A0A3Q0KGS9_SCHMA Loading...

Putative dynactin subunit AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KGS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 396 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.6Very low66.2Low233 Ų233119.7 Ų119.7100%1.14865%0.652SS**  0130.80-91.1166.1173.500108.1L3M1-L3 PolarHBondContact O-N 3.14Å
2S60.4Low66.3Low125 Ų125131.2 Ų131.287%0.87468%0.679SS**PPolyproline II helixtrans-67.5116.9165.9-177.60000106.9
3L60.7Low66.5Low103 Ų103125.6 Ų125.654%0.53965%0.65SS.*PPolyproline II helixtrans-63.3146.9173.4-79.4100.1000109.5M1 I13M1-L3 PolarHBondContact O-N 3.14Å; L3-I13 HydrophobicContact CD2-CG2 4.29Å
4D66.6Low66.6Low82 Ų82121.1 Ų121.144%0.43964%0.641SS.*PPolyproline II helixtrans-61.3130.1176.5-136.92.9000108.5K6 Y7D4-K6 PolarHBondContact O-N 3.03Å; D4-K6 IonicContact OD2-NZ 3.68Å; D4-Y7 HydrophobicContact CB-CD2 3.69Å; D4-Y7 HydrophobicContact CB-CE2 3.94Å; D4-Y7 PolarHBondContact O-N 2.77Å
5P71.3Confident66.9Low103 Ų103121.2 Ų121.267%0.66964%0.636SS**G310 helixtrans-60.1-17.4-173.719.2-30.5000113.9Y7 A8P5-Y7 PolarHBondContact O-N 2.91Å; P5-A8 PolarHBondContact O-N 3.32Å
6K70.8Confident67.2Low157 Ų157118.9 Ų118.968%0.68365%0.651SS**G310 helixtrans-65.5-23.9174.1-76.1175.1-79.1171.90113.8D4D4-K6 PolarHBondContact O-N 3.03Å; D4-K6 IonicContact OD2-NZ 3.68Å
7Y68Low67.5Low117 Ų117120.2 Ų120.246%0.45965%0.651SS.*G310 helixtrans-107.34-177.3-52.6-68.9000112.8D4 P5 D9 L10D4-Y7 HydrophobicContact CB-CD2 3.69Å; D4-Y7 HydrophobicContact CB-CE2 3.94Å; D4-Y7 PolarHBondContact O-N 2.77Å; P5-Y7 PolarHBondContact O-N 2.91Å; Y7-D9 VanDerWaalsContact C-N 3.29Å; Y7-D9 PolarHBondContact O-N 3.01Å; Y7-L10 HydrophobicContact CD1-CD1 3.75Å
8A66.8Low67.8Low40 Ų40119.7 Ų119.733%0.33166%0.655SS.*THydrogen-bonded Turntrans-63.7-31.3-174.100000113.4P5 H15P5-A8 PolarHBondContact O-N 3.32Å; A8-H15 PolarHBondContact O-CE1 3.24Å; A8-H15 PolarHBondContact O-NE2 3.19Å
9D69.5Low68.1Low158 Ų158119.8 Ų119.885%0.84566%0.655SS**THydrogen-bonded Turntrans-111.918.6-172-61.2-40.4000113.8Y7 P11Y7-D9 VanDerWaalsContact C-N 3.29Å; Y7-D9 PolarHBondContact O-N 3.01Å; D9-P11 WeakPolarHBondContact O-CD 3.13Å
10L71.4Confident68.4Low84 Ų84119.6 Ų119.644%0.4466%0.657SS.*  trans-76.8126178.9-76.4171.1000110.8Y7 W12 I13Y7-L10 HydrophobicContact CD1-CD1 3.75Å; L10-W12 PolarHBondContact O-N 3.17Å; L10-I13 HydrophobicContact CB-CD1 3.67Å; L10-I13 HydrophobicContact CB-CG1 4.02Å; L10-I13 HydrophobicContact CD1-CD1 3.78Å; L10-I13 HydrophobicContact CG-CD1 4.33Å; L10-I13 PolarHBondContact O-N 2.85Å
11P73.3Confident68.6Low115 Ų115123.2 Ų123.275%0.74766%0.662SS**THydrogen-bonded Turntrans-56.7136.7167.1-13.926.9000107.9D9D9-P11 WeakPolarHBondContact O-CD 3.13Å
12W66.7Low69.6Low257 Ų257120.3 Ų120.397%0.97365%0.646SS**THydrogen-bonded Turntrans88.6-4.5-176.3-85.586.8000119.2L10 A14L10-W12 PolarHBondContact O-N 3.17Å; W12-A14 PolarHBondContact O-N 3.18Å
13I69.6Low70Confident59 Ų59119.1 Ų119.130%0.30364%0.643SS.*  trans-89.9109.6172.3-58.5-176.7000109L3 L10 H15L3-I13 HydrophobicContact CD2-CG2 4.29Å; L10-I13 HydrophobicContact CB-CD1 3.67Å; L10-I13 HydrophobicContact CB-CG1 4.02Å; L10-I13 HydrophobicContact CD1-CD1 3.78Å; L10-I13 HydrophobicContact CG-CD1 4.33Å; L10-I13 PolarHBondContact O-N 2.85Å; I13-H15 PolarHBondContact O-N 3.5Å
14A67.3Low70.3Confident63 Ų63117.2 Ų117.252%0.52165%0.648SS.*  trans-71.2121.4176.800000110.1W12W12-A14 PolarHBondContact O-N 3.18Å
15H72.1Confident70.3Confident122 Ų122122 Ų12257%0.56567%0.668SS**SBendtrans-87.7129.6177.9-57.5-72.1000111A8 I13 Q17A8-H15 PolarHBondContact O-CE1 3.24Å; A8-H15 PolarHBondContact O-NE2 3.19Å; I13-H15 PolarHBondContact O-N 3.5Å; H15-Q17 VanDerWaalsContact C-N 3.31Å; H15-Q17 PolarHBondContact O-N 2.79Å
16G70.5Confident70Confident85 Ų85122.2 Ų122.288%0.87666%0.663SS**SBendtrans79.44.616700000116
17Q73Confident69.8Low141 Ų141118.7 Ų118.766%0.65966%0.657SS**SBendtrans-92.1133.7165.6-66.9-174.4-3200108.6H15 D19H15-Q17 VanDerWaalsContact C-N 3.31Å; H15-Q17 PolarHBondContact O-N 2.79Å; Q17-D19 PolarHBondContact O-N 3.35Å
18P72Confident69.7Low110 Ų110121.1 Ų121.171%0.71467%0.672SS**  trans-61.3130.8171.624.5-30.5000108.7V20P18-V20 PolarHBondContact O-N 3.34Å
19D74.7Confident69.6Low123 Ų123122.9 Ų122.966%0.65869%0.687SS**  trans-61.6110.5176.7-65.7-35.4000109Q17 Y21Q17-D19 PolarHBondContact O-N 3.35Å; D19-Y21 HydrophobicContact CB-CD2 4.33Å; D19-Y21 HydrophobicContact CB-CE2 3.65Å; D19-Y21 PolarHBondContact O-N 2.9Å
20V73.9Confident69.2Low115 Ų115119.4 Ų119.470%0.69767%0.668SS**  trans-92102175.1-1770000107.3P18 E22P18-V20 PolarHBondContact O-N 3.34Å; V20-E22 HydrophobicContact CG1-CG 4.26Å; V20-E22 PolarHBondContact O-N 3.36Å
21Y71.9Confident68.7Low195 Ų195121.4 Ų121.477%0.76568%0.675SS**  trans-81.7102.4170.9-60.4-85.9000108.5D19 A23D19-Y21 HydrophobicContact CB-CD2 4.33Å; D19-Y21 HydrophobicContact CB-CE2 3.65Å; D19-Y21 PolarHBondContact O-N 2.9Å; Y21-A23 PolarHBondContact O-N 2.85Å
22E71Confident67.8Low173 Ų173120.9 Ų120.981%0.80867%0.67SS**  trans-79.5104.4165.4-66.6-177.7-173.700107.8V20 G24V20-E22 HydrophobicContact CG1-CG 4.26Å; V20-E22 PolarHBondContact O-N 3.36Å; E22-G24 PolarHBondContact O-N 2.79Å
23A68.1Low67.1Low99 Ų99115.5 Ų115.582%0.81866%0.657SS**  trans-67.4102.3161.400000106Y21 E25Y21-A23 PolarHBondContact O-N 2.85Å; A23-E25 PolarHBondContact O-N 3.3Å
24G67Low66.3Low63 Ų63120.3 Ų120.365%0.64968%0.676SS**PPolyproline II helixtrans-48.7135.7179.900000110.2E22 L26E22-G24 PolarHBondContact O-N 2.79Å; G24-L26 PolarHBondContact O-N 2.8Å
25E67.3Low65.6Low182 Ų182126.6 Ų126.685%0.8570%0.695SS**PPolyproline II helixtrans-50.6118.1176.9-70.4-173.6170.400108.5A23A23-E25 PolarHBondContact O-N 3.3Å
26L65.2Low64.6Low109 Ų109125.9 Ų125.957%0.57170%0.699SS**PPolyproline II helixtrans-55.9133.6172.6-74.3167.1000107.2G24 E28 D30 Q31G24-L26 PolarHBondContact O-N 2.8Å; L26-E28 PolarHBondContact O-N 3.15Å; L26-D30 HydrophobicContact CB-CB 4.2Å; L26-Q31 PolarHBondContact O-NE2 3.48Å
27P67.4Low63.7Low83 Ų83126.7 Ų126.754%0.53969%0.687SS.*PPolyproline II helixtrans-47142.8175.4-26.133.6000110.1A29 D30P27-A29 PolarHBondContact O-N 2.74Å; P27-D30 PolarHBondContact O-N 2.81Å
28E65.3Low62.8Low167 Ų167127.6 Ų127.678%0.7869%0.691SS**Hα-helixtrans-49.8-27.2-177-68.8-166.7160.500113.6L26 D30 Q31L26-E28 PolarHBondContact O-N 3.15Å; E28-D30 VanDerWaalsContact C-N 3.27Å; E28-D30 PolarHBondContact O-N 2.89Å; E28-Q31 PolarHBondContact O-N 3.46Å
29A63.8Low61.9Low78 Ų78127.7 Ų127.765%0.64569%0.685SS**Hα-helixtrans-58.2-33.8174.300000113.7P27P27-A29 PolarHBondContact O-N 2.74Å
30D61.1Low61.1Low85 Ų85127.8 Ų127.846%0.45569%0.691SS.*Hα-helixtrans-94.5-15.5-176.2-63.7-28.1000112.7L26 P27 E28 T32 M33L26-D30 HydrophobicContact CB-CB 4.2Å; P27-D30 PolarHBondContact O-N 2.81Å; E28-D30 VanDerWaalsContact C-N 3.27Å; E28-D30 PolarHBondContact O-N 2.89Å; D30-T32 VanDerWaalsContact C-N 3.26Å; D30-T32 PolarHBondContact O-N 2.89Å; D30-M33 WeakPolarHBondContact O-CG 3.46Å; D30-M33 PolarHBondContact O-N 3.32Å
31Q61.4Low60.3Low126 Ų126130.8 Ų130.859%0.58970%0.699SS**Hα-helixtrans-71.8-25.3176.4-62.3-175.116.900112.3L26 E28L26-Q31 PolarHBondContact O-NE2 3.48Å; E28-Q31 PolarHBondContact O-N 3.46Å
32T54.9Low59.6Low103 Ų103123.8 Ų123.863%0.63268%0.679SS**THydrogen-bonded Turntrans-103.748.4175.562.30000110.9D30 K34D30-T32 VanDerWaalsContact C-N 3.26Å; D30-T32 PolarHBondContact O-N 2.89Å; T32-K34 PolarHBondContact O-N 3.4Å
33M51.8Low59.1Low144 Ų144118.3 Ų118.371%0.70966%0.663SS**  trans-6383.1152.9-66.8-157.99400107.2D30 E35D30-M33 WeakPolarHBondContact O-CG 3.46Å; D30-M33 PolarHBondContact O-N 3.32Å; M33-E35 PolarHBondContact O-N 3.11Å; M33-E35 VanDerWaalsContact O-N 3.09Å
34K52.5Low59.1Low160 Ų160123.8 Ų123.870%0.69666%0.663SS**  trans-51122.2161.8-76.8175.5175.6172.10104.7T32 T36T32-K34 PolarHBondContact O-N 3.4Å; K34-T36 HydrophobicContact CB-CG2 4.32Å; K34-T36 WeakPolarHBondContact CB-OG1 3.3Å; K34-T36 PolarHBondContact O-N 3.33Å
35E53.1Low59.5Low195 Ų195129.8 Ų129.891%0.91167%0.674SS**SBendtrans-62.834.8167.5-65176153.400111.7M33 V37M33-E35 PolarHBondContact O-N 3.11Å; M33-E35 VanDerWaalsContact O-N 3.09Å; E35-V37 VanDerWaalsContact C-N 3.29Å
36T50.8Low59.9Low107 Ų107126.3 Ų126.366%0.65666%0.66SS**  trans-95.717.416554.60000110.6K34 E38K34-T36 HydrophobicContact CB-CG2 4.32Å; K34-T36 WeakPolarHBondContact CB-OG1 3.3Å; K34-T36 PolarHBondContact O-N 3.33Å; T36-E38 PolarHBondContact O-N 2.84Å
37V51.6Low60.2Low103 Ų103129.2 Ų129.262%0.62467%0.67SS**SBendtrans-69.595.4152-171.20000103.8E35 D39E35-V37 VanDerWaalsContact C-N 3.29Å; V37-D39 PolarHBondContact O-N 3.49Å
38E53.8Low60.4Low160 Ų160129.9 Ų129.975%0.74867%0.673SS**  trans-45.4111.8167.9-66.3-174148.500106.6T36 T40T36-E38 PolarHBondContact O-N 2.84Å; E38-T40 HydrophobicContact CB-CG2 4.39Å; E38-T40 WeakPolarHBondContact O-CG2 3.38Å; E38-T40 PolarHBondContact O-N 3.41Å; E38-T40 PolarHBondContact O-OG1 3.48Å
39D52.8Low60.9Low111 Ų111126 Ų12659%0.59466%0.661SS**  trans-73.468.9-167.7-155.15000108.8V37 M41 S42V37-D39 PolarHBondContact O-N 3.49Å; D39-M41 PolarHBondContact O-N 3.11Å; D39-M41 VanDerWaalsContact O-N 3.08Å; D39-S42 PolarHBondContact O-N 2.89Å; D39-S42 PolarHBondContact O-OG 2.88Å
40T57.5Low61.6Low125 Ų125131.9 Ų131.977%0.76767%0.671SS**THydrogen-bonded Turntrans-69.3-1.3-174.346.10000112.4E38E38-T40 HydrophobicContact CB-CG2 4.39Å; E38-T40 WeakPolarHBondContact O-CG2 3.38Å; E38-T40 PolarHBondContact O-N 3.41Å; E38-T40 PolarHBondContact O-OG1 3.48Å
41M57.8Low62.2Low179 Ų179134.9 Ų134.988%0.88269%0.687SS**THydrogen-bonded Turntrans-112.53.3177.7-66.7-133.2173.200114.2D39 A43D39-M41 PolarHBondContact O-N 3.11Å; D39-M41 VanDerWaalsContact O-N 3.08Å; M41-A43 PolarHBondContact O-N 3.44Å
42S57.7Low63.2Low48 Ų48131.3 Ų131.334%0.33668%0.676SS.*SBendtrans-69.1125.6167.858.10000109.7D39D39-S42 PolarHBondContact O-N 2.89Å; D39-S42 PolarHBondContact O-OG 2.88Å
43A60.1Low64.7Low58 Ų58132.2 Ų132.248%0.47968%0.681SS.*  trans-57.9142.6177.800000109.9M41 E45 I46M41-A43 PolarHBondContact O-N 3.44Å; A43-E45 PolarHBondContact O-N 2.7Å; A43-I46 PolarHBondContact O-N 2.84Å
44R67.4Low66.3Low214 Ų214129.2 Ų129.281%0.80867%0.674SS**THydrogen-bonded Turntrans-54.9-16.8-178.7-75.5-177.7177.6179.4-0.8114.7I46R44-I46 VanDerWaalsContact C-N 3.34Å
45E76.4Confident67.7Low189 Ų189127.9 Ų127.988%0.88367%0.67SS**THydrogen-bonded Turntrans-75.1-17.8174.6-120.199.1-161.700114A43A43-E45 PolarHBondContact O-N 2.7Å
46I74.7Confident69Low108 Ų108120.6 Ų120.655%0.55464%0.643SS**  trans-97.4103.1-174.6-55.2176.1000109A43 R44 V48A43-I46 PolarHBondContact O-N 2.84Å; R44-I46 VanDerWaalsContact C-N 3.34Å; I46-V48 HydrophobicContact CG2-CG2 4.13Å; I46-V48 PolarHBondContact O-N 3.45Å
47E72.9Confident70.6Confident170 Ų170122 Ų12279%0.79464%0.642SS**  trans-75.8105.9169.2-171.1-179.3174.800109.6V49E47-V49 HydrophobicContact CG-CG2 4.13Å; E47-V49 PolarHBondContact O-N 3.15Å
48V71.8Confident72.1Confident98 Ų98125.4 Ų125.459%0.59465%0.649SS**  trans-84.692.4174.3-173.40000108.8I46 K50I46-V48 HydrophobicContact CG2-CG2 4.13Å; I46-V48 PolarHBondContact O-N 3.45Å; V48-K50 PolarHBondContact O-N 3Å
49V75.6Confident73.3Confident86 Ų86127 Ų12752%0.52165%0.648SS.*  trans-72.1119.8174.2-175.70000108.9E47 L51E47-V49 HydrophobicContact CG-CG2 4.13Å; E47-V49 PolarHBondContact O-N 3.15Å; V49-L51 HydrophobicContact CG1-CD2 4.12Å; V49-L51 HydrophobicContact CG1-CG 4.45Å; V49-L51 PolarHBondContact O-N 3.42Å; V49-L51 VanDerWaalsContact O-N 3.08Å
50K77.4Confident74.6Confident200 Ų200126.8 Ų126.887%0.8764%0.642SS**  trans-72.7102.4173.7-72.9-175.7178.9-179.80109.6V48V48-K50 PolarHBondContact O-N 3Å
51L74.7Confident75.6Confident148 Ų148124.3 Ų124.378%0.77563%0.634SS**  trans-92.4113.2176.4-57.5159.4000108.3V49 V53V49-L51 HydrophobicContact CG1-CD2 4.12Å; V49-L51 HydrophobicContact CG1-CG 4.45Å; V49-L51 PolarHBondContact O-N 3.42Å; V49-L51 VanDerWaalsContact O-N 3.08Å; L51-V53 PolarHBondContact O-N 2.85Å
52S82.2Confident76.4Confident51 Ų51119 Ų11936%0.35763%0.625SS.*  trans-76.6118.3171.9173.60000109.7S54 E55 A56S52-S54 PolarHBondContact O-N 3.31Å; S52-E55 PolarHBondContact O-N 3.1Å; S52-A56 PolarHBondContact O-N 3.15Å
53V85.7Confident77.3Confident123 Ų123118.4 Ų118.475%0.74562%0.621SS**Hα-helixtrans-55.3-36.7177.2-179.70000111.1L51 H57L51-V53 PolarHBondContact O-N 2.85Å; V53-H57 WeakPolarHBondContact O-CB 3.46Å; V53-H57 PolarHBondContact O-N 2.94Å
54S85Confident77.9Confident80 Ų80123.1 Ų123.156%0.55963%0.63SS**Hα-helixtrans-68.9-36.1178.1-58.10000113.1S52 K58S52-S54 PolarHBondContact O-N 3.31Å; S54-K58 VanDerWaalsContact O-CG 3.28Å; S54-K58 WeakPolarHBondContact O-CG 3.26Å; S54-K58 PolarHBondContact O-N 3.25Å; S54-K58 VanDerWaalsContact O-N 3.09Å
55E82.5Confident77.9Confident132 Ų132117 Ų11762%0.61762%0.617SS**Hα-helixtrans-73.2-40.2175.9-69.1177167.800111.3S52 K58 R59S52-E55 PolarHBondContact O-N 3.1Å; E55-K58 PolarHBondContact O-N 2.98Å; E55-R59 WeakPolarHBondContact O-CB 3.34Å; E55-R59 PolarHBondContact O-N 3.44Å
56A81.6Confident77.7Confident42 Ų42111.6 Ų111.635%0.34759%0.594SS.*Hα-helixtrans-60.5-47.5173.700000110.9S52 K58 R59 F60S52-A56 PolarHBondContact O-N 3.15Å; A56-K58 VanDerWaalsContact C-N 3.34Å; A56-K58 PolarHBondContact O-N 2.89Å; A56-R59 PolarHBondContact O-N 3.07Å; A56-R59 VanDerWaalsContact O-N 3.15Å; A56-F60 HydrophobicContact CB-CD2 4.4Å; A56-F60 WeakPolarHBondContact O-CB 3.28Å; A56-F60 WeakPolarHBondContact O-CD2 3.5Å; A56-F60 PolarHBondContact O-N 3.44Å
