 3.43Å; A178-I182 VanDerWaalsContact O-CG1 3.22Å; A178-I182 WeakPolarHBondContact O-CG1 3.27Å; A178-I182 PolarHBondContact O-N 3.45Å
179L82.6Confident77.5Confident100 Ų10067 Ų6752%0.52437%0.365SS..Hα-helixtrans-61-42.1176.6-69.4175.3000112.1I175 F176 I182 S183I175-L179 HydrophobicContact CG2-CD1 4.37Å; I175-L179 WeakPolarHBondContact O-CG 3.46Å; I175-L179 PolarHBondContact O-N 2.99Å; F176-L179 PolarHBondContact O-N 3.28Å; L179-I182 PolarHBondContact O-N 2.7Å; L179-S183 WeakPolarHBondContact O-CB 3.39Å; L179-S183 PolarHBondContact O-N 2.87Å
180A78.3Confident78.1Confident13 Ų1370.5 Ų70.511%0.10737%0.368CS..Hα-helixtrans-62.3-44.7175.300000112.1F176 A178 S183 Q184F176-A180 WeakPolarHBondContact O-CB 3.38Å; F176-A180 PolarHBondContact O-N 3.3Å; A178-A180 VanDerWaalsContact C-N 3.33Å; A178-A180 PolarHBondContact O-N 3.39Å; A180-S183 WeakPolarHBondContact O-CB 3.36Å; A180-S183 PolarHBondContact O-N 3.43Å; A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.49Å; A180-Q184 PolarHBondContact O-N 3.43Å
181L81Confident78.1Confident25 Ų2569 Ų6913%0.13136%0.355CS..Hα-helixtrans-63-42.1177.1-177.271.3000111.9Y117 V118 S177 A178 S183 Q184 I185Y117-L181 HydrophobicContact CD1-CD2 4.08Å; Y117-L181 HydrophobicContact CE1-CD1 4.01Å; Y117-L181 HydrophobicContact CE1-CD2 3.56Å; Y117-L181 HydrophobicContact CE1-CG 4.43Å; V118-L181 HydrophobicContact CG2-CB 4.07Å; V118-L181 HydrophobicContact CG2-CD1 4.42Å; V118-L181 HydrophobicContact CG2-CD2 4.21Å; V118-L181 HydrophobicContact CG2-CG 4.47Å; S177-L181 PolarHBondContact O-N 3.21Å; S177-L181 VanDerWaalsContact O-N 3.08Å; A178-L181 PolarHBondContact O-N 3.03Å; L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 2.73Å; L181-Q184 WeakPolarHBondContact O-CB 3.11Å; L181-Q184 PolarHBondContact O-N 2.75Å; L181-I185 HydrophobicContact CG-CD1 4.09Å; L181-I185 VanDerWaalsContact O-CG1 3.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.02Å; L181-I185 PolarHBondContact O-N 2.94Å
182I83.9Confident78.6Confident95 Ų9564.6 Ų64.649%0.48734%0.344SS..Hα-helixtrans-60.5-45.6175.5-68.3162.2000110.2A178 L179 Q184 I185 C186A178-I182 WeakPolarHBondContact O-CD1 3.43Å; A178-I182 VanDerWaalsContact O-CG1 3.22Å; A178-I182 WeakPolarHBondContact O-CG1 3.27Å; A178-I182 PolarHBondContact O-N 3.45Å; L179-I182 PolarHBondContact O-N 2.7Å; I182-Q184 VanDerWaalsContact C-N 3.34Å; I182-Q184 PolarHBondContact O-N 2.97Å; I182-I185 PolarHBondContact O-N 2.96Å; I182-C186 WeakPolarHBondContact O-CB 3.04Å; I182-C186 PolarHBondContact O-N 2.94Å; I182-C186 PolarHBondContact O-SG 3.5Å; I182-C186 VanDerWaalsContact O-SG 3.34Å