57H83.2Confident77.3Confident137 Ų137110 Ų11063%0.63459%0.592SS**Hα-helixtrans-61.5-41.6177-169.8-85.3000111.9V53 R59 F60 A61V53-H57 WeakPolarHBondContact O-CB 3.46Å; V53-H57 PolarHBondContact O-N 2.94Å; H57-R59 VanDerWaalsContact C-N 3.3Å; H57-R59 PolarHBondContact O-N 2.66Å; H57-F60 PolarHBondContact O-N 3.09Å; H57-A61 WeakPolarHBondContact O-CA 3.31Å; H57-A61 WeakPolarHBondContact O-CB 3.47Å; H57-A61 PolarHBondContact O-N 3.27Å
58K82.8Confident77.3Confident174 Ų174106.5 Ų106.576%0.75759%0.586SS**Hα-helixtrans-61.3-38.7175.1-76.8173.6-177178.10112.7S54 E55 A56S54-K58 VanDerWaalsContact O-CG 3.28Å; S54-K58 WeakPolarHBondContact O-CG 3.26Å; S54-K58 PolarHBondContact O-N 3.25Å; S54-K58 VanDerWaalsContact O-N 3.09Å; E55-K58 PolarHBondContact O-N 2.98Å; A56-K58 VanDerWaalsContact C-N 3.34Å; A56-K58 PolarHBondContact O-N 2.89Å
59R79.7Confident77.1Confident194 Ų194108.3 Ų108.373%0.73259%0.593SS**Hα-helixtrans-72.3-39.5179.6-172.7177.8177.3-174.9-2.4112.3E55 A56 H57E55-R59 WeakPolarHBondContact O-CB 3.34Å; E55-R59 PolarHBondContact O-N 3.44Å; A56-R59 PolarHBondContact O-N 3.07Å; A56-R59 VanDerWaalsContact O-N 3.15Å; H57-R59 VanDerWaalsContact C-N 3.3Å; H57-R59 PolarHBondContact O-N 2.66Å
60F79.2Confident76.7Confident107 Ų107105.5 Ų105.547%0.46958%0.576SS.*Hα-helixtrans-105.3-5.4-170.2-63.1-66.9000115A56 H57 G62 C63A56-F60 HydrophobicContact CB-CD2 4.4Å; A56-F60 WeakPolarHBondContact O-CB 3.28Å; A56-F60 WeakPolarHBondContact O-CD2 3.5Å; A56-F60 PolarHBondContact O-N 3.44Å; H57-F60 PolarHBondContact O-N 3.09Å; F60-G62 PolarHBondContact O-N 3.07Å; F60-G62 VanDerWaalsContact O-N 3.08Å; F60-C63 HydrophobicContact CB-CB 4.46Å; F60-C63 HydrophobicContact CD1-CB 4.17Å; F60-C63 WeakPolarHBondContact O-CB 3.26Å; F60-C63 PolarHBondContact O-N 3.33Å
61A79.9Confident76.1Confident72 Ų72100 Ų10060%0.59556%0.556SS**THydrogen-bonded Turntrans-56.9-28.3179.200000113.6H57H57-A61 WeakPolarHBondContact O-CA 3.31Å; H57-A61 WeakPolarHBondContact O-CB 3.47Å; H57-A61 PolarHBondContact O-N 3.27Å
62G73.9Confident75.5Confident68 Ų68100.2 Ų100.270%0.70155%0.551SS**THydrogen-bonded Turntrans-96.5-2.3175.500000114.7F60F60-G62 PolarHBondContact O-N 3.07Å; F60-G62 VanDerWaalsContact O-N 3.08Å
63C76.4Confident74.8Confident36 Ų36100.8 Ų100.824%0.24356%0.555CS.*PPolyproline II helixtrans-87.9118.7-179.2-66.30000109.2F60F60-C63 HydrophobicContact CB-CB 4.46Å; F60-C63 HydrophobicContact CD1-CB 4.17Å; F60-C63 WeakPolarHBondContact O-CB 3.26Å; F60-C63 PolarHBondContact O-N 3.33Å
64K72.8Confident73.9Confident157 Ų157102.9 Ų102.968%0.68356%0.562SS**EExtended strand (participates in β ladder)trans-102.9138.7167.4-164.6177.2175.5-167.30108.6
65V68.3Low72.9Confident86 Ų86102.3 Ų102.352%0.52156%0.558SS.*EExtended strand (participates in β ladder)trans-100.6119174.1176.70000107.2
66D71Confident72Confident74 Ų74104.3 Ų104.340%0.39657%0.571SS.*EExtended strand (participates in β ladder)trans-87.9117.9168.4-176.824.5000109.5S68D66-S68 VanDerWaalsContact CG-OG 3.29Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 2.99Å; D66-S68 PolarHBondContact OD1-OG 3.08Å; D66-S68 PolarHBondContact OD2-OG 3.04Å
67S66.9Low71.2Confident75 Ų75107.2 Ų107.252%0.52459%0.589SS.*  trans-1099.6177.466.50000112.5N69 V70S67-N69 VanDerWaalsContact C-N 3.25Å; S67-N69 PolarHBondContact O-N 3.38Å; S67-V70 PolarHBondContact O-N 3.48Å
68S71.8Confident70.1Confident96 Ų96102.6 Ų102.667%0.67158%0.579SS**THydrogen-bonded Turntrans-63.5-27.9-171.464.50000114.2D66D66-S68 VanDerWaalsContact CG-OG 3.29Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 2.99Å; D66-S68 PolarHBondContact OD1-OG 3.08Å; D66-S68 PolarHBondContact OD2-OG 3.04Å
69N67.8Low69Low136 Ų136102.8 Ų102.873%0.72759%0.588SS**THydrogen-bonded Turntrans-120.423.1-175.8-159.722.1000113.5S67S67-N69 VanDerWaalsContact C-N 3.25Å; S67-N69 PolarHBondContact O-N 3.38Å
70V67.7Low68.1Low27 Ų2795.4 Ų95.416%0.16457%0.572CS.*  trans-109.6122.5-178.2-1740000109.4S67 F72 G83S67-V70 PolarHBondContact O-N 3.48Å; V70-F72 HydrophobicContact CB-CE2 4.27Å; V70-F72 HydrophobicContact CB-CZ 4.44Å; V70-F72 HydrophobicContact CG1-CD2 4.43Å; V70-F72 HydrophobicContact CG1-CE1 4.13Å; V70-F72 HydrophobicContact CG1-CE2 4.01Å; V70-F72 HydrophobicContact CG1-CZ 3.85Å; V70-G83 WeakPolarHBondContact CG2-O 3.3Å
71D64.3Low66.9Low85 Ų8598.8 Ų98.846%0.45559%0.586SS.*  trans-92.4120.5171.6-173.76.9000109.2S73D71-S73 VanDerWaalsContact OD1-CB 3.24Å; D71-S73 WeakPolarHBondContact OD1-CB 3.34Å; D71-S73 PolarHBondContact OD1-N 2.65Å; D71-S73 PolarHBondContact OD1-OG 3.36Å; D71-S73 VanDerWaalsContact OD1-OG 3.06Å; D71-S73 PolarHBondContact OD2-OG 3.43Å
72F63.3Low65.9Low152 Ų152102.8 Ų102.867%0.66760%0.596SS**  trans-97.85174.7-66.2-78.5000112.6V70 D74V70-F72 HydrophobicContact CB-CE2 4.27Å; V70-F72 HydrophobicContact CB-CZ 4.44Å; V70-F72 HydrophobicContact CG1-CD2 4.43Å; V70-F72 HydrophobicContact CG1-CE1 4.13Å; V70-F72 HydrophobicContact CG1-CE2 4.01Å; V70-F72 HydrophobicContact CG1-CZ 3.85Å; F72-D74 PolarHBondContact O-N 2.91Å
73S66.9Low65.3Low64 Ų64101.1 Ų101.145%0.44858%0.579SS.*SBendtrans-64.4121.2168.882.30000107.1D71 S75D71-S73 VanDerWaalsContact OD1-CB 3.24Å; D71-S73 WeakPolarHBondContact OD1-CB 3.34Å; D71-S73 PolarHBondContact OD1-N 2.65Å; D71-S73 PolarHBondContact OD1-OG 3.36Å; D71-S73 VanDerWaalsContact OD1-OG 3.06Å; D71-S73 PolarHBondContact OD2-OG 3.43Å; S73-S75 PolarHBondContact O-N 3.43Å
74D65.8Low64.6Low167 Ų167107.4 Ų107.489%0.89360%0.599SS**  trans-66.526.2-177-159.215.9000112.8F72 I76F72-D74 PolarHBondContact O-N 2.91Å; D74-I76 PolarHBondContact O-N 2.86Å
75S65Low63.9Low68 Ų68103.1 Ų103.148%0.47659%0.593SS.*  trans-84.7105.3179.9-174.60000109.5S73 S77 G78S73-S75 PolarHBondContact O-N 3.43Å; S75-S77 PolarHBondContact O-N 3.39Å; S75-G78 PolarHBondContact O-N 3.05Å
76I62.7Low63.3Low173 Ų173103.5 Ų103.589%0.88759%0.591SS**THydrogen-bonded Turntrans-59.2-5.1173.757.6165.7000114.6D74D74-I76 PolarHBondContact O-N 2.86Å
77S66.4Low62.5Low103 Ų103106.1 Ų106.172%0.7260%0.601SS**THydrogen-bonded Turntrans-94-5.7-175.6-169.10000114S75S75-S77 PolarHBondContact O-N 3.39Å
78G58.9Low61.6Low41 Ų41106.8 Ų106.842%0.42360%0.597SS.*  trans-84.9134-17900000113S75 G80S75-G78 PolarHBondContact O-N 3.05Å; G78-G80 PolarHBondContact O-N 3Å; G78-G80 VanDerWaalsContact O-N 3.13Å
79N61.1Low60.5Low178 Ų178109.5 Ų109.595%0.95260%0.604SS**  trans-74.114.8166.5-77.733.5000112.9
80G59.3Low59.3Low38 Ų38110.7 Ų110.739%0.39261%0.605SS.*SBendtrans-70.2142.1176.500000110.6G78 I82G78-G80 PolarHBondContact O-N 3Å; G78-G80 VanDerWaalsContact O-N 3.13Å; G80-I82 PolarHBondContact O-N 3.35Å
81K53.8Low58.3Low178 Ų178117.8 Ų117.877%0.77463%0.63SS**  trans-63.4112.6168.7-88.3-178.5176.1178.20108.1G83K81-G83 PolarHBondContact O-N 2.89Å
82I58.7Low57.3Low156 Ų156119.8 Ų119.880%0.864%0.641SS**  trans-76.5106.5167.1-58.3170.4000106.4G80G80-I82 PolarHBondContact O-N 3.35Å
83G61.3Low56.4Low34 Ų34118.4 Ų118.435%0.35164%0.639SS.*SBendtrans139.7153.1174.300000114V70 K81V70-G83 WeakPolarHBondContact CG2-O 3.3Å; K81-G83 PolarHBondContact O-N 2.89Å
84Y61.8Low55.5Low168 Ų168120 Ų12066%0.65965%0.651SS**  trans-83.5137.7174.533-92.7000110.4
85A58.6Low54.8Low67 Ų67121.3 Ų121.355%0.55465%0.649SS**EExtended strand (participates in β ladder)trans-91125.9163.600000108.2E87A85-E87 PolarHBondContact O-N 2.95Å
86I57.1Low54.1Low94 Ų94124.8 Ų124.848%0.48266%0.662SS.*EExtended strand (participates in β ladder)trans-83.3105.4170.3-56.4172.7000106M88I86-M88 VanDerWaalsContact C-N 3.27Å; I86-M88 HydrophobicContact CG2-CB 4.34Å; I86-M88 HydrophobicContact CG2-CG 3.81Å; I86-M88 HydrophobicContact CG2-SD 3.87Å; I86-M88 PolarHBondContact O-N 3.46Å
87E54Low53.8Low128 Ų128126.4 Ų126.460%0.59866%0.663SS**EExtended strand (participates in β ladder)trans-80.585.7169.5-160.4171.6-14900106.7A85A85-E87 PolarHBondContact O-N 2.95Å
88M46.8Very low53.7Low89 Ų89124.3 Ų124.344%0.43864%0.641SS.*  trans-87.9114.6169.1-100.5160.965.100107.4I86 Q90 D92I86-M88 VanDerWaalsContact C-N 3.27Å; I86-M88 HydrophobicContact CG2-CB 4.34Å; I86-M88 HydrophobicContact CG2-CG 3.81Å; I86-M88 HydrophobicContact CG2-SD 3.87Å; I86-M88 PolarHBondContact O-N 3.46Å; M88-Q90 PolarHBondContact O-N 3.44Å; M88-D92 HydrophobicContact CE-CB 4.33Å
89D49.5Very low54.3Low154 Ų154125 Ų12582%0.82464%0.64SS**SBendtrans-65.28.5174.4-81.1-14.2000113.8
90Q41.8Very low55.2Low161 Ų161121.5 Ų121.575%0.75262%0.621SS**SBendtrans-133.5104.2173.2-73.3-178.97.800108.7M88 D92M88-Q90 PolarHBondContact O-N 3.44Å; Q90-D92 PolarHBondContact O-N 2.92Å
91Y47.5Very low56.2Low176 Ų176122.4 Ų122.469%0.6962%0.618SS**  trans-41.9111.5160.8-68-88.5000108.8L93Y91-L93 VanDerWaalsContact C-N 3.25Å; Y91-L93 PolarHBondContact O-N 3.25Å
92D43.3Very low57.5Low126 Ų126118.5 Ų118.567%0.67461%0.606SS**  trans-68.584.6-178.5-169.35.9000109.4M88 Q90 S94M88-D92 HydrophobicContact CE-CB 4.33Å; Q90-D92 PolarHBondContact O-N 2.92Å; D92-S94 PolarHBondContact O-N 2.98Å
93L44.7Very low58.5Low123 Ų123116.4 Ų116.464%0.64459%0.588SS**  trans-86.411.5-179.7-101.3134000112.6Y91Y91-L93 VanDerWaalsContact C-N 3.25Å; Y91-L93 PolarHBondContact O-N 3.25Å
94S46.8Very low59.5Low99 Ų99116.3 Ų116.369%0.69258%0.578SS**SBendtrans-97.32.5-157.5-56.70000116.2D92D92-S94 PolarHBondContact O-N 2.98Å
95K51.1Low60.5Low193 Ų193113.7 Ų113.784%0.83957%0.572SS**SBendtrans-130.2-31174.5-73.3-166.2177.6-1780117.6
96D50.2Low61.7Low141 Ų141115.3 Ų115.375%0.75456%0.563SS**  trans-118.5111.4-179.6-65.5-40.5000110.1E98D96-E98 VanDerWaalsContact C-N 3.27Å; D96-E98 PolarHBondContact O-N 2.84Å
97K57.8Low63.2Low208 Ų208114.5 Ų114.590%0.90456%0.56SS**  trans-57.298.5164-67.4178.6-177176.80106.5S99K97-S99 PolarHBondContact O-N 3.23Å
98E63.9Low64.7Low59 Ų59112.4 Ų112.428%0.27655%0.55SS.*  trans-49.1131.2-17942.6173.7-169.300111.3D96 R103D96-E98 VanDerWaalsContact C-N 3.27Å; D96-E98 PolarHBondContact O-N 2.84Å; E98-R103 HydrophobicContact CB-CG 4.1Å; E98-R103 VanDerWaalsContact CD-CD 3.5Å; E98-R103 HydrophobicContact CG-CG 3.5Å; E98-R103 VanDerWaalsContact CG-CG 3.5Å; E98-R103 PolarHBondContact O-NE 2.94Å; E98-R103 PolarHBondContact O-NH2 3.43Å; E98-R103 VanDerWaalsContact O-NH2 3.11Å; E98-R103 WeakPolarHBondContact OE1-CD 3.26Å; E98-R103 WeakPolarHBondContact OE1-CG 3.45Å; E98-R103 IonicContact OE1-NE 3.79Å; E98-R103 WeakPolarHBondContact OE2-CG 3.36Å
99S72Confident66.5Low56 Ų56111.7 Ų111.739%0.39255%0.551SS.*  trans-58.4147.3174.375.90000109.2K97 V101 N102 R103K97-S99 PolarHBondContact O-N 3.23Å; S99-V101 PolarHBondContact O-N 3.46Å; S99-N102 PolarHBondContact O-N 3.06Å; S99-N102 WeakPolarHBondContact OG-CB 3.32Å; S99-N102 PolarHBondContact OG-N 3.39Å; S99-N102 VanDerWaalsContact OG-N 3.16Å; S99-N102 PolarHBondContact OG-ND2 2.94Å; S99-N102 PolarHBondContact OG-OD1 3.09Å; S99-R103 PolarHBondContact O-N 3.3Å
100L79.2Confident68.3Low104 Ų104108 Ų10855%0.54553%0.529SS..Hα-helixtrans-59.1-30.6-178.5-66171.7000112R103 F104 L157L100-R103 WeakPolarHBondContact O-CB 3.24Å; L100-F104 WeakPolarHBondContact O-CB 3.47Å; L100-F104 PolarHBondContact O-N 3.41Å; L100-L157 HydrophobicContact CB-CD2 4.06Å
101V81.1Confident70.5Confident57 Ų57100.8 Ų100.835%0.34550%0.495SS..Hα-helixtrans-70-44.5175-178.80000111.1S99 R103 F104 Q105S99-V101 PolarHBondContact O-N 3.46Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 2.9Å; V101-F104 WeakPolarHBondContact O-CB 3.36Å; V101-F104 PolarHBondContact O-N 3.37Å; V101-Q105 PolarHBondContact O-N 2.82Å
102N79.6Confident72.3Confident95 Ų9597.2 Ų97.251%0.50849%0.488SS..Hα-helixtrans-64.8-39177.8-68.24.6000111.1S99 F104 Q105 R106S99-N102 PolarHBondContact O-N 3.06Å; S99-N102 WeakPolarHBondContact OG-CB 3.32Å; S99-N102 PolarHBondContact OG-N 3.39Å; S99-N102 VanDerWaalsContact OG-N 3.16Å; S99-N102 PolarHBondContact OG-ND2 2.94Å; S99-N102 PolarHBondContact OG-OD1 3.09Å; N102-F104 PolarHBondContact O-N 2.98Å; N102-Q105 PolarHBondContact O-N 3.28Å; N102-R106 WeakPolarHBondContact O-CB 3.27Å; N102-R106 PolarHBondContact O-N 3.45Å
103R79.9Confident74.5Confident112 Ų11297 Ų9742%0.42348%0.483SS..Hα-helixtrans-56.4-48.7170.8-89.7-170.9-96.2-155.42.3112.8E98 S99 L100 V101 R106 L107E98-R103 HydrophobicContact CB-CG 4.1Å; E98-R103 VanDerWaalsContact CD-CD 3.5Å; E98-R103 HydrophobicContact CG-CG 3.5Å; E98-R103 VanDerWaalsContact CG-CG 3.5Å; E98-R103 PolarHBondContact O-NE 2.94Å; E98-R103 PolarHBondContact O-NH2 3.43Å; E98-R103 VanDerWaalsContact O-NH2 3.11Å; E98-R103 WeakPolarHBondContact OE1-CD 3.26Å; E98-R103 WeakPolarHBondContact OE1-CG 3.45Å; E98-R103 IonicContact OE1-NE 3.79Å; E98-R103 WeakPolarHBondContact OE2-CG 3.36Å; S99-R103 PolarHBondContact O-N 3.3Å; L100-R103 WeakPolarHBondContact O-CB 3.24Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 2.9Å; R103-R106 PolarHBondContact O-N 3.17Å; R103-L107 WeakPolarHBondContact O-CB 3.41Å; R103-L107 PolarHBondContact O-N 2.79Å