183S82Confident78.9Confident55 Ų5562.7 Ų62.739%0.38534%0.337SS..Hα-helixtrans-60-42.4175.9-175.90000112.2L179 A180 L181 C186 L187L179-S183 WeakPolarHBondContact O-CB 3.39Å; L179-S183 PolarHBondContact O-N 2.87Å; A180-S183 WeakPolarHBondContact O-CB 3.36Å; A180-S183 PolarHBondContact O-N 3.43Å; L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 2.73Å; S183-C186 PolarHBondContact O-N 3.47Å; S183-L187 WeakPolarHBondContact O-CG 3.14Å; S183-L187 PolarHBondContact O-N 2.8Å
184Q83.7Confident79.1Confident1 Ų163.6 Ų63.61%0.00535%0.348CS..Hα-helixtrans-60.7-45.9174.9-71.8166.9700111.7S160 L161 A180 L181 I182 C186 L187 V188S160-Q184 PolarHBondContact O-NE2 3.4Å; L161-Q184 HydrophobicContact CD2-CG 4.33Å; A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.49Å; A180-Q184 PolarHBondContact O-N 3.43Å; L181-Q184 WeakPolarHBondContact O-CB 3.11Å; L181-Q184 PolarHBondContact O-N 2.75Å; I182-Q184 VanDerWaalsContact C-N 3.34Å; I182-Q184 PolarHBondContact O-N 2.97Å; Q184-C186 PolarHBondContact O-N 2.85Å; Q184-L187 PolarHBondContact O-N 3.45Å; Q184-V188 WeakPolarHBondContact O-CG2 3.35Å; Q184-V188 PolarHBondContact O-N 3.36Å
185I83.9Confident79Confident89 Ų8966.2 Ų66.246%0.45636%0.362SS..Hα-helixtrans-62.4-44.1176.9-66.2165.1000110.2L181 I182 L187 V188 V189L181-I185 HydrophobicContact CG-CD1 4.09Å; L181-I185 VanDerWaalsContact O-CG1 3.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.02Å; L181-I185 PolarHBondContact O-N 2.94Å; I182-I185 PolarHBondContact O-N 2.96Å; I185-L187 VanDerWaalsContact C-N 3.35Å; I185-L187 PolarHBondContact O-N 3.33Å; I185-V188 PolarHBondContact O-N 3.32Å; I185-V189 HydrophobicContact CG2-CG2 4.29Å; I185-V189 WeakPolarHBondContact O-CB 3.19Å; I185-V189 VanDerWaalsContact O-CG2 3.27Å; I185-V189 WeakPolarHBondContact O-CG2 3.45Å; I185-V189 PolarHBondContact O-N 2.97Å
186C85.5Confident78.6Confident78 Ų7862.8 Ų62.853%0.52735%0.347SS..Hα-helixtrans-59.2-43.4175.9-73.70000112.3I182 S183 Q184 V189 W190I182-C186 WeakPolarHBondContact O-CB 3.04Å; I182-C186 PolarHBondContact O-N 2.94Å; I182-C186 PolarHBondContact O-SG 3.5Å; I182-C186 VanDerWaalsContact O-SG 3.34Å; S183-C186 PolarHBondContact O-N 3.47Å; Q184-C186 PolarHBondContact O-N 2.85Å; C186-V189 PolarHBondContact O-N 3Å; C186-W190 WeakPolarHBondContact O-CB 3.37Å; C186-W190 PolarHBondContact O-N 3.3Å
187L80.7Confident77.9Confident32 Ų3265.5 Ų65.517%0.16837%0.372CS..Hα-helixtrans-63.4-44175.6-78.9158000111.8F153 Y157 S160 S183 Q184 I185 W190 Q191F153-L187 WeakPolarHBondContact CZ-O 3.16Å; Y157-L187 HydrophobicContact CD2-CB 4.37Å; S160-L187 WeakPolarHBondContact OG-CD1 3.28Å; S183-L187 WeakPolarHBondContact O-CG 3.14Å; S183-L187 PolarHBondContact O-N 2.8Å; Q184-L187 PolarHBondContact O-N 3.45Å; I185-L187 VanDerWaalsContact C-N 3.35Å; I185-L187 PolarHBondContact O-N 3.33Å; L187-W190 WeakPolarHBondContact O-CB 3.34Å; L187-W190 PolarHBondContact O-N 2.95Å; L187-Q191 PolarHBondContact O-N 3.45Å