104F82.7Confident76.5Confident32 Ų3295.3 Ų95.314%0.1447%0.474CS..Hα-helixtrans-62.3-45.1-179.9176.3-98.1000111.4L100 V101 N102 L107 Q108 L149 I152L100-F104 WeakPolarHBondContact O-CB 3.47Å; L100-F104 PolarHBondContact O-N 3.41Å; V101-F104 WeakPolarHBondContact O-CB 3.36Å; V101-F104 PolarHBondContact O-N 3.37Å; N102-F104 PolarHBondContact O-N 2.98Å; F104-L107 PolarHBondContact O-N 2.85Å; F104-Q108 PolarHBondContact O-N 3.32Å; F104-L149 HydrophobicContact CD2-CD2 4.45Å; F104-L149 HydrophobicContact CE2-CB 4.33Å; F104-L149 HydrophobicContact CE2-CD2 4.1Å; F104-L149 VanDerWaalsContact CZ-O 3.22Å; F104-L149 WeakPolarHBondContact CZ-O 3.4Å; F104-I152 HydrophobicContact CE2-CB 3.93Å; F104-I152 HydrophobicContact CE2-CG2 4.04Å; F104-I152 HydrophobicContact CZ-CB 4.33Å; F104-I152 WeakPolarHBondContact CZ-O 2.99Å
105Q82.3Confident78.3Confident114 Ų11491.7 Ų91.753%0.53345%0.447SS..Hα-helixtrans-64-41.2176.3-174.9175.8-23.200111.9V101 N102 Q108 T109V101-Q105 PolarHBondContact O-N 2.82Å; N102-Q105 PolarHBondContact O-N 3.28Å; Q105-Q108 WeakPolarHBondContact O-CB 3.41Å; Q105-Q108 PolarHBondContact O-N 3Å; Q105-T109 PolarHBondContact O-N 2.98Å; Q105-T109 PolarHBondContact O-OG1 3.2Å
106R84.7Confident79.9Confident100 Ų10085.4 Ų85.438%0.37743%0.427SS..Hα-helixtrans-60.2-47.1174.8178.1174.1170.7-87-21.4111.2N102 R103 Q108 T109 E110N102-R106 WeakPolarHBondContact O-CB 3.27Å; N102-R106 PolarHBondContact O-N 3.45Å; R103-R106 PolarHBondContact O-N 3.17Å; R106-Q108 VanDerWaalsContact C-N 3.26Å; R106-Q108 PolarHBondContact O-N 3.05Å; R106-T109 WeakPolarHBondContact CA-OG1 3.32Å; R106-T109 PolarHBondContact O-N 3.03Å; R106-T109 VanDerWaalsContact O-N 3.1Å; R106-T109 PolarHBondContact O-OG1 3.46Å; R106-E110 IonicContact CZ-OE2 2.74Å; R106-E110 IonicContact NH1-OE2 3.39Å; R106-E110 IonicContact NH2-OE1 3.02Å; R106-E110 IonicContact NH2-OE2 3.69Å; R106-E110 PolarHBondContact NH2-OE2 2.89Å; R106-E110 VanDerWaalsContact O-CB 3.3Å; R106-E110 WeakPolarHBondContact O-CB 3.36Å; R106-E110 PolarHBondContact O-N 3.26Å
107L87.2Confident81.5Confident77 Ų7782.4 Ų82.440%0.40341%0.411SS..Hα-helixtrans-61.5-38.2177.4-167.364.1000111.2R103 F104 E110 T111 L149R103-L107 WeakPolarHBondContact O-CB 3.41Å; R103-L107 PolarHBondContact O-N 2.79Å; F104-L107 PolarHBondContact O-N 2.85Å; L107-E110 PolarHBondContact O-N 3.04Å; L107-T111 HydrophobicContact CD1-CG2 4.43Å; L107-T111 HydrophobicContact CG-CG2 4.43Å; L107-T111 WeakPolarHBondContact O-CB 3.34Å; L107-T111 WeakPolarHBondContact O-CG2 3.42Å; L107-T111 PolarHBondContact O-N 3.34Å; L107-T111 PolarHBondContact O-OG1 3.47Å; L107-L149 HydrophobicContact CD2-CD1 4.18Å; L107-L149 HydrophobicContact CD2-CD2 3.73Å; L107-L149 HydrophobicContact CG-CD1 3.95Å; L107-L149 HydrophobicContact CG-CD2 4.38Å
108Q86.3Confident82.6Confident85 Ų8573.2 Ų73.240%0.39737%0.371SS..Hα-helixtrans-61.2-45.6172.5-171.7-178.540.700111.8F104 Q105 R106 T111 L112F104-Q108 PolarHBondContact O-N 3.32Å; Q105-Q108 WeakPolarHBondContact O-CB 3.41Å; Q105-Q108 PolarHBondContact O-N 3Å; R106-Q108 VanDerWaalsContact C-N 3.26Å; R106-Q108 PolarHBondContact O-N 3.05Å; Q108-T111 PolarHBondContact O-N 2.94Å; Q108-T111 PolarHBondContact O-OG1 3.33Å; Q108-L112 WeakPolarHBondContact O-CG 3.36Å; Q108-L112 PolarHBondContact O-N 2.88Å; Q108-L112 VanDerWaalsContact O-N 3.14Å
109T84.1Confident83.4Confident74 Ų7475.1 Ų75.145%0.45438%0.38SS..Hα-helixtrans-67.6-40.617852.90000112.9Q105 R106 T111 L112 Q113Q105-T109 PolarHBondContact O-N 2.98Å; Q105-T109 PolarHBondContact O-OG1 3.2Å; R106-T109 WeakPolarHBondContact CA-OG1 3.32Å; R106-T109 PolarHBondContact O-N 3.03Å; R106-T109 VanDerWaalsContact O-N 3.1Å; R106-T109 PolarHBondContact O-OG1 3.46Å; T109-T111 VanDerWaalsContact C-N 3.27Å; T109-T111 PolarHBondContact O-N 3.12Å; T109-L112 PolarHBondContact O-N 2.85Å; T109-Q113 WeakPolarHBondContact O-CB 3.4Å; T109-Q113 PolarHBondContact O-N 3.36Å
110E87.5Confident83.7Confident77 Ų7775.6 Ų75.636%0.3638%0.38SS..Hα-helixtrans-66.5-33.1-179.7-172.6166.2-168.500111R106 L107 Q113 L114R106-E110 IonicContact CZ-OE2 2.74Å; R106-E110 IonicContact NH1-OE2 3.39Å; R106-E110 IonicContact NH2-OE1 3.02Å; R106-E110 IonicContact NH2-OE2 3.69Å; R106-E110 PolarHBondContact NH2-OE2 2.89Å; R106-E110 VanDerWaalsContact O-CB 3.3Å; R106-E110 WeakPolarHBondContact O-CB 3.36Å; R106-E110 PolarHBondContact O-N 3.26Å; L107-E110 PolarHBondContact O-N 3.04Å; E110-Q113 PolarHBondContact O-N 3.49Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 3.39Å
111T88.5Confident83.5Confident8 Ų873.8 Ų73.85%0.04937%0.373CS..Hα-helixtrans-77.6-34177.8570000112.5L107 Q108 T109 I115 L145 L149L107-T111 HydrophobicContact CD1-CG2 4.43Å; L107-T111 HydrophobicContact CG-CG2 4.43Å; L107-T111 WeakPolarHBondContact O-CB 3.34Å; L107-T111 WeakPolarHBondContact O-CG2 3.42Å; L107-T111 PolarHBondContact O-N 3.34Å; L107-T111 PolarHBondContact O-OG1 3.47Å; Q108-T111 PolarHBondContact O-N 2.94Å; Q108-T111 PolarHBondContact O-OG1 3.33Å; T109-T111 VanDerWaalsContact C-N 3.27Å; T109-T111 PolarHBondContact O-N 3.12Å; T111-I115 WeakPolarHBondContact O-CD1 3.45Å; T111-I115 VanDerWaalsContact O-CG1 3.24Å; T111-I115 WeakPolarHBondContact O-CG1 3.44Å; T111-I115 PolarHBondContact O-N 2.72Å; T111-L145 HydrophobicContact CG2-CD2 3.04Å; T111-L149 HydrophobicContact CG2-CD1 3.97Å
112L86.3Confident83.1Confident102 Ų10273.6 Ų73.653%0.53438%0.375SS..Hα-helixtrans-66.1-41.4168.9-70.1173.7000111.5Q108 T109 I115 S116Q108-L112 WeakPolarHBondContact O-CG 3.36Å; Q108-L112 PolarHBondContact O-N 2.88Å; Q108-L112 VanDerWaalsContact O-N 3.14Å; T109-L112 PolarHBondContact O-N 2.85Å; L112-I115 PolarHBondContact O-N 3.07Å; L112-S116 PolarHBondContact O-N 2.91Å
113Q87.9Confident82.4Confident122 Ų12274.7 Ų74.757%0.5738%0.381SS*.Hα-helixtrans-62.9-45.7174.9-174.4176.2-10.600110.9T109 E110 I115 S116 D117T109-Q113 WeakPolarHBondContact O-CB 3.4Å; T109-Q113 PolarHBondContact O-N 3.36Å; E110-Q113 PolarHBondContact O-N 3.49Å; Q113-I115 VanDerWaalsContact C-N 3.28Å; Q113-I115 PolarHBondContact O-N 3.18Å; Q113-S116 CarbonylContact O-C 3.48Å; Q113-S116 WeakPolarHBondContact O-CA 3.44Å; Q113-S116 WeakPolarHBondContact O-CB 3.35Å; Q113-S116 PolarHBondContact O-N 2.84Å; Q113-D117 PolarHBondContact O-N 3.23Å
114L86.5Confident81.6Confident87 Ų8775.2 Ų75.246%0.45539%0.388SS..Hα-helixtrans-57.9-40175.2-178.963.5000112.1E110 D117 I118 A142E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 3.39Å; L114-D117 PolarHBondContact O-N 3.38Å; L114-I118 HydrophobicContact CD1-CD1 4.1Å; L114-I118 HydrophobicContact CD1-CG1 4.32Å; L114-I118 HydrophobicContact CG-CD1 3.9Å; L114-I118 WeakPolarHBondContact O-CB 3.32Å; L114-I118 WeakPolarHBondContact O-CD1 3.38Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.16Å; L114-A142 HydrophobicContact CD2-CB 4.46Å
115I85.9Confident80.4Confident23 Ų2376.1 Ų76.112%0.11839%0.394CS..Hα-helixtrans-63.3-44.9174.9-70.3163.9000110.7T111 L112 Q113 I118 Q119 A142T111-I115 WeakPolarHBondContact O-CD1 3.45Å; T111-I115 VanDerWaalsContact O-CG1 3.24Å; T111-I115 WeakPolarHBondContact O-CG1 3.44Å; T111-I115 PolarHBondContact O-N 2.72Å; L112-I115 PolarHBondContact O-N 3.07Å; Q113-I115 VanDerWaalsContact C-N 3.28Å; Q113-I115 PolarHBondContact O-N 3.18Å; I115-I118 PolarHBondContact O-N 3.16Å; I115-Q119 WeakPolarHBondContact O-CG 3.4Å; I115-Q119 PolarHBondContact O-N 3.49Å; I115-A142 HydrophobicContact CD1-CB 4.38Å; I115-A142 HydrophobicContact CG1-CB 3.69Å
116S85Confident79.1Confident60 Ų6077.3 Ų77.342%0.4240%0.404SS..Hα-helixtrans-61.1-44.6176.5-174.30000111.7L112 Q113 Q119 V120L112-S116 PolarHBondContact O-N 2.91Å; Q113-S116 CarbonylContact O-C 3.48Å; Q113-S116 WeakPolarHBondContact O-CA 3.44Å; Q113-S116 WeakPolarHBondContact O-CB 3.35Å; Q113-S116 PolarHBondContact O-N 2.84Å; S116-Q119 WeakPolarHBondContact O-CB 3.3Å; S116-Q119 PolarHBondContact O-N 2.86Å; S116-V120 WeakPolarHBondContact O-CG2 3.44Å; S116-V120 PolarHBondContact O-N 3.4Å
117D82.9Confident77.6Confident79 Ų7980 Ų8042%0.42243%0.425SS..Hα-helixtrans-65.8-40.4179.7-67.7-16000111.1Q113 L114 Q119 V120 V121Q113-D117 PolarHBondContact O-N 3.23Å; L114-D117 PolarHBondContact O-N 3.38Å; D117-Q119 VanDerWaalsContact C-N 3.31Å; D117-Q119 PolarHBondContact O-N 3.19Å; D117-V120 PolarHBondContact O-N 3.35Å; D117-V121 WeakPolarHBondContact O-CB 3.48Å; D117-V121 VanDerWaalsContact O-CG2 3.25Å; D117-V121 WeakPolarHBondContact O-CG2 3.22Å; D117-V121 PolarHBondContact O-N 2.91Å
118I81.3Confident75.7Confident15 Ų1581.9 Ų81.98%0.07744%0.436CS..Hα-helixtrans-64.1-37.1174.5-66.8163.3000111.2L114 I115 V121 S122 L138 L139 A142L114-I118 HydrophobicContact CD1-CD1 4.1Å; L114-I118 HydrophobicContact CD1-CG1 4.32Å; L114-I118 HydrophobicContact CG-CD1 3.9Å; L114-I118 WeakPolarHBondContact O-CB 3.32Å; L114-I118 WeakPolarHBondContact O-CD1 3.38Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.16Å; I115-I118 PolarHBondContact O-N 3.16Å; I118-V121 PolarHBondContact O-N 3.1Å; I118-S122 VanDerWaalsContact O-CB 3.32Å; I118-S122 WeakPolarHBondContact O-CB 3.47Å; I118-S122 PolarHBondContact O-N 2.92Å; I118-L138 HydrophobicContact CD1-CB 3.92Å; I118-L139 HydrophobicContact CG2-CB 3.93Å; I118-L139 HydrophobicContact CG2-CD1 3.94Å; I118-L139 HydrophobicContact CG2-CG 4.46Å; I118-A142 HydrophobicContact CD1-CB 4.33Å
119Q79.8Confident74Confident99 Ų9983.2 Ų83.246%0.46345%0.452SS..Hα-helixtrans-66.1-45.2175.3-75175.4-19.200111.5I115 S116 D117 V121 S122 D123 L139I115-Q119 WeakPolarHBondContact O-CG 3.4Å; I115-Q119 PolarHBondContact O-N 3.49Å; S116-Q119 WeakPolarHBondContact O-CB 3.3Å; S116-Q119 PolarHBondContact O-N 2.86Å; D117-Q119 VanDerWaalsContact C-N 3.31Å; D117-Q119 PolarHBondContact O-N 3.19Å; Q119-V121 VanDerWaalsContact C-N 3.32Å; Q119-V121 PolarHBondContact O-N 3.44Å; Q119-S122 WeakPolarHBondContact O-CA 3.34Å; Q119-S122 WeakPolarHBondContact O-CB 3.48Å; Q119-S122 PolarHBondContact O-N 3.35Å; Q119-S122 VanDerWaalsContact O-N 3.1Å; Q119-D123 PolarHBondContact O-N 2.74Å; Q119-L139 HydrophobicContact CG-CD1 4.15Å
120V79.9Confident72.4Confident65 Ų6588.9 Ų88.939%0.39447%0.47SS..Hα-helixtrans-60.3-43.3174.31730000111S116 D117 S122 D123 Q124S116-V120 WeakPolarHBondContact O-CG2 3.44Å; S116-V120 PolarHBondContact O-N 3.4Å; D117-V120 PolarHBondContact O-N 3.35Å; V120-S122 VanDerWaalsContact C-N 3.33Å; V120-S122 PolarHBondContact O-N 3.3Å; V120-D123 PolarHBondContact O-N 3.22Å; V120-Q124 HydrophobicContact CG1-CG 4.45Å; V120-Q124 WeakPolarHBondContact O-CB 3.45Å; V120-Q124 VanDerWaalsContact O-CG 3.32Å; V120-Q124 WeakPolarHBondContact O-CG 2.99Å; V120-Q124 PolarHBondContact O-N 2.93Å
121V75Confident70.5Confident66 Ų6691.9 Ų91.940%0.448%0.484SS..Hα-helixtrans-64.4-38.5175171.30000110.8D117 I118 Q119 D123 Q124 N125 T135D117-V121 WeakPolarHBondContact O-CB 3.48Å; D117-V121 VanDerWaalsContact O-CG2 3.25Å; D117-V121 WeakPolarHBondContact O-CG2 3.22Å; D117-V121 PolarHBondContact O-N 2.91Å; I118-V121 PolarHBondContact O-N 3.1Å; Q119-V121 VanDerWaalsContact C-N 3.32Å; Q119-V121 PolarHBondContact O-N 3.44Å; V121-D123 VanDerWaalsContact C-N 3.35Å; V121-Q124 PolarHBondContact O-N 3.14Å; V121-N125 VanDerWaalsContact O-CB 3.27Å; V121-N125 WeakPolarHBondContact O-CB 3.36Å; V121-N125 PolarHBondContact O-N 3.49Å; V121-T135 HydrophobicContact CG1-CG2 4.02Å
122S71.8Confident68.8Low54 Ų5495.2 Ų95.238%0.37851%0.506SS..Hα-helixtrans-62.1-42.1175.1-174.80000111.6I118 Q119 V120I118-S122 VanDerWaalsContact O-CB 3.32Å; I118-S122 WeakPolarHBondContact O-CB 3.47Å; I118-S122 PolarHBondContact O-N 2.92Å; Q119-S122 WeakPolarHBondContact O-CA 3.34Å; Q119-S122 WeakPolarHBondContact O-CB 3.48Å; Q119-S122 PolarHBondContact O-N 3.35Å; Q119-S122 VanDerWaalsContact O-N 3.1Å; V120-S122 VanDerWaalsContact C-N 3.33Å; V120-S122 PolarHBondContact O-N 3.3Å
123D66Low67.2Low117 Ų11797.3 Ų97.363%0.62652%0.516SS*.Hα-helixtrans-66.2-41.2176.5-70.4-22.8000111.3Q119 V120 V121 N126Q119-D123 PolarHBondContact O-N 2.74Å; V120-D123 PolarHBondContact O-N 3.22Å; V121-D123 VanDerWaalsContact C-N 3.35Å; D123-N126 PolarHBondContact O-ND2 3Å
124Q62.9Low65.9Low124 Ų12494.6 Ų94.658%0.57951%0.51SS*.Hα-helixtrans-73.5-32.1177.5-71.2-178.77.200113.6V120 V121 N126 L127V120-Q124 HydrophobicContact CG1-CG 4.45Å; V120-Q124 WeakPolarHBondContact O-CB 3.45Å; V120-Q124 VanDerWaalsContact O-CG 3.32Å; V120-Q124 WeakPolarHBondContact O-CG 2.99Å; V120-Q124 PolarHBondContact O-N 2.93Å; V121-Q124 PolarHBondContact O-N 3.14Å; Q124-N126 PolarHBondContact O-N 3.36Å; Q124-N126 VanDerWaalsContact O-N 3.11Å; Q124-L127 VanDerWaalsContact O-CB 3.31Å; Q124-L127 WeakPolarHBondContact O-CB 3.24Å; Q124-L127 PolarHBondContact O-N 2.95Å
125N56.8Low65Low50 Ų5091.5 Ų91.527%0.26750%0.495SS..G310 helixtrans-67.8-10.6-179.4-122.2-1.2000112.7V121 L127 N128V121-N125 VanDerWaalsContact O-CB 3.27Å; V121-N125 WeakPolarHBondContact O-CB 3.36Å; V121-N125 PolarHBondContact O-N 3.49Å; N125-L127 PolarHBondContact O-N 3.11Å; N125-N128 PolarHBondContact O-N 2.92Å; N125-N128 PolarHBondContact OD1-O 3.49Å; N125-N128 VanDerWaalsContact OD1-O 3.12Å
126N53.9Low64.4Low140 Ų14093.6 Ų93.675%0.74952%0.516SS*.G310 helixtrans-57.9-13.1162.3-73.9-52.7000112.8D123 Q124D123-N126 PolarHBondContact O-ND2 3Å; Q124-N126 PolarHBondContact O-N 3.36Å; Q124-N126 VanDerWaalsContact O-N 3.11Å
127L53.3Low64Low156 Ų15697 Ų9782%0.81753%0.525SS*.G310 helixtrans-101.9-9.9177.9-64.2165.5000114.7Q124 N125Q124-L127 VanDerWaalsContact O-CB 3.31Å; Q124-L127 WeakPolarHBondContact O-CB 3.24Å; Q124-L127 PolarHBondContact O-N 2.95Å; N125-L127 PolarHBondContact O-N 3.11Å