188V79Confident77.1Confident56 Ų5667.7 Ų67.734%0.33939%0.394SS..Hα-helixtrans-63.3-44.1177.2171.10000110.7Y157 Q184 I185 Q191 I192Y157-V188 HydrophobicContact CD2-CG2 4.18Å; Y157-V188 HydrophobicContact CE2-CG2 3.47Å; Y157-V188 VanDerWaalsContact CE2-CG2 3.47Å; Q184-V188 WeakPolarHBondContact O-CG2 3.35Å; Q184-V188 PolarHBondContact O-N 3.36Å; I185-V188 PolarHBondContact O-N 3.32Å; V188-Q191 WeakPolarHBondContact O-CB 3.46Å; V188-Q191 PolarHBondContact O-N 3.39Å; V188-Q191 VanDerWaalsContact O-N 3.16Å; V188-I192 HydrophobicContact CG1-CD1 3.88Å; V188-I192 HydrophobicContact CG1-CG1 4.5Å; V188-I192 VanDerWaalsContact O-CG1 3.26Å; V188-I192 WeakPolarHBondContact O-CG1 3.39Å; V188-I192 PolarHBondContact O-N 3.12Å
189V82.2Confident76.2Confident72 Ų7267.5 Ų67.544%0.43640%0.395SS..Hα-helixtrans-62-44.9175.7170.20000110.6I185 C186 Q191 I192 I193I185-V189 HydrophobicContact CG2-CG2 4.29Å; I185-V189 WeakPolarHBondContact O-CB 3.19Å; I185-V189 VanDerWaalsContact O-CG2 3.27Å; I185-V189 WeakPolarHBondContact O-CG2 3.45Å; I185-V189 PolarHBondContact O-N 2.97Å; C186-V189 PolarHBondContact O-N 3Å; V189-Q191 VanDerWaalsContact C-N 3.28Å; V189-Q191 PolarHBondContact O-N 3.28Å; V189-I192 PolarHBondContact O-N 3.19Å; V189-I193 HydrophobicContact CG1-CD1 3.81Å; V189-I193 HydrophobicContact CG1-CG1 4.49Å; V189-I193 VanDerWaalsContact O-CG1 3.24Å; V189-I193 WeakPolarHBondContact O-CG1 2.9Å; V189-I193 PolarHBondContact O-N 2.86Å
190W81.7Confident75.1Confident172 Ų17273.3 Ų73.365%0.65241%0.41SS*.Hα-helixtrans-59.1-41.4173.9-175-86.3000111.5F153 C186 L187 I192 I193 A194F153-W190 AromaticContact CE2-CD1 3.84Å; C186-W190 WeakPolarHBondContact O-CB 3.37Å; C186-W190 PolarHBondContact O-N 3.3Å; L187-W190 WeakPolarHBondContact O-CB 3.34Å; L187-W190 PolarHBondContact O-N 2.95Å; W190-I192 PolarHBondContact O-N 3.18Å; W190-I193 PolarHBondContact O-N 3.24Å; W190-A194 WeakPolarHBondContact O-CB 2.96Å; W190-A194 PolarHBondContact O-N 3.18Å
191Q73.3Confident74.6Confident51 Ų5179 Ų7924%0.23844%0.437CS..Hα-helixtrans-61.6-47.5176.5-168464.500111.5F153 L187 V188 V189 I193 A194 T195F153-Q191 HydrophobicContact CD1-CB 4.28Å; F153-Q191 HydrophobicContact CD1-CG 3.75Å; F153-Q191 HydrophobicContact CE1-CB 3.36Å; F153-Q191 HydrophobicContact CE1-CG 3.2Å; F153-Q191 HydrophobicContact CE2-CB 3.98Å; F153-Q191 HydrophobicContact CE2-CG 4.43Å; F153-Q191 HydrophobicContact CZ-CB 3.21Å; F153-Q191 