128N48.2Very low63.8Low117 Ų11797.7 Ų97.763%0.62653%0.528SS*.  trans-147.1114.7177.6-129.1-18.5000114N125 K130N125-N128 PolarHBondContact O-N 2.92Å; N125-N128 PolarHBondContact OD1-O 3.49Å; N125-N128 VanDerWaalsContact OD1-O 3.12Å; N128-K130 PolarHBondContact O-N 2.79Å
129P50.9Low63.7Low112 Ų11299 Ų9973%0.72754%0.535SS*.THydrogen-bonded Turntrans-91.520.7-159.437.3-39.9000116
130K50.1Low63.9Low194 Ų19497 Ų9784%0.84353%0.532SS*.THydrogen-bonded Turntrans-90.7-18.7-171.2-92.9-178.1176.8178.60117.1N128N128-K130 PolarHBondContact O-N 2.79Å
131E47.6Very low63.9Low140 Ų14096.2 Ų96.265%0.65453%0.529SS*.  trans-146.661.2178.3-62.7-171.2179.300114.6I133E131-I133 VanDerWaalsContact C-N 3.33Å; E131-I133 PolarHBondContact O-N 3.31Å
132P53.7Low64.3Low78 Ų7893.4 Ų93.451%0.50651%0.513SS..Hα-helixtrans-73.5-20.2178.628.7-34000114.1T135P132-T135 PolarHBondContact O-OG1 2.84Å
133I52.1Low64.9Low146 Ų14694.6 Ų94.675%0.74951%0.512SS*.Hα-helixtrans-76.7-29.4-171.1-59.2163.1000111.4E131E131-I133 VanDerWaalsContact C-N 3.33Å; E131-I133 PolarHBondContact O-N 3.31Å
134S60.3Low65.9Low64 Ų6493.6 Ų93.645%0.44851%0.505SS..Hα-helixtrans-72.9-32.5-177.5-60.90000112.8L138S134-L138 WeakPolarHBondContact O-CB 3.37Å; S134-L138 WeakPolarHBondContact O-CD1 3.47Å; S134-L138 VanDerWaalsContact O-CG 3.22Å; S134-L138 WeakPolarHBondContact O-CG 3.18Å; S134-L138 PolarHBondContact O-N 3.48Å
135T68.6Low67Low23 Ų2391.3 Ų91.314%0.14150%0.496CS..Hα-helixtrans-71.6-42-175.460.60000112.4V121 P132 L138 L139V121-T135 HydrophobicContact CG1-CG2 4.02Å; P132-T135 PolarHBondContact O-OG1 2.84Å; T135-L138 PolarHBondContact O-N 3.4Å; T135-L139 WeakPolarHBondContact O-CB 3.32Å; T135-L139 PolarHBondContact O-N 2.86Å
136A72.3Confident68.3Low67 Ų6790.5 Ų90.555%0.55450%0.495SS*.Hα-helixtrans-66.9-39.1-179.900000112.4L139 S140A136-L139 PolarHBondContact O-N 3.31Å; A136-S140 PolarHBondContact O-N 3.29Å; A136-S140 VanDerWaalsContact O-N 3.09Å
137H75.8Confident69.7Low130 Ų13090.1 Ų90.160%0.60249%0.487SS*.Hα-helixtrans-69.8-39.3176.2-167-97.4000111.6S140 C141H137-S140 PolarHBondContact O-N 2.82Å; H137-C141 WeakPolarHBondContact O-CB 3.44Å; H137-C141 PolarHBondContact O-N 3.06Å; H137-C141 PolarHBondContact O-SG 3Å; H137-C141 VanDerWaalsContact O-SG 3.37Å
138L78.9Confident71.1Confident95 Ų9589.8 Ų89.850%0.49748%0.478SS..Hα-helixtrans-62.2-41.2173.5-77.8168.9000112.1I118 S134 T135 C141 A142I118-L138 HydrophobicContact CD1-CB 3.92Å; S134-L138 WeakPolarHBondContact O-CB 3.37Å; S134-L138 WeakPolarHBondContact O-CD1 3.47Å; S134-L138 VanDerWaalsContact O-CG 3.22Å; S134-L138 WeakPolarHBondContact O-CG 3.18Å; S134-L138 PolarHBondContact O-N 3.48Å; T135-L138 PolarHBondContact O-N 3.4Å; L138-C141 PolarHBondContact O-N 2.99Å; L138-A142 WeakPolarHBondContact O-CB 3.42Å; L138-A142 PolarHBondContact O-N 3.44Å
139L80.8Confident72.6Confident43 Ų4385 Ų8523%0.22545%0.452CS..Hα-helixtrans-62-47.1176.7-169.4133.4000111.3I118 Q119 T135 A136 C141 A142 E143I118-L139 HydrophobicContact CG2-CB 3.93Å; I118-L139 HydrophobicContact CG2-CD1 3.94Å; I118-L139 HydrophobicContact CG2-CG 4.46Å; Q119-L139 HydrophobicContact CG-CD1 4.15Å; T135-L139 WeakPolarHBondContact O-CB 3.32Å; T135-L139 PolarHBondContact O-N 2.86Å; A136-L139 PolarHBondContact O-N 3.31Å; L139-C141 VanDerWaalsContact C-N 3.35Å; L139-C141 PolarHBondContact O-N 3.21Å; L139-A142 PolarHBondContact O-N 3.44Å; L139-E143 HydrophobicContact CD2-CG 4.47Å; L139-E143 WeakPolarHBondContact CD2-OE1 3.35Å; L139-E143 WeakPolarHBondContact O-CG 3.22Å; L139-E143 PolarHBondContact O-N 3.41Å
140S82.6Confident74Confident57 Ų5783.8 Ų83.840%0.39945%0.447SS..Hα-helixtrans-59.5-43.6174.8-178.50000112.2A136 H137 E143 M144A136-S140 PolarHBondContact O-N 3.29Å; A136-S140 VanDerWaalsContact O-N 3.09Å; H137-S140 PolarHBondContact O-N 2.82Å; S140-E143 PolarHBondContact O-N 3.33Å; S140-M144 WeakPolarHBondContact O-CG 3.46Å; S140-M144 PolarHBondContact O-N 3.43Å
141C80Confident75.4Confident48 Ų4880 Ų8032%0.32444%0.441SS..Hα-helixtrans-62.5-42.5175.2-75.90000112.8H137 L138 L139 M144 L145H137-C141 WeakPolarHBondContact O-CB 3.44Å; H137-C141 PolarHBondContact O-N 3.06Å; H137-C141 PolarHBondContact O-SG 3Å; H137-C141 VanDerWaalsContact O-SG 3.37Å; L138-C141 PolarHBondContact O-N 2.99Å; L139-C141 VanDerWaalsContact C-N 3.35Å; L139-C141 PolarHBondContact O-N 3.21Å; C141-M144 HydrophobicContact CB-CE 4.49Å; C141-M144 PolarHBondContact O-N 2.88Å; C141-L145 WeakPolarHBondContact O-CB 3.26Å; C141-L145 PolarHBondContact O-N 3.02Å
142A83.8Confident76.6Confident7 Ų777.1 Ų77.16%0.05843%0.429CS..Hα-helixtrans-66.8-39.4178.700000111.8L114 I115 I118 L138 L139 L145 S146L114-A142 HydrophobicContact CD2-CB 4.46Å; I115-A142 HydrophobicContact CD1-CB 4.38Å; I115-A142 HydrophobicContact CG1-CB 3.69Å; I118-A142 HydrophobicContact CD1-CB 4.33Å; L138-A142 WeakPolarHBondContact O-CB 3.42Å; L138-A142 PolarHBondContact O-N 3.44Å; L139-A142 PolarHBondContact O-N 3.44Å; A142-L145 PolarHBondContact O-N 2.93Å; A142-S146 PolarHBondContact O-N 2.94Å
143E85.5Confident77.3Confident78 Ų7878.3 Ų78.336%0.36443%0.431SS..Hα-helixtrans-66.2-38.8172.9-73.3-175.4-177.900112.9L139 S140 L145 S146 K147L139-E143 HydrophobicContact CD2-CG 4.47Å; L139-E143 WeakPolarHBondContact CD2-OE1 3.35Å; L139-E143 WeakPolarHBondContact O-CG 3.22Å; L139-E143 PolarHBondContact O-N 3.41Å; S140-E143 PolarHBondContact O-N 3.33Å; E143-L145 VanDerWaalsContact C-N 3.26Å; E143-L145 PolarHBondContact O-N 3.1Å; E143-S146 PolarHBondContact O-OG 3.49Å; E143-K147 WeakPolarHBondContact O-CB 3.34Å; E143-K147 VanDerWaalsContact O-CG 3.27Å; E143-K147 WeakPolarHBondContact O-CG 3.48Å; E143-K147 PolarHBondContact O-N 2.78Å
144M85.9Confident77.7Confident97 Ų9774.7 Ų74.748%0.47842%0.416SS..Hα-helixtrans-62.9-38.4172.9-75.5-166.9-62.700111.3S140 C141 K148S140-M144 WeakPolarHBondContact O-CG 3.46Å; S140-M144 PolarHBondContact O-N 3.43Å; C141-M144 HydrophobicContact CB-CE 4.49Å; C141-M144 PolarHBondContact O-N 2.88Å; M144-K148 WeakPolarHBondContact O-CG 3.34Å; M144-K148 PolarHBondContact O-N 3.34Å
145L85.9Confident77.6Confident75 Ų7574.6 Ų74.639%0.39342%0.42SS..Hα-helixtrans-70.1-43.2179.3-169.3115.6000111.5T111 C141 A142 E143 K147 K148 L149T111-L145 HydrophobicContact CG2-CD2 3.04Å; C141-L145 WeakPolarHBondContact O-CB 3.26Å; C141-L145 PolarHBondContact O-N 3.02Å; A142-L145 PolarHBondContact O-N 2.93Å; E143-L145 VanDerWaalsContact C-N 3.26Å; E143-L145 PolarHBondContact O-N 3.1Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 2.73Å; L145-K148 PolarHBondContact O-N 3.45Å; L145-K148 VanDerWaalsContact O-N 3.15Å; L145-L149 HydrophobicContact CD2-CD1 3.92Å; L145-L149 HydrophobicContact CG-CD1 4.42Å; L145-L149 WeakPolarHBondContact O-CG 3.47Å; L145-L149 PolarHBondContact O-N 2.9Å
146S83.8Confident77.1Confident34 Ų3480.5 Ų80.524%0.23845%0.446CS..Hα-helixtrans-62.1-37.917571.50000112.1A142 E143 L149 S150A142-S146 PolarHBondContact O-N 2.94Å; E143-S146 PolarHBondContact O-OG 3.49Å; S146-L149 PolarHBondContact O-N 2.84Å; S146-S150 WeakPolarHBondContact O-CB 3.39Å; S146-S150 PolarHBondContact O-N 3.29Å
147K84.2Confident76.2Confident132 Ų13279.8 Ų79.857%0.57443%0.433SS*.Hα-helixtrans-63-43.6172.1-73.8170.5-1761660112.3E143 L145 S150 T151E143-K147 WeakPolarHBondContact O-CB 3.34Å; E143-K147 VanDerWaalsContact O-CG 3.27Å; E143-K147 WeakPolarHBondContact O-CG 3.48Å; E143-K147 PolarHBondContact O-N 2.78Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 2.73Å; K147-S150 PolarHBondContact O-N 3.3Å; K147-T151 PolarHBondContact O-N 3.11Å; K147-T151 VanDerWaalsContact O-N 3.1Å; K147-T151 PolarHBondContact O-OG1 3.21Å
148K83.3Confident75Confident148 Ų14876.6 Ų76.664%0.64343%0.425SS*.Hα-helixtrans-64-43175.8-76.5-179.2178.8-177.60112M144 L145 T151 I152M144-K148 WeakPolarHBondContact O-CG 3.34Å; M144-K148 PolarHBondContact O-N 3.34Å; L145-K148 PolarHBondContact O-N 3.45Å; L145-K148 VanDerWaalsContact O-N 3.15Å; K148-T151 WeakPolarHBondContact O-CB 3.2Å; K148-T151 PolarHBondContact O-N 2.85Å; K148-I152 PolarHBondContact O-N 3.06Å
149L79.2Confident73.6Confident16 Ų1676.7 Ų76.78%0.08443%0.429CS..Hα-helixtrans-64.1-42.3176.5-67175.4000111.3F104 L107 T111 L145 S146 T151 I152F104-L149 HydrophobicContact CD2-CD2 4.45Å; F104-L149 HydrophobicContact CE2-CB 4.33Å; F104-L149 HydrophobicContact CE2-CD2 4.1Å; F104-L149 VanDerWaalsContact CZ-O 3.22Å; F104-L149 WeakPolarHBondContact CZ-O 3.4Å; L107-L149 HydrophobicContact CD2-CD1 4.18Å; L107-L149 HydrophobicContact CD2-CD2 3.73Å; L107-L149 HydrophobicContact CG-CD1 3.95Å; L107-L149 HydrophobicContact CG-CD2 4.38Å; T111-L149 HydrophobicContact CG2-CD1 3.97Å; L145-L149 HydrophobicContact CD2-CD1 3.92Å; L145-L149 HydrophobicContact CG-CD1 4.42Å; L145-L149 WeakPolarHBondContact O-CG 3.47Å; L145-L149 PolarHBondContact O-N 2.9Å; S146-L149 PolarHBondContact O-N 2.84Å; L149-T151 VanDerWaalsContact C-N 3.27Å; L149-T151 PolarHBondContact O-N 3.12Å; L149-I152 PolarHBondContact O-N 2.9Å; L149-I152 VanDerWaalsContact O-N 3.15Å
150S79.3Confident72.1Confident88 Ų8880.3 Ų80.362%0.61545%0.453SS*.Hα-helixtrans-59.7-33.4174.4167.60000113.7S146 K147 I152S146-S150 WeakPolarHBondContact O-CB 3.39Å; S146-S150 PolarHBondContact O-N 3.29Å; K147-S150 PolarHBondContact O-N 3.3Å; S150-I152 VanDerWaalsContact C-N 3.29Å; S150-I152 PolarHBondContact O-N 2.9Å
151T80.1Confident70.1Confident115 Ų11581.3 Ų81.371%0.70646%0.459SS*.Hα-helixtrans-69-29.8178.3-51.90000112K147 K148 L149 N153K147-T151 PolarHBondContact O-N 3.11Å; K147-T151 VanDerWaalsContact O-N 3.1Å; K147-T151 PolarHBondContact O-OG1 3.21Å; K148-T151 WeakPolarHBondContact O-CB 3.2Å; K148-T151 PolarHBondContact O-N 2.85Å; L149-T151 VanDerWaalsContact C-N 3.27Å; L149-T151 PolarHBondContact O-N 3.12Å; T151-N153 PolarHBondContact O-N 3.26Å
152I73.5Confident68.4Low79 Ų7985.1 Ų85.141%0.40548%0.475SS..SBendtrans-75.895.2176.5-59.2169.6000107.2F104 K148 L149 S150 L157F104-I152 HydrophobicContact CE2-CB 3.93Å; F104-I152 HydrophobicContact CE2-CG2 4.04Å; F104-I152 HydrophobicContact CZ-CB 4.33Å; F104-I152 WeakPolarHBondContact CZ-O 2.99Å; K148-I152 PolarHBondContact O-N 3.06Å; L149-I152 PolarHBondContact O-N 2.9Å; L149-I152 VanDerWaalsContact O-N 3.15Å; S150-I152 VanDerWaalsContact C-N 3.29Å; S150-I152 PolarHBondContact O-N 2.9Å; I152-L157 HydrophobicContact CG2-CD1 3.45Å; I152-L157 VanDerWaalsContact CG2-CD1 3.45Å
153N67.4Low66.5Low103 Ų10392.2 Ų92.255%0.55151%0.513SS*.  trans-65127.2-177.5-119.8-26.6000109.9T151 A155 E156T151-N153 PolarHBondContact O-N 3.26Å; N153-A155 PolarHBondContact O-N 3.36Å; N153-E156 PolarHBondContact O-N 3.1Å; N153-E156 VanDerWaalsContact O-N 3.07Å
154P60.6Low64.5Low69 Ų6991.6 Ų91.645%0.44852%0.517SS..Hα-helixtrans-61.2-20.5179.924.9-34.7000112.9S158P154-S158 PolarHBondContact O-N 3.31Å; P154-S158 VanDerWaalsContact O-N 3.08Å; P154-S158 PolarHBondContact O-OG 3.46Å
155A57.3Low63Low63 Ų6391.2 Ų91.252%0.52152%0.524SS..Hα-helixtrans-62.8-38.4175.400000112.6N153 S158 T159N153-A155 PolarHBondContact O-N 3.36Å; A155-S158 PolarHBondContact O-N 3.45Å; A155-T159 WeakPolarHBondContact O-CG2 3.32Å; A155-T159 PolarHBondContact O-N 3.49Å
156E59.7Low61.4Low147 Ų14794.2 Ų94.269%0.68754%0.54SS*.Hα-helixtrans-71.1-40179.7-71.9-165.3171.500111.8N153 S158 T159N153-E156 PolarHBondContact O-N 3.1Å; N153-E156 VanDerWaalsContact O-N 3.07Å; E156-S158 PolarHBondContact O-N 2.86Å; E156-T159 PolarHBondContact O-N 3.43Å; E156-T159 VanDerWaalsContact O-N 3.09Å; E156-T159 PolarHBondContact O-OG1 3.31Å
157L51.8Low60Low52 Ų5296.2 Ų96.227%0.27255%0.551SS.*Hα-helixtrans-65.2-30.6173.7-84.4110.6000112.5L100 I152 T159 V160L100-L157 HydrophobicContact CB-CD2 4.06Å; I152-L157 HydrophobicContact CG2-CD1 3.45Å; I152-L157 VanDerWaalsContact CG2-CD1 3.45Å; L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 PolarHBondContact O-N 2.96Å; L157-V160 PolarHBondContact O-N 3.49Å
158S51.3Low58.6Low63 Ų6392.7 Ų92.744%0.44154%0.54SS..Hα-helixtrans-67.4-28.1173.9-620000112.4P154 A155 E156 V160 C161P154-S158 PolarHBondContact O-N 3.31Å; P154-S158 VanDerWaalsContact O-N 3.08Å; P154-S158 PolarHBondContact O-OG 3.46Å; A155-S158 PolarHBondContact O-N 3.45Å; E156-S158 PolarHBondContact O-N 2.86Å; S158-V160 VanDerWaalsContact C-N 3.28Å; S158-V160 PolarHBondContact O-N 3.32Å; S158-C161 WeakPolarHBondContact O-CB 3.3Å; S158-C161 PolarHBondContact O-N 2.81Å
159T50.3Low57.4Low96 Ų9687.9 Ų87.959%0.58953%0.533SS*.Hα-helixtrans-67.9-24.9179.566.20000114.2A155 E156 L157 C161A155-T159 WeakPolarHBondContact O-CG2 3.32Å; A155-T159 PolarHBondContact O-N 3.49Å; E156-T159 PolarHBondContact O-N 3.43Å; E156-T159 VanDerWaalsContact O-N 3.09Å; E156-T159 PolarHBondContact O-OG1 3.31Å; L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 PolarHBondContact O-N 2.96Å; T159-C161 PolarHBondContact O-N 3.31Å
160V48.5Very low56.5Low120 Ų12093.7 Ų93.773%0.72756%0.56SS**THydrogen-bonded Turntrans-74.5-14.1174.8-177.80000111.1L157 S158 L162L157-V160 PolarHBondContact O-N 3.49Å; S158-V160 VanDerWaalsContact C-N 3.28Å; S158-V160 PolarHBondContact O-N 3.32Å; V160-L162 PolarHBondContact O-N 2.85Å
161C40.9Very low55.8Low77 Ų7793.7 Ų93.752%0.5256%0.556SS.*  trans-93.366.1175.6-157.40000110.5S158 T159 D163S158-C161 WeakPolarHBondContact O-CB 3.3Å; S158-C161 PolarHBondContact O-N 2.81Å; T159-C161 PolarHBondContact O-N 3.31Å; C161-D163 PolarHBondContact O-N 2.91Å; C161-D163 VanDerWaalsContact O-N 3.17Å