HydrophobicContact CZ-CG 3.65Å; F153-Q191 VanDerWaalsContact CZ-OE1 3.24Å; L187-Q191 PolarHBondContact O-N 3.45Å; V188-Q191 WeakPolarHBondContact O-CB 3.46Å; V188-Q191 PolarHBondContact O-N 3.39Å; V188-Q191 VanDerWaalsContact O-N 3.16Å; V189-Q191 VanDerWaalsContact C-N 3.28Å; V189-Q191 PolarHBondContact O-N 3.28Å; Q191-I193 VanDerWaalsContact C-N 3.26Å; Q191-I193 PolarHBondContact O-N 3.28Å; Q191-A194 CarbonylContact O-C 3.59Å; Q191-A194 PolarHBondContact O-N 3.11Å; Q191-A194 VanDerWaalsContact O-N 3.13Å; Q191-T195 HydrophobicContact CG-CG2 3.9Å; Q191-T195 WeakPolarHBondContact O-CB 3.15Å; Q191-T195 VanDerWaalsContact O-CG2 3.24Å; Q191-T195 WeakPolarHBondContact O-CG2 3.26Å; Q191-T195 PolarHBondContact O-N 3.05Å; Q191-T195 PolarHBondContact O-OG1 3.48Å
192I76.2Confident74.1Confident87 Ų8779.1 Ų79.145%0.44645%0.445SS..Hα-helixtrans-58.5-45.2178.9-67.5162.8000108.8V188 V189 W190 A194 T195 V196V188-I192 HydrophobicContact CG1-CD1 3.88Å; V188-I192 HydrophobicContact CG1-CG1 4.5Å; V188-I192 VanDerWaalsContact O-CG1 3.26Å; V188-I192 WeakPolarHBondContact O-CG1 3.39Å; V188-I192 PolarHBondContact O-N 3.12Å; V189-I192 PolarHBondContact O-N 3.19Å; W190-I192 PolarHBondContact O-N 3.18Å; I192-A194 VanDerWaalsContact C-N 3.34Å; I192-A194 PolarHBondContact O-N 2.95Å; I192-T195 WeakPolarHBondContact CA-OG1 3.37Å; I192-T195 PolarHBondContact O-N 3.36Å; I192-T195 PolarHBondContact O-OG1 3.27Å; I192-V196 HydrophobicContact CG2-CG2 4.26Å; I192-V196 WeakPolarHBondContact O-CG2 3.34Å; I192-V196 PolarHBondContact O-N 3.44Å; I192-V196 VanDerWaalsContact O-N 3.08Å
193I76.8Confident73.5Confident95 Ų9579.4 Ų79.449%0.48745%0.447SS..Hα-helixtrans-60.3-43.7176.7-66.5163.8000111.3V189 W190 Q191V189-I193 HydrophobicContact CG1-CD1 3.81Å; V189-I193 HydrophobicContact CG1-CG1 4.49Å; V189-I193 VanDerWaalsContact O-CG1 3.24Å; V189-I193 WeakPolarHBondContact O-CG1 2.9Å; V189-I193 PolarHBondContact O-N 2.86Å; W190-I193 PolarHBondContact O-N 3.24Å; Q191-I193 VanDerWaalsContact C-N 3.26Å; Q191-I193 PolarHBondContact O-N 3.28Å
194A75.9Confident73Confident67 Ų6784 Ų8455%0.55446%0.46SS*.Hα-helixtrans-71.8-29.3179.800000113.2W190 Q191 I192W190-A194 WeakPolarHBondContact O-CB 2.96Å; W190-A194 PolarHBondContact O-N 3.18Å; Q191-A194 CarbonylContact O-C 3.59Å; Q191-A194 PolarHBondContact O-N 3.11Å; Q191-A194 VanDerWaalsContact O-N 3.13Å; I192-A194 VanDerWaalsContact C-N 3.34Å; I192-A194 PolarHBondContact O-N 2.95Å
195T67.8Low72.6Confident77 Ų7788 Ų8847%0.47248%0.484SS..Hα-helixtrans-91.8-3.2-179.159.50000113.9Q191 I192 P197Q191-T195 HydrophobicContact CG-CG2 3.9Å; Q191-T195 WeakPolarHBondContact O-CB 3.15Å; Q191-T195 VanDerWaalsContact O-CG2 3.24Å; Q191-T195 WeakPolarHBondContact O-CG2 3.26Å; Q191-T195 PolarHBondContact O-N 3.05Å; Q191-T195 PolarHBondContact O-OG1 3.48Å; I192-T195 WeakPolarHBondContact CA-OG1 3.37Å; I192-T195 PolarHBondContact O-N 3.36Å; I192-T195 PolarHBondContact O-OG1 3.27Å; T195-P197 WeakPolarHBondContact O-CD 3.31Å
196V67.3Low72.2Confident53 Ų5389.6 Ų89.632%0.32149%0.493SS..  trans-85.299172.8-171.20000109.8I192 G198 G199I192-V196 HydrophobicContact CG2-CG2 4.26Å; I192-V196 WeakPolarHBondContact O-CG2 3.34Å; I192-V196 PolarHBondContact O-N 3.44Å; I192-V196 VanDerWaalsContact O-N 3.08Å; V196-G198 PolarHBondContact O-N 2.95Å; V196-G199 VanDerWaalsContact CG1-CA 3.4Å; V196-G199 PolarHBondContact O-N 3Å; V196-G199 VanDerWaalsContact O-N 3.11Å
197P59.3Low71.8Confident131 Ų13190.8 Ų90.885%0.85149%0.494SS*.THydrogen-bonded Turntrans-64.2103.416129.8-34.6000107.2T195T195-P197 WeakPolarHBondContact O-CD 3.31Å
198G58Low71.6Confident45 Ų4597.2 Ų97.246%0.46452%0.516SS..THydrogen-bonded Turntrans103.723.2-172.500000115.6V196 R200 I201 G202V196-G198 PolarHBondContact O-N 2.95Å; G198-R200 PolarHBondContact O-N 3.3Å; G198-I201 PolarHBondContact O-N 3.46Å; G198-G202 PolarHBondContact O-N 3.4Å
199G62.2Low71.6Confident24 Ų2496.2 Ų96.225%0.24752%0.517CS..Hα-helixtrans-37.3-35.7-175.700000117.6V196 L203V196-G199 VanDerWaalsContact CG1-CA 3.4Å; V196-G199 PolarHBondContact O-N 3Å; V196-G199 VanDerWaalsContact O-N 3.11Å; G199-L203 WeakPolarHBondContact O-CB 3.25Å; G199-L203 PolarHBondContact O-N 2.73Å
200R59.1Low71.2Confident222 Ų22295.6 Ų95.684%0.83852%0.516SS*.Hα-helixtrans-75.4-31.1180-58.3-175.1-175.6-151.80.9113.5G198 K204G198-R200 PolarHBondContact O-N 3.3Å; R200-K204 WeakPolarHBondContact O-CB 3.24Å; R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.33Å
201I68Low70.9Confident132 Ų13291.6 Ų91.668%0.67751%0.506SS*.Hα-helixtrans-83.8-43.7179.9-63.7164.6000110G198 K204 T205G198-I201 PolarHBondContact O-N 3.46Å; I201-K204 PolarHBondContact O-N 2.95Å; I201-T205 WeakPolarHBondContact O-CB 3.19Å; I201-T205 PolarHBondContact O-N 2.82Å; I201-T205 PolarHBondContact O-OG1 3.42Å
202G69.9Low70.8Confident28 Ų2898.3 Ų98.329%0.28953%0.53SS..Hα-helixtrans-62-48.9175.800000111.9G198 K204 T205 L206G198-G202 PolarHBondContact O-N 3.4Å; G202-K204 PolarHBondContact O-N 3.39Å; G202-T205 PolarHBondContact O-N 3.36Å; G202-T205 VanDerWaalsContact O-N 3.09Å; G202-L206 WeakPolarHBondContact O-CG 3.3Å; G202-L206 PolarHBondContact O-N 3.25Å