162L43.1Very low55.2Low128 Ų12892.9 Ų92.967%0.6755%0.547SS*.THydrogen-bonded Turntrans-77.411.9-177-118.3150.4000114.4V160V160-L162 PolarHBondContact O-N 2.85Å
163D44.2Very low55Low157 Ų15794.5 Ų94.584%0.8455%0.553SS**THydrogen-bonded Turntrans-98.910.9-174.8-64.8-16.4000113.7C161C161-D163 PolarHBondContact O-N 2.91Å; C161-D163 VanDerWaalsContact O-N 3.17Å
164S45.1Very low55.3Low64 Ų6492.5 Ų92.545%0.44855%0.547SS..  trans-108.586.1177.2-62.20000111.2D166 T167S164-D166 PolarHBondContact O-N 3.48Å; S164-T167 PolarHBondContact O-N 3.25Å; S164-T167 PolarHBondContact O-OG1 3.47Å
165S52.5Low56Low90 Ų9095.5 Ų95.563%0.62955%0.553SS**Hα-helixtrans-40.9-36.5-176.7-172.40000115.3T167 V168S165-T167 VanDerWaalsContact C-N 3.27Å; S165-T167 PolarHBondContact O-N 2.83Å; S165-V168 PolarHBondContact O-N 2.79Å
166D52.5Low56.8Low138 Ų13895.7 Ų95.774%0.73854%0.544SS*.Hα-helixtrans-71.8-19.8-175.2-144.522.5000113.7S164S164-D166 PolarHBondContact O-N 3.48Å
167T54.6Low57.5Low75 Ų7592.5 Ų92.546%0.4653%0.531SS..Hα-helixtrans-85.5-22.2178.764.10000112.9S164 S165 Q170 T171S164-T167 PolarHBondContact O-N 3.25Å; S164-T167 PolarHBondContact O-OG1 3.47Å; S165-T167 VanDerWaalsContact C-N 3.27Å; S165-T167 PolarHBondContact O-N 2.83Å; T167-Q170 PolarHBondContact O-N 2.78Å; T167-T171 WeakPolarHBondContact O-CB 3.41Å; T167-T171 PolarHBondContact O-N 3.26Å; T167-T171 PolarHBondContact O-OG1 2.8Å
168V55Low58.6Low58 Ų5899.2 Ų99.235%0.35255%0.553SS.*Hα-helixtrans-68.2-41.7-176.5-171.30000110.2S165 T171 L172S165-V168 PolarHBondContact O-N 2.79Å; V168-T171 WeakPolarHBondContact CA-OG1 3.37Å; V168-T171 PolarHBondContact O-OG1 3.34Å; V168-T171 VanDerWaalsContact O-OG1 3.07Å; V168-L172 HydrophobicContact CG1-CD1 4.4Å; V168-L172 VanDerWaalsContact O-CB 3.32Å; V168-L172 WeakPolarHBondContact O-CB 3.48Å; V168-L172 PolarHBondContact O-N 3.18Å
169G58.4Low59.5Low48 Ų4899.6 Ų99.650%0.49555%0.548SS..Hα-helixtrans-63-46176.700000112.4L172 H173G169-L172 PolarHBondContact O-N 2.9Å; G169-H173 VanDerWaalsContact O-CB 3.26Å; G169-H173 WeakPolarHBondContact O-CB 3.39Å; G169-H173 PolarHBondContact O-N 2.87Å
170Q61.2Low60.5Low137 Ų137100 Ų10064%0.6455%0.546SS*.Hα-helixtrans-70-37.4179.3-64.3-168.222.900112.6T167 H173 S174T167-Q170 PolarHBondContact O-N 2.78Å; Q170-H173 PolarHBondContact O-N 2.78Å; Q170-S174 VanDerWaalsContact O-CB 3.24Å; Q170-S174 WeakPolarHBondContact O-CB 3.5Å; Q170-S174 PolarHBondContact O-N 3.01Å; Q170-S174 PolarHBondContact O-OG 3.31Å
171T62.6Low61.5Low89 Ų8998.4 Ų98.455%0.54653%0.533SS..Hα-helixtrans-68.6-40.717542.40000111.7T167 V168 S174 K175T167-T171 WeakPolarHBondContact O-CB 3.41Å; T167-T171 PolarHBondContact O-N 3.26Å; T167-T171 PolarHBondContact O-OG1 2.8Å; V168-T171 WeakPolarHBondContact CA-OG1 3.37Å; V168-T171 PolarHBondContact O-OG1 3.34Å; V168-T171 VanDerWaalsContact O-OG1 3.07Å; T171-S174 PolarHBondContact O-N 3.33Å; T171-K175 VanDerWaalsContact O-CB 3.3Å; T171-K175 WeakPolarHBondContact O-CB 3.35Å; T171-K175 PolarHBondContact O-N 3.48Å
172L67.8Low62.9Low97 Ų97102.4 Ų102.451%0.50854%0.544SS..Hα-helixtrans-62.3-48171.8-102.3164.7000111.5V168 G169 S174 K175 I176V168-L172 HydrophobicContact CG1-CD1 4.4Å; V168-L172 VanDerWaalsContact O-CB 3.32Å; V168-L172 WeakPolarHBondContact O-CB 3.48Å; V168-L172 PolarHBondContact O-N 3.18Å; G169-L172 PolarHBondContact O-N 2.9Å; L172-S174 VanDerWaalsContact C-N 3.31Å; L172-S174 PolarHBondContact O-N 3.07Å; L172-K175 PolarHBondContact O-N 2.98Å; L172-K175 VanDerWaalsContact O-N 3.11Å; L172-I176 WeakPolarHBondContact O-CG1 3.07Å; L172-I176 PolarHBondContact O-N 2.86Å
173H70.5Confident63.8Low114 Ų114103.7 Ų103.753%0.52854%0.544SS..Hα-helixtrans-58.6-45.1177.4-177.1-94.7000111G169 Q170 K175 I176 L177G169-H173 VanDerWaalsContact O-CB 3.26Å; G169-H173 WeakPolarHBondContact O-CB 3.39Å; G169-H173 PolarHBondContact O-N 2.87Å; Q170-H173 PolarHBondContact O-N 2.78Å; H173-K175 VanDerWaalsContact C-N 3.3Å; H173-K175 PolarHBondContact O-N 2.97Å; H173-I176 PolarHBondContact O-N 3.27Å; H173-L177 VanDerWaalsContact CE1-CD1 3.44Å; H173-L177 WeakPolarHBondContact CE1-CD1 3.25Å; H173-L177 VanDerWaalsContact O-CB 3.26Å; H173-L177 WeakPolarHBondContact O-CB 3.48Å; H173-L177 PolarHBondContact O-N 3.48Å
174S73.6Confident64.9Low60 Ų60102.8 Ų102.842%0.4253%0.533SS..Hα-helixtrans-64.7-34.2176.7-57.70000112.4Q170 T171 L172 R178Q170-S174 VanDerWaalsContact O-CB 3.24Å; Q170-S174 WeakPolarHBondContact O-CB 3.5Å; Q170-S174 PolarHBondContact O-N 3.01Å; Q170-S174 PolarHBondContact O-OG 3.31Å; T171-S174 PolarHBondContact O-N 3.33Å; L172-S174 VanDerWaalsContact C-N 3.31Å; L172-S174 PolarHBondContact O-N 3.07Å; S174-R178 VanDerWaalsContact O-CB 3.31Å; S174-R178 WeakPolarHBondContact O-CB 3.43Å; S174-R178 PolarHBondContact O-N 3.36Å
175K74.2Confident65.4Low133 Ų133104.7 Ų104.758%0.57854%0.544SS*.Hα-helixtrans-71.6-41.6175.6-167.5175.5-177177.30111.8T171 L172 H173 R178 Q179T171-K175 VanDerWaalsContact O-CB 3.3Å; T171-K175 WeakPolarHBondContact O-CB 3.35Å; T171-K175 PolarHBondContact O-N 3.48Å; L172-K175 PolarHBondContact O-N 2.98Å; L172-K175 VanDerWaalsContact O-N 3.11Å; H173-K175 VanDerWaalsContact C-N 3.3Å; H173-K175 PolarHBondContact O-N 2.97Å; K175-R178 PolarHBondContact O-N 2.99Å; K175-Q179 WeakPolarHBondContact O-CG 3.32Å; K175-Q179 PolarHBondContact O-N 3.13Å
176I74.5Confident65.4Low66 Ų66109.9 Ų109.934%0.33856%0.558SS.*Hα-helixtrans-62.5-47.1173.3-70.3167.4000109.6L172 H173 R178 Q179 I180L172-I176 WeakPolarHBondContact O-CG1 3.07Å; L172-I176 PolarHBondContact O-N 2.86Å; H173-I176 PolarHBondContact O-N 3.27Å; I176-R178 VanDerWaalsContact C-N 3.35Å; I176-R178 PolarHBondContact O-N 3.06Å; I176-Q179 PolarHBondContact O-N 3.28Å; I176-Q179 VanDerWaalsContact O-N 3.15Å; I176-I180 HydrophobicContact CG2-CD1 3.7Å; I176-I180 HydrophobicContact CG2-CG1 4.32Å; I176-I180 WeakPolarHBondContact O-CB 3.43Å; I176-I180 VanDerWaalsContact O-CG1 3.28Å; I176-I180 WeakPolarHBondContact O-CG1 3.31Å; I176-I180 PolarHBondContact O-N 2.92Å
177L75.6Confident65.2Low80 Ų80111.7 Ų111.742%0.41956%0.559SS.*Hα-helixtrans-65.6-39.8-179.5-147.4151.7000111H173 I180 D181H173-L177 VanDerWaalsContact CE1-CD1 3.44Å; H173-L177 WeakPolarHBondContact CE1-CD1 3.25Å; H173-L177 VanDerWaalsContact O-CB 3.26Å; H173-L177 WeakPolarHBondContact O-CB 3.48Å; H173-L177 PolarHBondContact O-N 3.48Å; L177-I180 PolarHBondContact O-N 2.98Å; L177-D181 WeakPolarHBondContact O-CB 3.29Å; L177-D181 PolarHBondContact O-N 2.92Å
178R73.9Confident64.7Low194 Ų194114.7 Ų114.773%0.73258%0.58SS**Hα-helixtrans-59.4-45.3169.1-94.5-170.9179.1124-0.8112.8S174 K175 I176 I180 D181 E182S174-R178 VanDerWaalsContact O-CB 3.31Å; S174-R178 WeakPolarHBondContact O-CB 3.43Å; S174-R178 PolarHBondContact O-N 3.36Å; K175-R178 PolarHBondContact O-N 2.99Å; I176-R178 VanDerWaalsContact C-N 3.35Å; I176-R178 PolarHBondContact O-N 3.06Å; R178-I180 VanDerWaalsContact C-N 3.35Å; R178-D181 PolarHBondContact O-N 3.42Å; R178-E182 WeakPolarHBondContact O-CB 3.29Å; R178-E182 PolarHBondContact O-N 2.84Å
179Q71Confident64.2Low70 Ų70116 Ų11633%0.32760%0.597SS.*Hα-helixtrans-67.4-37.2178.3-79.4-176.2-36.300111.7K175 I176 D181 E182 F183K175-Q179 WeakPolarHBondContact O-CG 3.32Å; K175-Q179 PolarHBondContact O-N 3.13Å; I176-Q179 PolarHBondContact O-N 3.28Å; I176-Q179 VanDerWaalsContact O-N 3.15Å; Q179-D181 VanDerWaalsContact C-N 3.34Å; Q179-E182 PolarHBondContact O-N 2.9Å; Q179-F183 WeakPolarHBondContact O-CB 3.33Å; Q179-F183 VanDerWaalsContact O-CD2 3.26Å; Q179-F183 WeakPolarHBondContact O-CD2 3.27Å; Q179-F183 PolarHBondContact O-N 3.25Å
180I70Confident63.5Low106 Ų106119.4 Ų119.454%0.54461%0.613SS.*Hα-helixtrans-62.8-43.5172.7-69.4168.1000110.3I176 L177 R178 F183 K184I176-I180 HydrophobicContact CG2-CD1 3.7Å; I176-I180 HydrophobicContact CG2-CG1 4.32Å; I176-I180 WeakPolarHBondContact O-CB 3.43Å; I176-I180 VanDerWaalsContact O-CG1 3.28Å; I176-I180 WeakPolarHBondContact O-CG1 3.31Å; I176-I180 PolarHBondContact O-N 2.92Å; L177-I180 PolarHBondContact O-N 2.98Å; R178-I180 VanDerWaalsContact C-N 3.35Å; I180-F183 CarbonylContact O-C 3.59Å; I180-F183 PolarHBondContact O-N 3.5Å; I180-K184 WeakPolarHBondContact O-CB 3.4Å; I180-K184 PolarHBondContact O-N 3.43Å
181D69.8Low62.7Low86 Ų86124.6 Ų124.646%0.4663%0.627SS.*Hα-helixtrans-67.7-35.4176-93.6-19.2000112.2L177 R178 Q179 F183 K184L177-D181 WeakPolarHBondContact O-CB 3.29Å; L177-D181 PolarHBondContact O-N 2.92Å; R178-D181 PolarHBondContact O-N 3.42Å; Q179-D181 VanDerWaalsContact C-N 3.34Å; D181-F183 VanDerWaalsContact C-N 3.33Å; D181-K184 VanDerWaalsContact O-CB 3.3Å; D181-K184 WeakPolarHBondContact O-CB 3.23Å; D181-K184 PolarHBondContact O-N 3.34Å; D181-K184 IonicContact OD1-NZ 3.9Å
182E70Confident61.6Low161 Ų161125 Ų12575%0.75263%0.634SS**Hα-helixtrans-67-35.7174.5-170.3173.3-168.500111.7R178 Q179 K184R178-E182 WeakPolarHBondContact O-CB 3.29Å; R178-E182 PolarHBondContact O-N 2.84Å; Q179-E182 PolarHBondContact O-N 2.9Å; E182-K184 VanDerWaalsContact C-N 3.35Å
183F63.5Low60.7Low154 Ų154125.7 Ų125.768%0.67564%0.644SS**Hα-helixtrans-83.9-6.7172.7-82.2-72000113.9Q179 I180 D181 P185Q179-F183 WeakPolarHBondContact O-CB 3.33Å; Q179-F183 VanDerWaalsContact O-CD2 3.26Å; Q179-F183 WeakPolarHBondContact O-CD2 3.27Å; Q179-F183 PolarHBondContact O-N 3.25Å; I180-F183 CarbonylContact O-C 3.59Å; I180-F183 PolarHBondContact O-N 3.5Å; D181-F183 VanDerWaalsContact C-N 3.33Å; F183-P185 WeakPolarHBondContact O-CD 3.45Å
184K66.9Low59.6Low139 Ų139127.4 Ų127.460%0.60466%0.657SS**SBendtrans-74.1106.7176.1-174.2178.8177.3-176.60107.2I180 D181 E182 E186I180-K184 WeakPolarHBondContact O-CB 3.4Å; I180-K184 PolarHBondContact O-N 3.43Å; D181-K184 VanDerWaalsContact O-CB 3.3Å; D181-K184 WeakPolarHBondContact O-CB 3.23Å; D181-K184 PolarHBondContact O-N 3.34Å; D181-K184 IonicContact OD1-NZ 3.9Å; E182-K184 VanDerWaalsContact C-N 3.35Å; K184-E186 PolarHBondContact O-N 3.06Å
185P55.7Low58.1Low104 Ų104133.1 Ų133.168%0.67567%0.674SS**  trans-64.2128.2-174.527-33000109.7F183 K187F183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-K187 PolarHBondContact O-N 2.92Å
186E53.2Low57Low198 Ų198131.7 Ų131.793%0.92568%0.681SS**SBendtrans-65.3-4.3-175.5-77.7-158.8146.500115K184K184-E186 PolarHBondContact O-N 3.06Å
187K48Very low56.1Low177 Ų177136 Ų13677%0.7771%0.705SS**  trans-136.8121.9173.6-92.2175.4178.5169.50112.1P185 A189P185-K187 PolarHBondContact O-N 2.92Å; K187-A189 VanDerWaalsContact C-N 3.26Å; K187-A189 PolarHBondContact O-N 3.46Å
188P44.1Very low55Low137 Ų137139.5 Ų139.589%0.8972%0.719SS**  trans-84.268.9174.736-32.8000109.2
189A43.5Very low54.2Low85 Ų85136.1 Ų136.170%0.70271%0.714SS**  trans-151.5119.4172.200000110.7K187K187-A189 VanDerWaalsContact C-N 3.26Å; K187-A189 PolarHBondContact O-N 3.46Å
190S45Very low53.7Low121 Ų121138.7 Ų138.785%0.84673%0.729SS**  trans87.860.3179-146.50000116.4S192S190-S192 PolarHBondContact O-N 3.38Å
191R43.4Very low53.3Low246 Ų246140.4 Ų140.493%0.92873%0.729SS**  trans-63.8112.5148-85.1177.6170.8168.5-3108.2
192S38.9Very low53.1Low98 Ų98142.3 Ų142.369%0.68574%0.736SS**  trans-86125.5146.258.70000106.8S190 N194S190-S192 PolarHBondContact O-N 3.38Å; S192-N194 PolarHBondContact O-N 2.98Å; S192-N194 VanDerWaalsContact O-N 3.14Å
193P49.3Very low52.8Low111 Ų111141.7 Ų141.772%0.72174%0.736SS**THydrogen-bonded Turntrans-77.31.3-165.330.2-34.2000114.3
194N47.2Very low52.9Low150 Ų150143 Ų14380%0.80274%0.738SS**THydrogen-bonded Turntrans-100.79-166.5-77.75.4000116.1S192S192-N194 PolarHBondContact O-N 2.98Å; S192-N194 VanDerWaalsContact O-N 3.14Å
195K43.1Very low52.5Low180 Ų180141.1 Ų141.178%0.78373%0.734SS**  trans-13767.1167-77-175.5178.9177.80109.9N197K195-N197 PolarHBondContact O-N 2.85Å
196S51.4Low52.7Low103 Ų103145.3 Ų145.372%0.7274%0.737SS**  trans-67.590.9161.656.70000107.5H198S196-H198 PolarHBondContact O-N 3.06Å
197N53.8Low53.1Low156 Ų156142.6 Ų142.683%0.83472%0.722SS**  trans-62.984.4163-83.55000106.9K195 L199K195-N197 PolarHBondContact O-N 2.85Å; N197-L199 PolarHBondContact O-N 2.89Å
198H54Low54.1Low154 Ų154137.4 Ų137.471%0.71371%0.708SS**  trans-74.4104.5178.2-171.673.8000107.1S196 I200S196-H198 PolarHBondContact O-N 3.06Å; H198-I200 PolarHBondContact O-N 3.41Å; H198-I200 VanDerWaalsContact O-N 3.17Å
199L57Low55.4Low123 Ų123133.7 Ų133.764%0.64469%0.685SS**  trans-72.8103.3174.4-178.667.9000108.1N197 Y201N197-L199 PolarHBondContact O-N 2.89Å; L199-Y201 HydrophobicContact CD2-CD2 4.11Å; L199-Y201 HydrophobicContact CD2-CE2 4.36Å; L199-Y201 HydrophobicContact CG-CD2 4.23Å; L199-Y201 PolarHBondContact O-N 3.4Å
200I60.1Low56.9Low123 Ų123133.7 Ų133.763%0.63167%0.672SS**  trans-80.9115.6172.9-58.8172.3000107H198 E202H198-I200 PolarHBondContact O-N 3.41Å; H198-I200 VanDerWaalsContact O-N 3.17Å; I200-E202 HydrophobicContact CG2-CG 4.33Å
201Y61Low58.6Low142 Ų142134.4 Ų134.456%0.55766%0.662SS**  trans-101.3111.5172.9-128-89000108.9L199 I203L199-Y201 HydrophobicContact CD2-CD2 4.11Å; L199-Y201 HydrophobicContact CD2-CE2 4.36Å; L199-Y201 HydrophobicContact CG-CD2 4.23Å; L199-Y201 PolarHBondContact O-N 3.4Å; Y201-I203 HydrophobicContact CD1-CG1 4.48Å
202E65.5Low60.3Low127 Ų127128 Ų12859%0.59364%0.643SS**  trans-90.3109.7171.4-69.5-179.9176.200108.9I200 Y204I200-E202 HydrophobicContact CG2-CG 4.33Å; E202-Y204 HydrophobicContact CB-CE2 3.87Å; E202-Y204 PolarHBondContact OE2-OH 2.9Å