203L70.3Confident70.8Confident101 Ų10198.4 Ų98.453%0.52953%0.534SS..Hα-helixtrans-64.2-39.3179.6-160.375.5000111.7G199 T205 L206 L207G199-L203 WeakPolarHBondContact O-CB 3.25Å; G199-L203 PolarHBondContact O-N 2.73Å; L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 2.93Å; L203-L206 PolarHBondContact O-N 2.95Å; L203-L207 WeakPolarHBondContact O-CB 3.23Å; L203-L207 PolarHBondContact O-N 3.21Å
204K72.9Confident70.6Confident151 Ų15197.8 Ų97.866%0.65754%0.535SS*.Hα-helixtrans-64-35.1173.4-80-178.8180-172.20112.6R200 I201 G202 R208R200-K204 WeakPolarHBondContact O-CB 3.24Å; R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.33Å; I201-K204 PolarHBondContact O-N 2.95Å; G202-K204 PolarHBondContact O-N 3.39Å; K204-R208 WeakPolarHBondContact O-CB 3.49Å; K204-R208 PolarHBondContact O-N 3.01Å
205T74.4Confident70.1Confident85 Ų85101.2 Ų101.252%0.52154%0.537SS..Hα-helixtrans-71.7-41.7178-56.20000111.2I201 G202 L203 R208 G209I201-T205 WeakPolarHBondContact O-CB 3.19Å; I201-T205 PolarHBondContact O-N 2.82Å; I201-T205 PolarHBondContact O-OG1 3.42Å; G202-T205 PolarHBondContact O-N 3.36Å; G202-T205 VanDerWaalsContact O-N 3.09Å; L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 2.93Å; T205-R208 PolarHBondContact O-N 3.16Å; T205-G209 PolarHBondContact O-N 3.14Å
206L75Confident70.2Confident122 Ų12299.7 Ų99.764%0.63954%0.537SS*.Hα-helixtrans-67.1-42.1174.4-67.2-176.5000112.4G202 L203 R208 G209 S210G202-L206 WeakPolarHBondContact O-CG 3.3Å; G202-L206 PolarHBondContact O-N 3.25Å; L203-L206 PolarHBondContact O-N 2.95Å; L206-R208 VanDerWaalsContact C-N 3.32Å; L206-R208 PolarHBondContact O-N 3.33Å; L206-G209 PolarHBondContact O-N 3.24Å; L206-S210 WeakPolarHBondContact O-CB 3.48Å; L206-S210 PolarHBondContact O-N 3.18Å; L206-S210 PolarHBondContact O-OG 2.77Å
207L77.6Confident70Confident104 Ų104101.9 Ų101.955%0.54555%0.546SS..Hα-helixtrans-64.6-39.7175.9-136.281.4000111.1L203 S210 L211L203-L207 WeakPolarHBondContact O-CB 3.23Å; L203-L207 PolarHBondContact O-N 3.21Å; L207-S210 PolarHBondContact O-OG 3.44Å; L207-S210 VanDerWaalsContact O-OG 3.1Å; L207-L211 VanDerWaalsContact O-CB 3.26Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 WeakPolarHBondContact O-CD1 3.08Å; L207-L211 WeakPolarHBondContact O-CG 3.31Å; L207-L211 PolarHBondContact O-N 2.82Å
208R77.1Confident70Confident166 Ų16699.4 Ų99.463%0.62653%0.532SS*.Hα-helixtrans-64.4-46.1174.8-167.5-176.6-71.6163.7-5.1109.9K204 T205 L206 L211 W212K204-R208 WeakPolarHBondContact O-CB 3.49Å; K204-R208 PolarHBondContact O-N 3.01Å; T205-R208 PolarHBondContact O-N 3.16Å; L206-R208 VanDerWaalsContact C-N 3.32Å; L206-R208 PolarHBondContact O-N 3.33Å; R208-L211 PolarHBondContact O-N 3Å; R208-W212 PolarHBondContact O-N 3.46Å
209G79.3Confident70Confident35 Ų35106.5 Ų106.536%0.36155%0.55SS..Hα-helixtrans-59.4-46.7176.700000113.4T205 L206 L211 W212 T213T205-G209 PolarHBondContact O-N 3.14Å; L206-G209 PolarHBondContact O-N 3.24Å; G209-L211 PolarHBondContact O-N 3.29Å; G209-W212 WeakPolarHBondContact O-CB 3.39Å; G209-W212 PolarHBondContact O-N 3.35Å; G209-T213 PolarHBondContact O-N 3.36Å; G209-T213 PolarHBondContact O-OG1 3.3Å
210S73.9Confident70.2Confident59 Ų59109.3 Ų109.341%0.41357%0.566SS.*Hα-helixtrans-66.3-37.6177.267.80000112.1L206 L207 W212 T213 V214L206-S210 WeakPolarHBondContact O-CB 3.48Å; L206-S210 PolarHBondContact O-N 3.18Å; L206-S210 PolarHBondContact O-OG 2.77Å; L207-S210 PolarHBondContact O-OG 3.44Å; L207-S210 VanDerWaalsContact O-OG 3.1Å; S210-W212 VanDerWaalsContact C-N 3.32Å; S210-W212 PolarHBondContact O-N 3.1Å; S210-T213 PolarHBondContact O-N 3.49Å; S210-V214 WeakPolarHBondContact O-CG2 3.43Å; S210-V214 PolarHBondContact O-N 3.47Å
211L75.1Confident70.2Confident88 Ų88104.7 Ų104.746%0.46156%0.557SS.*Hα-helixtrans-66-32.3173.2-73.1168.5000112.4L207 R208 G209 K215L207-L211 VanDerWaalsContact O-CB 3.26Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 WeakPolarHBondContact O-CD1 3.08Å; L207-L211 WeakPolarHBondContact O-CG 3.31Å; L207-L211 PolarHBondContact O-N 2.82Å; R208-L211 PolarHBondContact O-N 3Å; G209-L211 PolarHBondContact O-N 3.29Å; L211-K215 WeakPolarHBondContact O-CB 3.31Å; L211-K215 VanDerWaalsContact O-CG 3.25Å; L211-K215 WeakPolarHBondContact O-CG 3.36Å; L211-K215 PolarHBondContact O-N 3.04Å
212W71.2Confident70.2Confident192 Ų192104.1 Ų104.173%0.72756%0.562SS**Hα-helixtrans-67.1-40.8171.3-79.1107.2000111.7R208 G209 S210 G216R208-W212 PolarHBondContact O-N 3.46Å; G209-W212 WeakPolarHBondContact O-CB 3.39Å; G209-W212 PolarHBondContact O-N 3.35Å; S210-W212 VanDerWaalsContact C-N 3.32Å; S210-W212 PolarHBondContact O-N 3.1Å; W212-G216 WeakPolarHBondContact O-CA 3.22Å; W212-G216 PolarHBondContact O-N 3.48Å
213T76.1Confident69.6Low89 Ų89113 Ų11355%0.54661%0.61SS.*Hα-helixtrans-63.4-47.9174.9-55.50000111.1G209 S210 G216 I217G209-T213 PolarHBondContact O-N 3.36Å; G209-T213 PolarHBondContact O-OG1 3.3Å; S210-T213 PolarHBondContact O-N 3.49Å; T213-G216 PolarHBondContact O-N 2.94Å; T213-I217 HydrophobicContact CG2-CD1 3.88Å; T213-I217 VanDerWaalsContact O-CD1 3.26Å; T213-I217 WeakPolarHBondContact O-CD1 3.48Å; T213-I217 WeakPolarHBondContact O-CG1 3.5Å; T213-I217 PolarHBondContact O-N 3.01Å
214V71.1Confident69.6Low83 Ų83113.6 Ų113.650%0.50361%0.614SS.*Hα-helixtrans-66.7-42.9179.81760000111.6S210 G216 I217 S218S210-V214 WeakPolarHBondContact O-CG2 3.43Å; S210-V214 PolarHBondContact O-N 3.47Å; V214-G216 VanDerWaalsContact C-N 3.32Å; V214-G216 PolarHBondContact O-N 3.36Å; V214-I217 PolarHBondContact O-N 3.42Å; V214-S218 PolarHBondContact O-N 3.28Å; V214-S218 PolarHBondContact O-OG 3.23Å