203I64.5Low62.4Low148 Ų148124.7 Ų124.776%0.75962%0.62SS**  trans-89.1109.3175.3-57.5173.4000107.2Y201 D205Y201-I203 HydrophobicContact CD1-CG1 4.48Å; I203-D205 PolarHBondContact O-N 3.15Å
204Y65.1Low64.1Low180 Ų180122.9 Ų122.971%0.70660%0.604SS**  trans-80.3106.7174.5-69.3-90.1000109.4E202 R206E202-Y204 HydrophobicContact CB-CE2 3.87Å; E202-Y204 PolarHBondContact OE2-OH 2.9Å; Y204-R206 PolarHBondContact O-N 2.97Å; Y204-R206 VanDerWaalsContact O-N 3.11Å
205D58.2Low66Low100 Ų100118.7 Ų118.754%0.53559%0.59SS.*  trans-66106.5172.5-179.419000109.8I203 K207I203-D205 PolarHBondContact O-N 3.15Å; D205-K207 PolarHBondContact O-N 3.08Å
206R60.4Low68.2Low192 Ų192116.4 Ų116.473%0.72558%0.582SS**  trans-75.981.1169.4-66.7-177179-176.7-0.3107.4Y204 S208 S209Y204-R206 PolarHBondContact O-N 2.97Å; Y204-R206 VanDerWaalsContact O-N 3.11Å; R206-S208 PolarHBondContact O-N 2.82Å; R206-S209 WeakPolarHBondContact O-CB 3.36Å; R206-S209 PolarHBondContact O-N 3.03Å
207K61.4Low70.1Confident142 Ų142117.3 Ų117.362%0.61757%0.573SS**Hα-helixtrans-48.2-29.8172.9-65.2-170.7-178.6-175.20112.8D205 S209 I210 Q211D205-K207 PolarHBondContact O-N 3.08Å; K207-S209 VanDerWaalsContact C-N 3.34Å; K207-S209 PolarHBondContact O-N 2.71Å; K207-I210 PolarHBondContact O-N 3.32Å; K207-Q211 WeakPolarHBondContact O-CB 3.27Å; K207-Q211 VanDerWaalsContact O-CG 3.3Å; K207-Q211 WeakPolarHBondContact O-CG 3.45Å; K207-Q211 PolarHBondContact O-N 3.19Å
208S68.7Low72.1Confident67 Ų67114.7 Ų114.747%0.46956%0.563SS.*Hα-helixtrans-56.7-41.7172.7-1700000113.1R206 Q211 Q212R206-S208 PolarHBondContact O-N 2.82Å; S208-Q211 PolarHBondContact O-N 2.74Å; S208-Q212 VanDerWaalsContact O-CB 3.32Å; S208-Q212 WeakPolarHBondContact O-CB 3.26Å; S208-Q212 VanDerWaalsContact O-CG 3.22Å; S208-Q212 WeakPolarHBondContact O-CG 3.45Å; S208-Q212 PolarHBondContact O-N 2.94Å
209S72.5Confident73.9Confident59 Ų59109.3 Ų109.341%0.41355%0.545SS..Hα-helixtrans-71.2-37.4-179.3-63.10000112.2R206 K207 Q212 S213R206-S209 WeakPolarHBondContact O-CB 3.36Å; R206-S209 PolarHBondContact O-N 3.03Å; K207-S209 VanDerWaalsContact C-N 3.34Å; K207-S209 PolarHBondContact O-N 2.71Å; S209-Q212 PolarHBondContact O-N 2.69Å; S209-S213 WeakPolarHBondContact O-CB 3.43Å; S209-S213 PolarHBondContact O-N 3.15Å
210I75.2Confident75.7Confident86 Ų86107.4 Ų107.444%0.44154%0.536SS..Hα-helixtrans-67.2-46.3174.7-62.4169.5000109.8K207 Q212 S213 D214K207-I210 PolarHBondContact O-N 3.32Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 3.04Å; I210-S213 PolarHBondContact O-N 3.09Å; I210-S213 VanDerWaalsContact O-N 3.12Å; I210-S213 PolarHBondContact O-OG 3.41Å; I210-D214 PolarHBondContact O-N 2.89Å
211Q79.7Confident77.4Confident135 Ų135104.9 Ų104.963%0.63153%0.525SS*.Hα-helixtrans-60.6-38.7176.1-72.9174.3-1.500112.4K207 S208 D214 A215K207-Q211 WeakPolarHBondContact O-CB 3.27Å; K207-Q211 VanDerWaalsContact O-CG 3.3Å; K207-Q211 WeakPolarHBondContact O-CG 3.45Å; K207-Q211 PolarHBondContact O-N 3.19Å; S208-Q211 PolarHBondContact O-N 2.74Å; Q211-D214 PolarHBondContact O-N 3.46Å; Q211-A215 VanDerWaalsContact O-CB 3.26Å; Q211-A215 WeakPolarHBondContact O-CB 3.32Å; Q211-A215 PolarHBondContact O-N 2.99Å
212Q79.9Confident79.1Confident112 Ų112103 Ų10352%0.52353%0.525SS..Hα-helixtrans-64.4-44.7172.8-78.8170.9-11.600111.4S208 S209 I210 D214 A215 E216S208-Q212 VanDerWaalsContact O-CB 3.32Å; S208-Q212 WeakPolarHBondContact O-CB 3.26Å; S208-Q212 VanDerWaalsContact O-CG 3.22Å; S208-Q212 WeakPolarHBondContact O-CG 3.45Å; S208-Q212 PolarHBondContact O-N 2.94Å; S209-Q212 PolarHBondContact O-N 2.69Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 3.04Å; Q212-D214 VanDerWaalsContact C-N 3.29Å; Q212-D214 PolarHBondContact O-N 2.9Å; Q212-A215 PolarHBondContact O-N 2.9Å; Q212-E216 WeakPolarHBondContact O-CB 3.35Å; Q212-E216 WeakPolarHBondContact O-CG 3.41Å; Q212-E216 PolarHBondContact O-N 3.4Å
213S82.5Confident80.4Confident29 Ų29105.1 Ų105.120%0.20353%0.528CS..Hα-helixtrans-63.4-34.9177.577.90000112.7S209 I210 K217S209-S213 WeakPolarHBondContact O-CB 3.43Å; S209-S213 PolarHBondContact O-N 3.15Å; I210-S213 PolarHBondContact O-N 3.09Å; I210-S213 VanDerWaalsContact O-N 3.12Å; I210-S213 PolarHBondContact O-OG 3.41Å; S213-K217 VanDerWaalsContact O-CG 3.29Å; S213-K217 WeakPolarHBondContact O-CG 3.31Å; S213-K217 PolarHBondContact O-N 2.9Å; S213-K217 VanDerWaalsContact O-N 3.1Å
214D84.8Confident81.8Confident73 Ų73104.7 Ų104.739%0.3952%0.516SS..Hα-helixtrans-76.3-37.1176.1-70.4-21.3000111.3I210 Q211 Q212 E216 K217 V218I210-D214 PolarHBondContact O-N 2.89Å; Q211-D214 PolarHBondContact O-N 3.46Å; Q212-D214 VanDerWaalsContact C-N 3.29Å; Q212-D214 PolarHBondContact O-N 2.9Å; D214-E216 VanDerWaalsContact C-N 3.31Å; D214-E216 PolarHBondContact O-N 3.36Å; D214-K217 PolarHBondContact O-N 3.49Å; D214-K217 IonicContact OD1-NZ 3.37Å; D214-K217 PolarHBondContact OD1-NZ 3.21Å; D214-V218 VanDerWaalsContact O-CG2 3.29Å; D214-V218 WeakPolarHBondContact O-CG2 3.43Å; D214-V218 PolarHBondContact O-N 2.94Å
215A88Confident83.1Confident62 Ų6299.7 Ų99.751%0.51250%0.501SS..Hα-helixtrans-62.5-37.4171.800000112.1Q211 Q212 V218 A219Q211-A215 VanDerWaalsContact O-CB 3.26Å; Q211-A215 WeakPolarHBondContact O-CB 3.32Å; Q211-A215 PolarHBondContact O-N 2.99Å; Q212-A215 PolarHBondContact O-N 2.9Å; A215-V218 PolarHBondContact O-N 3.37Å; A215-A219 WeakPolarHBondContact O-CB 3.46Å; A215-A219 PolarHBondContact O-N 2.85Å
216E89Confident84.6Confident131 Ų131100.8 Ų100.861%0.61250%0.503SS*.Hα-helixtrans-66.6-43.1174.1-76.3172.6-172.500112.1Q212 D214 V218 A219 D220Q212-E216 WeakPolarHBondContact O-CB 3.35Å; Q212-E216 WeakPolarHBondContact O-CG 3.41Å; Q212-E216 PolarHBondContact O-N 3.4Å; D214-E216 VanDerWaalsContact C-N 3.31Å; D214-E216 PolarHBondContact O-N 3.36Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.08Å; E216-A219 PolarHBondContact O-N 3.2Å; E216-D220 PolarHBondContact O-N 3.13Å
217K91.2Very high86.1Confident123 Ų12399.5 Ų99.554%0.53550%0.498SS..Hα-helixtrans-61.7-42.1173.5-70168.1-161.3156.20111.7S213 D214 A219 D220 V221S213-K217 VanDerWaalsContact O-CG 3.29Å; S213-K217 WeakPolarHBondContact O-CG 3.31Å; S213-K217 PolarHBondContact O-N 2.9Å; S213-K217 VanDerWaalsContact O-N 3.1Å; D214-K217 PolarHBondContact O-N 3.49Å; D214-K217 IonicContact OD1-NZ 3.37Å; D214-K217 PolarHBondContact OD1-NZ 3.21Å; K217-A219 VanDerWaalsContact C-N 3.34Å; K217-D220 PolarHBondContact O-N 3.37Å; K217-V221 WeakPolarHBondContact O-CG2 3.42Å; K217-V221 PolarHBondContact O-N 2.87Å
218V94.7Very high87.3Confident101 Ų10197.3 Ų97.361%0.61249%0.492SS*.Hα-helixtrans-64.2-41.1175.8171.80000110.5D214 A215 E216 D220 V221 D222D214-V218 VanDerWaalsContact O-CG2 3.29Å; D214-V218 WeakPolarHBondContact O-CG2 3.43Å; D214-V218 PolarHBondContact O-N 2.94Å; A215-V218 PolarHBondContact O-N 3.37Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.08Å; V218-D220 PolarHBondContact O-N 3.25Å; V218-V221 PolarHBondContact O-N 3.18Å; V218-D222 WeakPolarHBondContact O-CB 3.13Å; V218-D222 PolarHBondContact O-N 3.4Å
219A93.2Very high88.1Confident41 Ų4199.5 Ų99.534%0.33950%0.495SS..Hα-helixtrans-65.9-34.5175.200000112.8A215 E216 K217 D222 R223A215-A219 WeakPolarHBondContact O-CB 3.46Å; A215-A219 PolarHBondContact O-N 2.85Å; E216-A219 PolarHBondContact O-N 3.2Å; K217-A219 VanDerWaalsContact C-N 3.34Å; A219-D222 PolarHBondContact O-N 2.91Å; A219-R223 WeakPolarHBondContact O-CB 3.18Å; A219-R223 VanDerWaalsContact O-CG 3.23Å; A219-R223 WeakPolarHBondContact O-CG 3.39Å; A219-R223 PolarHBondContact O-N 3.27Å
220D94.7Very high88.6Confident83 Ų83100.3 Ų100.344%0.44451%0.505SS..Hα-helixtrans-67.9-42.8172.9-173.662.6000111.7E216 K217 V218 D222 R223 R224E216-D220 PolarHBondContact O-N 3.13Å; K217-D220 PolarHBondContact O-N 3.37Å; V218-D220 PolarHBondContact O-N 3.25Å; D220-D222 VanDerWaalsContact C-N 3.33Å; D220-D222 PolarHBondContact O-N 3.27Å; D220-R223 PolarHBondContact O-N 2.78Å; D220-R224 WeakPolarHBondContact O-CB 3.16Å; D220-R224 VanDerWaalsContact O-CG 3.26Å; D220-R224 WeakPolarHBondContact O-CG 3.47Å; D220-R224 PolarHBondContact O-N 2.85Å
221V96.2Very high89Confident69 Ų69103 Ų10342%0.41852%0.52SS..Hα-helixtrans-61.4-42.3173171.50000110.9K217 V218 R224 I225K217-V221 WeakPolarHBondContact O-CG2 3.42Å; K217-V221 PolarHBondContact O-N 2.87Å; V218-V221 PolarHBondContact O-N 3.18Å; V221-R224 CarbonylContact O-C 3.59Å; V221-R224 WeakPolarHBondContact O-CB 3.3Å; V221-R224 PolarHBondContact O-N 3.37Å; V221-I225 HydrophobicContact CG1-CD1 3.78Å; V221-I225 HydrophobicContact CG1-CG1 4.32Å; V221-I225 VanDerWaalsContact O-CG1 3.32Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 3.41Å
222D96Very high88.7Confident102 Ų102102 Ų10255%0.54552%0.517SS..Hα-helixtrans-62.8-44.7176.3-169.554.7000111.6V218 A219 D220 R224 I225 H226V218-D222 WeakPolarHBondContact O-CB 3.13Å; V218-D222 PolarHBondContact O-N 3.4Å; A219-D222 PolarHBondContact O-N 2.91Å; D220-D222 VanDerWaalsContact C-N 3.33Å; D220-D222 PolarHBondContact O-N 3.27Å; D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 2.91Å; D222-I225 PolarHBondContact O-N 2.78Å; D222-H226 VanDerWaalsContact O-CB 3.27Å; D222-H226 WeakPolarHBondContact O-CB 3.24Å; D222-H226 PolarHBondContact O-N 3.27Å
223R93.4Very high88.3Confident173 Ų17398.3 Ų98.365%0.65351%0.51SS*.Hα-helixtrans-60-37.7172.4-74.2169.8-177.8174.72.6112.4A219 D220 R227A219-R223 WeakPolarHBondContact O-CB 3.18Å; A219-R223 VanDerWaalsContact O-CG 3.23Å; A219-R223 WeakPolarHBondContact O-CG 3.39Å; A219-R223 PolarHBondContact O-N 3.27Å; D220-R223 PolarHBondContact O-N 2.78Å; R223-R227 WeakPolarHBondContact O-CB 3.08Å; R223-R227 PolarHBondContact O-N 2.89Å
224R93.8Very high87.7Confident138 Ų138105.5 Ų105.552%0.52154%0.54SS..Hα-helixtrans-70.1-43.4176.9-74.1171.159.6-162.2-3.6111.7D220 V221 D222 H226 R227 I228D220-R224 WeakPolarHBondContact O-CB 3.16Å; D220-R224 VanDerWaalsContact O-CG 3.26Å; D220-R224 WeakPolarHBondContact O-CG 3.47Å; D220-R224 PolarHBondContact O-N 2.85Å; V221-R224 CarbonylContact O-C 3.59Å; V221-R224 WeakPolarHBondContact O-CB 3.3Å; V221-R224 PolarHBondContact O-N 3.37Å; D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 2.91Å; R224-H226 VanDerWaalsContact C-N 3.34Å; R224-R227 PolarHBondContact O-N 2.76Å; R224-I228 WeakPolarHBondContact O-CG1 3.43Å; R224-I228 PolarHBondContact O-N 2.72Å
225I92.4Very high86.6Confident75 Ų75106.8 Ų106.839%0.38555%0.552SS.*Hα-helixtrans-60.7-47.9173.9-70.9168.8000109.2V221 D222 R227 I228 E229V221-I225 HydrophobicContact CG1-CD1 3.78Å; V221-I225 HydrophobicContact CG1-CG1 4.32Å; V221-I225 VanDerWaalsContact O-CG1 3.32Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 3.41Å; D222-I225 PolarHBondContact O-N 2.78Å; I225-R227 VanDerWaalsContact C-N 3.27Å; I225-R227 PolarHBondContact O-N 3.3Å; I225-I228 CarbonylContact O-C 3.6Å; I225-I228 WeakPolarHBondContact O-CA 3.48Å; I225-I228 WeakPolarHBondContact O-CB 3.49Å; I225-I228 PolarHBondContact O-N 2.87Å; I225-E229 HydrophobicContact CG2-CG 4.17Å; I225-E229 WeakPolarHBondContact O-CG 3.45Å; I225-E229 PolarHBondContact O-N 3.39Å
226H89.9Confident85.3Confident123 Ų123107.6 Ų107.657%0.56955%0.548SS*.Hα-helixtrans-59.5-37.8178.3-161.968.1000112.6D222 R224 E229 A230D222-H226 VanDerWaalsContact O-CB 3.27Å; D222-H226 WeakPolarHBondContact O-CB 3.24Å; D222-H226 PolarHBondContact O-N 3.27Å; R224-H226 VanDerWaalsContact C-N 3.34Å; H226-E229 IonicContact ND1-OE2 2.99Å; H226-E229 PolarHBondContact O-N 3.06Å; H226-A230 VanDerWaalsContact O-CB 3.31Å; H226-A230 WeakPolarHBondContact O-CB 3.28Å; H226-A230 PolarHBondContact O-N 3.19Å
227R90.8Very high84.1Confident166 Ų166105.3 Ų105.363%0.62655%0.545SS*.Hα-helixtrans-64.8-41.2172.7-170.4-176.7-61.4153.33112R223 R224 I225 A230 L231R223-R227 WeakPolarHBondContact O-CB 3.08Å; R223-R227 PolarHBondContact O-N 2.89Å; R224-R227 PolarHBondContact O-N 2.76Å; I225-R227 VanDerWaalsContact C-N 3.27Å; I225-R227 PolarHBondContact O-N 3.3Å; R227-A230 PolarHBondContact O-N 3.1Å; R227-L231 HydrophobicContact CG-CD1 4.45Å; R227-L231 VanDerWaalsContact O-CG 3.3Å; R227-L231 WeakPolarHBondContact O-CG 3.43Å; R227-L231 PolarHBondContact O-N 2.78Å
228I86.9Confident82.8Confident95 Ų95106.4 Ų106.449%0.48756%0.556SS.*Hα-helixtrans-66.5-41.3176.5-68.3166.5000110.3R224 I225 L231 I232R224-I228 WeakPolarHBondContact O-CG1 3.43Å; R224-I228 PolarHBondContact O-N 2.72Å; I225-I228 CarbonylContact O-C 3.6Å; I225-I228 WeakPolarHBondContact O-CA 3.48Å; I225-I228 WeakPolarHBondContact O-CB 3.49Å; I225-I228 PolarHBondContact O-N 2.87Å; I228-L231 PolarHBondContact O-N 2.54Å; I228-I232 HydrophobicContact CG2-CD1 3.52Å; I228-I232 HydrophobicContact CG2-CG1 4.31Å; I228-I232 WeakPolarHBondContact O-CB 3.35Å; I228-I232 VanDerWaalsContact O-CG1 3.26Å; I228-I232 WeakPolarHBondContact O-CG1 3.23Å; I228-I232 PolarHBondContact O-N 2.86Å
229E84.6Confident81.3Confident114 Ų114109.7 Ų109.753%0.53356%0.562SS.*Hα-helixtrans-64-40.9175-71.6177.7164.400112.1I225 H226 L231 G233I225-E229 HydrophobicContact CG2-CG 4.17Å; I225-E229 WeakPolarHBondContact O-CG 3.45Å; I225-E229 PolarHBondContact O-N 3.39Å; H226-E229 IonicContact ND1-OE2 2.99Å; H226-E229 PolarHBondContact O-N 3.06Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 2.77Å; E229-G233 WeakPolarHBondContact O-CA 3.41Å; E229-G233 PolarHBondContact O-N 3.33Å