215K65.7Low69.4Low138 Ų138111.6 Ų111.660%0.661%0.612SS**Hα-helixtrans-68.6-30.4175.8-74.8-179.3169.6179.60112.7L211 K219L211-K215 WeakPolarHBondContact O-CB 3.31Å; L211-K215 VanDerWaalsContact O-CG 3.25Å; L211-K215 WeakPolarHBondContact O-CG 3.36Å; L211-K215 PolarHBondContact O-N 3.04Å; K215-K219 PolarHBondContact O-N 3.5Å
216G71Confident69.1Low45 Ų45113.1 Ų113.146%0.46462%0.617SS.*Hα-helixtrans-64.4-44.6173.300000111.8W212 T213 V214 K219 S220W212-G216 WeakPolarHBondContact O-CA 3.22Å; W212-G216 PolarHBondContact O-N 3.48Å; T213-G216 PolarHBondContact O-N 2.94Å; V214-G216 VanDerWaalsContact C-N 3.32Å; V214-G216 PolarHBondContact O-N 3.36Å; G216-K219 PolarHBondContact O-N 3.46Å; G216-S220 PolarHBondContact O-N 3.3Å
217I62.8Low68.8Low99 Ų99112.6 Ų112.651%0.50862%0.616SS.*Hα-helixtrans-69.9-34.3178.4-59156000111.2T213 V214 K219 S220 L221T213-I217 HydrophobicContact CG2-CD1 3.88Å; T213-I217 VanDerWaalsContact O-CD1 3.26Å; T213-I217 WeakPolarHBondContact O-CD1 3.48Å; T213-I217 WeakPolarHBondContact O-CG1 3.5Å; T213-I217 PolarHBondContact O-N 3.01Å; V214-I217 PolarHBondContact O-N 3.42Å; I217-K219 PolarHBondContact O-N 3.37Å; I217-S220 PolarHBondContact O-N 3.26Å; I217-S220 PolarHBondContact O-OG 3.41Å; I217-L221 WeakPolarHBondContact O-CD1 3.41Å
218S59.9Low68.2Low80 Ų80113.1 Ų113.156%0.55962%0.62SS**Hα-helixtrans-68.2-25.1177.2-48.90000112.7V214V214-S218 PolarHBondContact O-N 3.28Å; V214-S218 PolarHBondContact O-OG 3.23Å
219K58.4Low67.7Low193 Ų193109.6 Ų109.684%0.83962%0.62SS**THydrogen-bonded Turntrans-87.7-9.5177.8-75.8-170.6175.5-163.40113.9K215 G216 I217K215-K219 PolarHBondContact O-N 3.5Å; G216-K219 PolarHBondContact O-N 3.46Å; I217-K219 PolarHBondContact O-N 3.37Å
220S66.3Low66.8Low83 Ų83114.9 Ų114.958%0.5864%0.638SS**SBendtrans-965.1177.172.80000113.9G216 I217 P222G216-S220 PolarHBondContact O-N 3.3Å; I217-S220 PolarHBondContact O-N 3.26Å; I217-S220 PolarHBondContact O-OG 3.41Å; S220-P222 WeakPolarHBondContact O-CD 3.15Å
221L58.4Low66.3Low125 Ų125119.2 Ų119.265%0.65466%0.656SS**  trans-93.6102.3164.6-82.293.6000108.9I217 V223I217-L221 WeakPolarHBondContact O-CD1 3.41Å; L221-V223 PolarHBondContact O-N 3.37Å
222P67Low65.5Low120 Ų120121.8 Ų121.878%0.77967%0.672SS**  trans-63.9125.7154.828.4-30.8000107.8S220S220-P222 WeakPolarHBondContact O-CD 3.15Å
223V58.7Low65Low215 Ų215115.5 Ų115.5100%1.30367%0.667SS**  trans-71.50155.4-66.50000109.6L221L221-V223 PolarHBondContact O-N 3.37Å

Retrieved 223 of 223 residues in 75.5 ms (Link to these results)