230A83.4Confident79.6Confident76 Ų76111.1 Ų111.163%0.62856%0.564SS**Hα-helixtrans-65.1-37.3176.200000112.4H226 R227H226-A230 VanDerWaalsContact O-CB 3.31Å; H226-A230 WeakPolarHBondContact O-CB 3.28Å; H226-A230 PolarHBondContact O-N 3.19Å; R227-A230 PolarHBondContact O-N 3.1Å
231L82.9Confident78.2Confident143 Ų143110.9 Ų110.975%0.74957%0.566SS**Hα-helixtrans-73.2-41.2177.2-72.7170.9000112.8R227 I228 E229 G233R227-L231 HydrophobicContact CG-CD1 4.45Å; R227-L231 VanDerWaalsContact O-CG 3.3Å; R227-L231 WeakPolarHBondContact O-CG 3.43Å; R227-L231 PolarHBondContact O-N 2.78Å; I228-L231 PolarHBondContact O-N 2.54Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 2.77Å; L231-G233 VanDerWaalsContact C-N 3.32Å
232I75.2Confident76.7Confident113 Ų113112.3 Ų112.358%0.57958%0.584SS**Hα-helixtrans-73.6-30.4178.8-66.5172.1000110.7I228I228-I232 HydrophobicContact CG2-CD1 3.52Å; I228-I232 HydrophobicContact CG2-CG1 4.31Å; I228-I232 WeakPolarHBondContact O-CB 3.35Å; I228-I232 VanDerWaalsContact O-CG1 3.26Å; I228-I232 WeakPolarHBondContact O-CG1 3.23Å; I228-I232 PolarHBondContact O-N 2.86Å
233G71.1Confident75Confident35 Ų35112 Ų11236%0.36158%0.582SS.*  trans74.9158.1-173.700000112.2E229 L231E229-G233 WeakPolarHBondContact O-CA 3.41Å; E229-G233 PolarHBondContact O-N 3.33Å; L231-G233 VanDerWaalsContact C-N 3.32Å
234Q68.6Low73.6Confident180 Ų180105.1 Ų105.184%0.84156%0.56SS**  trans-75.6135167.2-66.5-170.522.200108.7D236Q234-D236 PolarHBondContact O-N 2.87Å
235P62.1Low72.3Confident99 Ų99101 Ų10164%0.64356%0.555SS**  trans-62.7100.8172.2-1729.2000108.8P237P235-P237 WeakPolarHBondContact O-CD 3.1Å; P235-P237 VanDerWaalsContact O-N 3.16Å
236D62Low71Confident80 Ų80100.6 Ų100.643%0.42855%0.554SS.*  trans-68.2106.4166.8-93.4-13.3000107Q234 N238 K239Q234-D236 PolarHBondContact O-N 2.87Å; D236-N238 PolarHBondContact O-N 3.08Å; D236-N238 VanDerWaalsContact O-N 3.08Å; D236-K239 HydrophobicContact CB-CB 4.43Å; D236-K239 IonicContact OD2-NZ 3.25Å
237P62.6Low69.8Low83 Ų8397 Ų9754%0.53954%0.54SS..THydrogen-bonded Turntrans-64.9-21-17427.7-35.1000111.8P235 T241P235-P237 WeakPolarHBondContact O-CD 3.1Å; P235-P237 VanDerWaalsContact O-N 3.16Å; P237-T241 WeakPolarHBondContact O-CB 3.44Å; P237-T241 PolarHBondContact O-OG1 2.9Å
238N64.5Low68.6Low146 Ų14692.3 Ų92.378%0.78153%0.53SS*.THydrogen-bonded Turntrans-91.1-35.3-171.5-62.8-16.3000113.9D236D236-N238 PolarHBondContact O-N 3.08Å; D236-N238 VanDerWaalsContact O-N 3.08Å
239K62.3Low67.7Low169 Ų16993 Ų9374%0.73554%0.539SS*.THydrogen-bonded Turntrans-85.2-26.9-173-70.6-179.6-176.7165.20112.9D236D236-K239 HydrophobicContact CB-CB 4.43Å; D236-K239 IonicContact OD2-NZ 3.25Å
240L58.8Low66.9Low72 Ų7290 Ų9038%0.37753%0.525SS..SBendtrans-121.35.1-169.5-64.1175.7000113.7A242 L243 T244L240-A242 PolarHBondContact O-N 3.28Å; L240-L243 HydrophobicContact CD2-CD1 4.32Å; L240-L243 CarbonylContact O-C 3.59Å; L240-L243 WeakPolarHBondContact O-CA 3.34Å; L240-L243 PolarHBondContact O-N 3.25Å; L240-T244 VanDerWaalsContact C-OG1 3.23Å; L240-T244 HydrophobicContact CB-CG2 3.67Å; L240-T244 HydrophobicContact CD1-CG2 4.4Å; L240-T244 PolarHBondContact O-N 3.24Å; L240-T244 PolarHBondContact O-OG1 3.24Å
241T64.7Low66.5Low78 Ų7888.8 Ų88.848%0.47952%0.52SS..Hα-helixtrans-48.2-41.2-173-23.50000113P237 L243 A245P237-T241 WeakPolarHBondContact O-CB 3.44Å; P237-T241 PolarHBondContact O-OG1 2.9Å; T241-L243 VanDerWaalsContact C-N 3.35Å; T241-L243 PolarHBondContact O-N 2.88Å; T241-A245 WeakPolarHBondContact O-CA 3.38Å; T241-A245 WeakPolarHBondContact O-CB 3.44Å; T241-A245 PolarHBondContact O-N 3.36Å
242A64.3Low66.1Low98 Ų9888.5 Ų88.581%0.8152%0.518SS*.Hα-helixtrans-66.3-35.6-179.700000113.2L240L240-A242 PolarHBondContact O-N 3.28Å
243L60.1Low66.4Low97 Ų9790.3 Ų90.351%0.50853%0.528SS..Hα-helixtrans-86.4-31.7178.5-63.4178.2000112L240 T241L240-L243 HydrophobicContact CD2-CD1 4.32Å; L240-L243 CarbonylContact O-C 3.59Å; L240-L243 WeakPolarHBondContact O-CA 3.34Å; L240-L243 PolarHBondContact O-N 3.25Å; T241-L243 VanDerWaalsContact C-N 3.35Å; T241-L243 PolarHBondContact O-N 2.88Å
244T64.2Low66.9Low28 Ų2892.2 Ų92.217%0.17253%0.528CS..Hα-helixtrans-102.4-7.4-172.860.50000113.7L240 D246 T247 T248L240-T244 VanDerWaalsContact C-OG1 3.23Å; L240-T244 HydrophobicContact CB-CG2 3.67Å; L240-T244 HydrophobicContact CD1-CG2 4.4Å; L240-T244 PolarHBondContact O-N 3.24Å; L240-T244 PolarHBondContact O-OG1 3.24Å; T244-D246 PolarHBondContact O-N 3.06Å; T244-T247 WeakPolarHBondContact CA-OG1 3.47Å; T244-T247 CarbonylContact O-C 3.58Å; T244-T247 PolarHBondContact O-N 2.61Å; T244-T247 PolarHBondContact O-OG1 2.6Å; T244-T248 WeakPolarHBondContact O-CB 3.48Å; T244-T248 WeakPolarHBondContact O-CG2 3.39Å; T244-T248 PolarHBondContact O-N 3Å; T244-T248 PolarHBondContact O-OG1 3.45Å; T244-T248 VanDerWaalsContact O-OG1 3.1Å; T244-T248 VanDerWaalsContact OG1-CG2 3.32Å; T244-T248 WeakPolarHBondContact OG1-CG2 3.31Å
245A66.5Low67.4Low51 Ų5184.5 Ų84.542%0.42150%0.495SS..THydrogen-bonded Turntrans-51.7-36.7178.800000112.8T241T241-A245 WeakPolarHBondContact O-CA 3.38Å; T241-A245 WeakPolarHBondContact O-CB 3.44Å; T241-A245 PolarHBondContact O-N 3.36Å
246D64.5Low68.4Low67 Ų6783.5 Ų83.536%0.35849%0.489SS..THydrogen-bonded Turntrans-85.7-6.9179.3-81.912.8000114.2T244 H250 R258 R262T244-D246 PolarHBondContact O-N 3.06Å; D246-H250 PolarHBondContact O-CD2 3.25Å; D246-R258 WeakPolarHBondContact O-CD 3.29Å; D246-R262 IonicContact OD2-CZ 3.61Å; D246-R262 IonicContact OD2-NH2 2.61Å; D246-R262 PolarHBondContact OD2-NH2 3.36Å
247T66.3Low69.5Low46 Ų4682.6 Ų82.628%0.28249%0.489SS..THydrogen-bonded Turntrans-123.9-21.2-176.7610000114.1T244 T249 H250 A255T244-T247 WeakPolarHBondContact CA-OG1 3.47Å; T244-T247 CarbonylContact O-C 3.58Å; T244-T247 PolarHBondContact O-N 2.61Å; T244-T247 PolarHBondContact O-OG1 2.6Å; T247-T249 VanDerWaalsContact C-N 3.3Å; T247-T249 PolarHBondContact O-N 2.83Å; T247-H250 PolarHBondContact O-N 3.34Å; T247-A255 HydrophobicContact CG2-CB 3.87Å
248T65Low70.5Confident69 Ų6982.7 Ų82.742%0.42348%0.478SS..THydrogen-bonded Turntrans-65.3-31.9-176.747.40000113.2T244T244-T248 WeakPolarHBondContact O-CB 3.48Å; T244-T248 WeakPolarHBondContact O-CG2 3.39Å; T244-T248 PolarHBondContact O-N 3Å; T244-T248 PolarHBondContact O-OG1 3.45Å; T244-T248 VanDerWaalsContact O-OG1 3.1Å; T244-T248 VanDerWaalsContact OG1-CG2 3.32Å; T244-T248 WeakPolarHBondContact OG1-CG2 3.31Å
249T67.5Low71.4Confident109 Ų10981.3 Ų81.367%0.66947%0.47SS*.THydrogen-bonded Turntrans-91.6-2.3-175.354.60000113.1T247T247-T249 VanDerWaalsContact C-N 3.3Å; T247-T249 PolarHBondContact O-N 2.83Å
250H67.6Low72.6Confident52 Ų5276.6 Ų76.624%0.24146%0.459CS..SBendtrans-117.9149.6-168.2-64.7-65.3000111.5D246 T247 E254 R258D246-H250 PolarHBondContact O-CD2 3.25Å; T247-H250 PolarHBondContact O-N 3.34Å; H250-E254 HydrophobicContact CB-CB 4Å; H250-E254 HydrophobicContact CB-CG 3.94Å; H250-E254 IonicContact CE1-OE1 3.18Å; H250-E254 PolarHBondContact CE1-OE1 3.47Å; H250-E254 IonicContact CE1-OE2 3.51Å; H250-E254 VanDerWaalsContact CG-CD 3.44Å; H250-E254 IonicContact CG-OE1 3.61Å; H250-E254 IonicContact CG-OE2 2.91Å; H250-E254 IonicContact ND1-OE1 3.63Å; H250-E254 PolarHBondContact ND1-OE1 3.03Å; H250-E254 IonicContact ND1-OE2 3.75Å; H250-E254 PolarHBondContact ND1-OE2 2.93Å; H250-E254 IonicContact NE2-OE1 3.86Å; H250-R258 PolarHBondContact CE1-NH2 2.83Å; H250-R258 VanDerWaalsContact CE1-NH2 3.27Å; H250-R258 VanDerWaalsContact NE2-CZ 3.33Å; H250-R258 PolarHBondContact NE2-NH2 3.33Å; H250-R258 VanDerWaalsContact NE2-NH2 3.13Å
251G74.8Confident73.7Confident50 Ų5075.6 Ų75.652%0.51546%0.461SS..  trans-60.4153.6172.400000111L253 E254 A255G251-L253 PolarHBondContact O-N 2.9Å; G251-E254 PolarHBondContact O-N 3.44Å; G251-A255 PolarHBondContact O-N 3.05Å
252L75.5Confident74.5Confident137 Ų13777.3 Ų77.372%0.71746%0.458SS*.Hα-helixtrans-49-38.4-179.2-17195.9000112.5A255 C256L252-A255 PolarHBondContact O-N 3.25Å; L252-C256 VanDerWaalsContact O-CB 3.23Å; L252-C256 WeakPolarHBondContact O-CB 3.21Å; L252-C256 PolarHBondContact O-N 3.08Å
253L81Confident75.5Confident150 Ų15076.2 Ų76.279%0.78545%0.445SS*.Hα-helixtrans-64.5-43.8178.1-175.565.7000112.4G251 C256 S257G251-L253 PolarHBondContact O-N 2.9Å; L253-C256 PolarHBondContact O-N 2.68Å; L253-S257 WeakPolarHBondContact O-CB 3.32Å; L253-S257 PolarHBondContact O-N 3.44Å
254E81.3Confident76.6Confident76 Ų7673.6 Ų73.636%0.35544%0.435SS..Hα-helixtrans-70.5-41.9178179.5179.1-179.800110.4H250 G251 C256 S257 R258H250-E254 HydrophobicContact CB-CB 4Å; H250-E254 HydrophobicContact CB-CG 3.94Å; H250-E254 IonicContact CE1-OE1 3.18Å; H250-E254 PolarHBondContact CE1-OE1 3.47Å; H250-E254 IonicContact CE1-OE2 3.51Å; H250-E254 VanDerWaalsContact CG-CD 3.44Å; H250-E254 IonicContact CG-OE1 3.61Å; H250-E254 IonicContact CG-OE2 2.91Å; H250-E254 IonicContact ND1-OE1 3.63Å; H250-E254 PolarHBondContact ND1-OE1 3.03Å; H250-E254 IonicContact ND1-OE2 3.75Å; H250-E254 PolarHBondContact ND1-OE2 2.93Å; H250-E254 IonicContact NE2-OE1 3.86Å; G251-E254 PolarHBondContact O-N 3.44Å; E254-C256 VanDerWaalsContact C-N 3.32Å; E254-C256 PolarHBondContact O-N 3.48Å; E254-S257 WeakPolarHBondContact CA-OG 3.44Å; E254-S257 PolarHBondContact O-N 3.03Å; E254-S257 VanDerWaalsContact O-N 3.15Å; E254-S257 PolarHBondContact O-OG 2.98Å; E254-R258 WeakPolarHBondContact O-CG 3.42Å; E254-R258 PolarHBondContact O-N 3.15Å; E254-R258 IonicContact OE1-CZ 2.9Å; E254-R258 IonicContact OE1-NE 3.84Å; E254-R258 PolarHBondContact OE1-NE 3.25Å; E254-R258 IonicContact OE1-NH2 3.53Å; E254-R258 PolarHBondContact OE1-NH2 3Å
255A79.9Confident77.2Confident18 Ų1876.8 Ų76.815%0.14945%0.45CS..Hα-helixtrans-57.4-44.5173.200000112T247 G251 L252 R258 L259T247-A255 HydrophobicContact CG2-CB 3.87Å; G251-A255 PolarHBondContact O-N 3.05Å; L252-A255 PolarHBondContact O-N 3.25Å; A255-R258 PolarHBondContact O-N 3.09Å; A255-L259 WeakPolarHBondContact O-CB 3.4Å; A255-L259 PolarHBondContact O-N 3.4Å
256C83.4Confident77.6Confident78 Ų7882.1 Ų82.153%0.52746%0.464SS..Hα-helixtrans-63.9-42.1175.1-171.80000111.5L252 L253 E254 R258 L259 S260L252-C256 VanDerWaalsContact O-CB 3.23Å; L252-C256 WeakPolarHBondContact O-CB 3.21Å; L252-C256 PolarHBondContact O-N 3.08Å; L253-C256 PolarHBondContact O-N 2.68Å; E254-C256 VanDerWaalsContact C-N 3.32Å; E254-C256 PolarHBondContact O-N 3.48Å; C256-R258 VanDerWaalsContact C-N 3.33Å; C256-R258 PolarHBondContact O-N 2.71Å; C256-L259 PolarHBondContact O-N 2.68Å; C256-S260 WeakPolarHBondContact O-CB 3.46Å; C256-S260 PolarHBondContact O-N 3.49Å; C256-S260 PolarHBondContact O-OG 2.89Å
257S85.6Confident78.4Confident60 Ų6084.4 Ų84.442%0.4247%0.473SS..Hα-helixtrans-63.4-36.9176.978.10000113.2L253 E254 S260 A261L253-S257 WeakPolarHBondContact O-CB 3.32Å; L253-S257 PolarHBondContact O-N 3.44Å; E254-S257 WeakPolarHBondContact CA-OG 3.44Å; E254-S257 PolarHBondContact O-N 3.03Å; E254-S257 VanDerWaalsContact O-N 3.15Å; E254-S257 PolarHBondContact O-OG 2.98Å; S257-S260 WeakPolarHBondContact CA-OG 3.48Å; S257-S260 PolarHBondContact O-OG 3.11Å; S257-A261 WeakPolarHBondContact O-CB 3.48Å; S257-A261 PolarHBondContact O-N 2.94Å
258R83.3Confident78.9Confident85 Ų8589.5 Ų89.532%0.32149%0.494SS..Hα-helixtrans-72.1-41.4175.8-72.4180179.2-133.32.8111.3D246 H250 E254 A255 C256 S260 A261 R262D246-R258 WeakPolarHBondContact O-CD 3.29Å; H250-R258 PolarHBondContact CE1-NH2 2.83Å; H250-R258 VanDerWaalsContact CE1-NH2 3.27Å; H250-R258 VanDerWaalsContact NE2-CZ 3.33Å; H250-R258 PolarHBondContact NE2-NH2 3.33Å; H250-R258 VanDerWaalsContact NE2-NH2 3.13Å; E254-R258 WeakPolarHBondContact O-CG 3.42Å; E254-R258 PolarHBondContact O-N 3.15Å; E254-R258 IonicContact OE1-CZ 2.9Å; E254-R258 IonicContact OE1-NE 3.84Å; E254-R258 PolarHBondContact OE1-NE 3.25Å; E254-R258 IonicContact OE1-NH2 3.53Å; E254-R258 PolarHBondContact OE1-NH2 3Å; A255-R258 PolarHBondContact O-N 3.09Å; C256-R258 VanDerWaalsContact C-N 3.33Å; C256-R258 PolarHBondContact O-N 2.71Å; R258-S260 VanDerWaalsContact C-N 3.33Å; R258-A261 PolarHBondContact O-N 3.34Å; R258-R262 WeakPolarHBondContact O-CG 3.15Å; R258-R262 PolarHBondContact O-N 3.38Å
259L84Confident79.6Confident117 Ų11788.9 Ų88.961%0.61350%0.5SS*.Hα-helixtrans-63.8-40.6173.9-176.561000111A255 C256 A261 R262 S263A255-L259 WeakPolarHBondContact O-CB 3.4Å; A255-L259 PolarHBondContact O-N 3.4Å; C256-L259 PolarHBondContact O-N 2.68Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-R262 PolarHBondContact O-N 3.33Å; L259-S263 VanDerWaalsContact O-CB 3.31Å; L259-S263 WeakPolarHBondContact O-CB 3.07Å; L259-S263 PolarHBondContact O-N 3.42Å
260S85.7Confident80.2Confident71 Ų7188.9 Ų88.950%0.49749%0.489SS..Hα-helixtrans-65.5-38.1174.265.50000111.8C256 S257 R258 S263 S264C256-S260 WeakPolarHBondContact O-CB 3.46Å; C256-S260 PolarHBondContact O-N 3.49Å; C256-S260 PolarHBondContact O-OG 2.89Å; S257-S260 WeakPolarHBondContact CA-OG 3.48Å; S257-S260 PolarHBondContact O-OG 3.11Å; R258-S260 VanDerWaalsContact C-N 3.33Å; S260-S263 PolarHBondContact O-N 3.44Å; S260-S264 WeakPolarHBondContact O-CB 3.37Å; S260-S264 PolarHBondContact O-N 3.4Å
261A83.1Confident80.9Confident50 Ų5090.4 Ų90.441%0.41350%0.498SS..Hα-helixtrans-63.8-43173.200000111.5S257 R258 L259 S264 L265S257-A261 WeakPolarHBondContact O-CB 3.48Å; S257-A261 PolarHBondContact O-N 2.94Å; R258-A261 PolarHBondContact O-N 3.34Å; L259-A261 VanDerWaalsContact C-N 3.35Å; A261-S264 WeakPolarHBondContact O-CB 3.34Å; A261-S264 PolarHBondContact O-N 2.79Å; A261-S264 PolarHBondContact O-OG 3.48Å; A261-L265 PolarHBondContact O-N 2.76Å
262R81Confident81.5Confident114 Ų11492.2 Ų92.243%0.4350%0.496SS..Hα-helixtrans-65.6-41.5174.1-74.1-176.9174.8-160.6-1.8112.4D246 R258 L259 S264 L265 F266D246-R262 IonicContact OD2-CZ 3.61Å; D246-R262 IonicContact OD2-NH2 2.61Å; D246-R262 PolarHBondContact OD2-NH2 3.36Å; R258-R262 WeakPolarHBondContact O-CG 3.15Å; R258-R262 PolarHBondContact O-N 3.38Å; L259-R262 PolarHBondContact O-N 3.33Å; R262-S264 PolarHBondContact O-N 2.79Å; R262-L265 WeakPolarHBondContact O-CB 3.33Å; R262-L265 PolarHBondContact O-N 3.45Å; R262-F266 VanDerWaalsContact O-CD2 3.29Å; R262-F266 WeakPolarHBondContact O-CD2 3.37Å; R262-F266 PolarHBondContact O-N 3.02Å
263S84.8Confident82Confident75 Ų7590.2 Ų90.252%0.52448%0.484SS..Hα-helixtrans-58.9-37.7173.3-177.60000111.3L259 S260 L265 F266L259-S263 VanDerWaalsContact O-CB 3.31Å; L259-S263 WeakPolarHBondContact O-CB 3.07Å; L259-S263 PolarHBondContact O-N 3.42Å; S260-S263 PolarHBondContact O-N 3.44Å; S263-L265 VanDerWaalsContact C-N 3.28Å; S263-L265 PolarHBondContact O-N 3.49Å; S263-F266 WeakPolarHBondContact O-CB 3.23Å; S263-F266 PolarHBondContact O-N 3.34Å
264S82.8Confident82.3Confident43 Ų4387.4 Ų87.430%0.30147%0.469SS..Hα-helixtrans-66.3-27174.6800000113.7S260 A261 R262 F266 Q267S260-S264 WeakPolarHBondContact O-CB 3.37Å; S260-S264 PolarHBondContact O-N 3.4Å; A261-S264 WeakPolarHBondContact O-CB 3.34Å; A261-S264 PolarHBondContact O-N 2.79Å; A261-S264 PolarHBondContact O-OG 3.48Å; R262-S264 PolarHBondContact O-N 2.79Å; S264-F266 PolarHBondContact O-N 3.35Å; S264-Q267 VanDerWaalsContact O-CB 3.23Å; S264-Q267 WeakPolarHBondContact O-CB 3.44Å; S264-Q267 WeakPolarHBondContact O-CG 3.19Å; S264-Q267 PolarHBondContact O-N 2.85Å; S264-Q267 VanDerWaalsContact O-N 3.15Å
265L78.2Confident82.6Confident94 Ų9489.5 Ų89.549%0.49248%0.479SS..Hα-helixtrans-70.8-22.2172.7-62.5173.8000112.6A261 R262 S263 Q267 Y270A261-L265 PolarHBondContact O-N 2.76Å; R262-L265 WeakPolarHBondContact O-CB 3.33Å; R262-L265 PolarHBondContact O-N 3.45Å; S263-L265 VanDerWaalsContact C-N 3.28Å; S263-L265 PolarHBondContact O-N 3.49Å; L265-Q267 PolarHBondContact O-N 3.05Å; L265-Y270 WeakPolarHBondContact O-CB 3.47Å
266F75.3Confident83.1Confident163 Ų16391.7 Ų91.772%0.71550%0.497SS*.THydrogen-bonded Turntrans-81.62.3172-66.5-68.8000113R262 S263 S264 Q268R262-F266 VanDerWaalsContact O-CD2 3.29Å; R262-F266 WeakPolarHBondContact O-CD2 3.37Å; R262-F266 PolarHBondContact O-N 3.02Å; S263-F266 WeakPolarHBondContact O-CB 3.23Å; S263-F266 PolarHBondContact O-N 3.34Å; S264-F266 PolarHBondContact O-N 3.35Å; F266-Q268 PolarHBondContact O-N 2.92Å
267Q80.1Confident83.5Confident116 Ų11696.2 Ų96.254%0.54250%0.503SS..SBendtrans-60.4138.5170-70171.40.100110S264 L265 G269 Y270 L271S264-Q267 VanDerWaalsContact O-CB 3.23Å; S264-Q267 WeakPolarHBondContact O-CB 3.44Å; S264-Q267 WeakPolarHBondContact O-CG 3.19Å; S264-Q267 PolarHBondContact O-N 2.85Å; S264-Q267 VanDerWaalsContact O-N 3.15Å; L265-Q267 PolarHBondContact O-N 3.05Å; Q267-G269 PolarHBondContact O-N 2.7Å; Q267-Y270 HydrophobicContact CB-CD2 4.23Å; Q267-Y270 PolarHBondContact O-N 2.83Å; Q267-L271 PolarHBondContact O-N 3.3Å
268Q77.6Confident84Confident153 Ų15398.4 Ų98.472%0.71551%0.509SS*.Hα-helixtrans-52.6-36.5-169-168.1153.3-8.800113.9F266 Y270 L271 D272F266-Q268 PolarHBondContact O-N 2.92Å; Q268-Y270 PolarHBondContact O-N 3.34Å; Q268-L271 PolarHBondContact O-N 3.46Å; Q268-D272 PolarHBondContact O-N 2.77Å
269G80.3Confident84.5Confident55 Ų5597 Ų9757%0.56752%0.516SS*.Hα-helixtrans-65.4-33.3177.600000115Q267 M273Q267-G269 PolarHBondContact O-N 2.7Å; G269-M273 PolarHBondContact O-N 3.46Å
270Y79.2Confident85Confident110 Ų11094.2 Ų94.243%0.43151%0.507SS..Hα-helixtrans-77.2-34.5174.2-69.5-71000111.4L265 Q267 Q268 M273 I274L265-Y270 WeakPolarHBondContact O-CB 3.47Å; Q267-Y270 HydrophobicContact CB-CD2 4.23Å; Q267-Y270 PolarHBondContact O-N 2.83Å; Q268-Y270 PolarHBondContact O-N 3.34Å; Y270-M273 HydrophobicContact CD1-CE 3.87Å; Y270-M273 HydrophobicContact CE1-CE 4.49Å; Y270-M273 PolarHBondContact O-N 3.27Å; Y270-I274 WeakPolarHBondContact O-CB 3.26Å; Y270-I274 WeakPolarHBondContact O-CD1 3.34Å; Y270-I274 WeakPolarHBondContact O-CG1 3.42Å; Y270-I274 PolarHBondContact O-N 3.18Å
271L83.1Confident85.5Confident83 Ų8396.3 Ų96.344%0.43551%0.512SS..Hα-helixtrans-63.6-47.2177.6-162.7155.7000110.6Q267 Q268 M273 I274 E275Q267-L271 PolarHBondContact O-N 3.3Å; Q268-L271 PolarHBondContact O-N 3.46Å; L271-M273 VanDerWaalsContact C-N 3.29Å; L271-M273 PolarHBondContact O-N 3.31Å; L271-I274 CarbonylContact O-C 3.6Å; L271-I274 PolarHBondContact O-N 3.33Å; L271-I274 VanDerWaalsContact O-N 3.11Å; L271-E275 WeakPolarHBondContact O-CB 3.41Å; L271-E275 PolarHBondContact O-N 2.77Å
272D86.6Confident86Confident88 Ų8899.5 Ų99.547%0.47152%0.518SS..Hα-helixtrans-59.8-40176.1-66.2-13.8000111.5Q268 E275 A276Q268-D272 PolarHBondContact O-N 2.77Å; D272-E275 PolarHBondContact O-N 3.12Å; D272-A276 WeakPolarHBondContact O-CB 3.49Å; D272-A276 PolarHBondContact O-N 3.37Å
273M86.3Confident86.7Confident95 Ų9595.9 Ų95.947%0.46852%0.516SS..Hα-helixtrans-67.8-39.7175.9-175.4-177.960.300112.1G269 Y270 L271 R277G269-M273 PolarHBondContact O-N 3.46Å; Y270-M273 HydrophobicContact CD1-CE 3.87Å; Y270-M273 HydrophobicContact CE1-CE 4.49Å; Y270-M273 PolarHBondContact O-N 3.27Å; L271-M273 VanDerWaalsContact C-N 3.29Å; L271-M273 PolarHBondContact O-N 3.31Å; M273-R277 WeakPolarHBondContact O-CB 3.37Å; M273-R277 VanDerWaalsContact O-CG 3.26Å; M273-R277 WeakPolarHBondContact O-CG 3.32Å; M273-R277 PolarHBondContact O-N 3.04Å
274I87.2Confident87.2Confident92 Ų9299.1 Ų99.147%0.47252%0.521SS..Hα-helixtrans-66.5-42.3176.5-71.8164.1000109.9Y270 L271 R277 L278Y270-I274 WeakPolarHBondContact O-CB 3.26Å; Y270-I274 WeakPolarHBondContact O-CD1 3.34Å; Y270-I274 WeakPolarHBondContact O-CG1 3.42Å; Y270-I274 PolarHBondContact O-N 3.18Å; L271-I274 CarbonylContact O-C 3.6Å; L271-I274 PolarHBondContact O-N 3.33Å; L271-I274 VanDerWaalsContact O-N 3.11Å; I274-R277 CarbonylContact O-C 3.59Å; I274-R277 PolarHBondContact O-N 3.34Å; I274-L278 VanDerWaalsContact O-CB 3.26Å; I274-L278 WeakPolarHBondContact O-CB 3.38Å; I274-L278 PolarHBondContact O-N 3.04Å
275E88.1Confident87.7Confident120 Ų120102.2 Ų102.256%0.56153%0.534SS*.Hα-helixtrans-62.6-47.5175.9-174179172.600111L271 D272 R277 L278 A279L271-E275 WeakPolarHBondContact O-CB 3.41Å; L271-E275 PolarHBondContact O-N 2.77Å; D272-E275 PolarHBondContact O-N 3.12Å; E275-R277 VanDerWaalsContact C-N 3.29Å; E275-R277 PolarHBondContact O-N 2.99Å; E275-L278 PolarHBondContact O-N 3.48Å; E275-L278 VanDerWaalsContact O-N 3.12Å; E275-A279 WeakPolarHBondContact O-CB 3.27Å; E275-A279 PolarHBondContact O-N 2.89Å
276A90.3Very high88.5Confident64 Ų64103.7 Ų103.753%0.52954%0.538SS..Hα-helixtrans-59.5-40.4174.900000111.9D272 S280D272-A276 WeakPolarHBondContact O-CB 3.49Å; D272-A276 PolarHBondContact O-N 3.37Å; A276-S280 WeakPolarHBondContact O-CB 3.26Å; A276-S280 PolarHBondContact O-N 2.82Å
277R91.9Very high89.4Confident172 Ų17297.9 Ų97.965%0.64952%0.52SS*.Hα-helixtrans-66.8-40.6174.8-76.3-178.270177.81.1111.9M273 I274 E275 S280 L281M273-R277 WeakPolarHBondContact O-CB 3.37Å; M273-R277 VanDerWaalsContact O-CG 3.26Å; M273-R277 WeakPolarHBondContact O-CG 3.32Å; M273-R277 PolarHBondContact O-N 3.04Å; I274-R277 CarbonylContact O-C 3.59Å; I274-R277 PolarHBondContact O-N 3.34Å; E275-R277 VanDerWaalsContact C-N 3.29Å; E275-R277 PolarHBondContact O-N 2.99Å; R277-S280 PolarHBondContact O-N 3.24Å; R277-S280 PolarHBondContact O-OG 3.12Å; R277-L281 WeakPolarHBondContact O-CB 3.36Å; R277-L281 PolarHBondContact O-N 2.75Å
278L95.3Very high89.9Confident106 Ų10696.9 Ų96.956%0.55552%0.521SS*.Hα-helixtrans-67.4-42.7178.7-172139.1000110.9I274 E275 S280 L281 Q282I274-L278 VanDerWaalsContact O-CB 3.26Å; I274-L278 WeakPolarHBondContact O-CB 3.38Å; I274-L278 PolarHBondContact O-N 3.04Å; E275-L278 PolarHBondContact O-N 3.48Å; E275-L278 VanDerWaalsContact O-N 3.12Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 3.39Å; L278-L281 PolarHBondContact O-N 3.44Å; L278-Q282 VanDerWaalsContact O-CB 3.32Å; L278-Q282 WeakPolarHBondContact O-CB 3.37Å; L278-Q282 PolarHBondContact O-N 3.26Å
279A93.7Very high90.6Very high56 Ų5692.4 Ų92.446%0.46351%0.505SS..Hα-helixtrans-60.8-42.4171.500000111.4E275 L281 Q282 G283E275-A279 WeakPolarHBondContact O-CB 3.27Å; E275-A279 PolarHBondContact O-N 2.89Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.43Å; A279-Q282 PolarHBondContact O-N 2.96Å; A279-G283 PolarHBondContact O-N 3.48Å
280S94.4Very high91.2Very high59 Ų5996 Ų9641%0.41351%0.507SS..Hα-helixtrans-65-36.6175.183.30000112.6A276 R277 L278 K284A276-S280 WeakPolarHBondContact O-CB 3.26Å; A276-S280 PolarHBondContact O-N 2.82Å; R277-S280 PolarHBondContact O-N 3.24Å; R277-S280 PolarHBondContact O-OG 3.12Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 3.39Å; S280-K284 WeakPolarHBondContact O-CB 3.31Å; S280-K284 VanDerWaalsContact O-CG 3.27Å; S280-K284 WeakPolarHBondContact O-CG 3.36Å; S280-K284 PolarHBondContact O-N 2.93Å
281L96Very high91.8Very high114 Ų11497.9 Ų97.960%0.59752%0.517SS*.Hα-helixtrans-71.4-41.6177.2178.362.8000110.6R277 L278 A279 K284 L285R277-L281 WeakPolarHBondContact O-CB 3.36Å; R277-L281 PolarHBondContact O-N 2.75Å; L278-L281 PolarHBondContact O-N 3.44Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.43Å; L281-K284 CarbonylContact O-C 3.53Å; L281-K284 PolarHBondContact O-N 3.25Å; L281-L285 VanDerWaalsContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CB 3.26Å; L281-L285 PolarHBondContact O-N 3.31Å
282Q94.4Very high92.1Very high118 Ų118102.2 Ų102.255%0.55153%0.528SS*.Hα-helixtrans-61.7-44.8175-178.7177.7-15.700110.7L278 A279 K284 L285 Q286L278-Q282 VanDerWaalsContact O-CB 3.32Å; L278-Q282 WeakPolarHBondContact O-CB 3.37Å; L278-Q282 PolarHBondContact O-N 3.26Å; A279-Q282 PolarHBondContact O-N 2.96Å; Q282-K284 PolarHBondContact O-N 2.84Å; Q282-L285 PolarHBondContact O-N 2.87Å; Q282-Q286 WeakPolarHBondContact O-CB 3.46Å; Q282-Q286 PolarHBondContact O-N 3.47Å
283G95.2Very high92.2Very high38 Ų38103.6 Ų103.639%0.39253%0.532SS..Hα-helixtrans-62-41.717400000112.6A279 Q286 A287A279-G283 PolarHBondContact O-N 3.48Å; G283-Q286 PolarHBondContact O-N 3.37Å; G283-A287 WeakPolarHBondContact O-CB 3.5Å; G283-A287 PolarHBondContact O-N 2.94Å
284K94.8Very high92.2Very high143 Ų143102 Ų10262%0.62253%0.533SS*.Hα-helixtrans-64.3-40.9173.5-75.4174.3-175.8178.70112.2S280 L281 Q282 A287 V288S280-K284 WeakPolarHBondContact O-CB 3.31Å; S280-K284 VanDerWaalsContact O-CG 3.27Å; S280-K284 WeakPolarHBondContact O-CG 3.36Å; S280-K284 PolarHBondContact O-N 2.93Å; L281-K284 CarbonylContact O-C 3.53Å; L281-K284 PolarHBondContact O-N 3.25Å; Q282-K284 PolarHBondContact O-N 2.84Å; K284-A287 PolarHBondContact O-N 2.81Å; K284-V288 WeakPolarHBondContact O-CB 3.4Å; K284-V288 VanDerWaalsContact O-CG2 3.26Å; K284-V288 WeakPolarHBondContact O-CG2 3.32Å; K284-V288 PolarHBondContact O-N 3.37Å
285L94.6Very high92.1Very high108 Ų108102.4 Ų102.457%0.56554%0.535SS*.Hα-helixtrans-65-45178-178.662.4000110.4L281 Q282 A287 V288 T289L281-L285 VanDerWaalsContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CB 3.26Å; L281-L285 PolarHBondContact O-N 3.31Å; Q282-L285 PolarHBondContact O-N 2.87Å; L285-A287 PolarHBondContact O-N 3.47Å; L285-V288 CarbonylContact O-C 3.59Å; L285-V288 WeakPolarHBondContact O-CB 3.29Å; L285-V288 PolarHBondContact O-N 3.13Å; L285-V288 VanDerWaalsContact O-N 3.12Å; L285-T289 HydrophobicContact CD1-CG2 4.46Å; L285-T289 WeakPolarHBondContact O-CG2 3.38Å; L285-T289 PolarHBondContact O-N 3.37Å; L285-T289 PolarHBondContact O-OG1 3.48Å
286Q93.4Very high91.9Very high124 Ų12498.8 Ų98.858%0.57953%0.526SS*.Hα-helixtrans-62-41.9176.5-171.1173.9-4.400111.8Q282 G283 V288 T289 E290Q282-Q286 WeakPolarHBondContact O-CB 3.46Å; Q282-Q286 PolarHBondContact O-N 3.47Å; G283-Q286 PolarHBondContact O-N 3.37Å; Q286-V288 VanDerWaalsContact C-N 3.31Å; Q286-V288 PolarHBondContact O-N 3.32Å; Q286-T289 VanDerWaalsContact CA-OG1 3.29Å; Q286-T289 WeakPolarHBondContact CA-OG1 3.16Å; Q286-T289 PolarHBondContact O-N 3.48Å; Q286-T289 PolarHBondContact O-OG1 2.93Å; Q286-E290 VanDerWaalsContact O-CB 3.32Å; Q286-E290 WeakPolarHBondContact O-CB 3.49Å; Q286-E290 PolarHBondContact O-N 2.96Å
287A94Very high91.7Very high42 Ų42100.1 Ų100.135%0.34752%0.524SS..Hα-helixtrans-65.4-34.2174.100000112.6G283 K284 L285 K291G283-A287 WeakPolarHBondContact O-CB 3.5Å; G283-A287 PolarHBondContact O-N 2.94Å; K284-A287 PolarHBondContact O-N 2.81Å; L285-A287 PolarHBondContact O-N 3.47Å; A287-K291 WeakPolarHBondContact O-CB 3.35Å; A287-K291 VanDerWaalsContact O-CG 3.26Å; A287-K291 WeakPolarHBondContact O-CG 3.45Å; A287-K291 PolarHBondContact O-N 2.9Å
288V91.8Very high91.6Very high94 Ų9498.7 Ų98.757%0.5752%0.52SS*.Hα-helixtrans-70.6-41.1174.21680000110.9K284 L285 Q286 R292K284-V288 WeakPolarHBondContact O-CB 3.4Å; K284-V288 VanDerWaalsContact O-CG2 3.26Å; K284-V288 WeakPolarHBondContact O-CG2 3.32Å; K284-V288 PolarHBondContact O-N 3.37Å; L285-V288 CarbonylContact O-C 3.59Å; L285-V288 WeakPolarHBondContact O-CB 3.29Å; L285-V288 PolarHBondContact O-N 3.13Å; L285-V288 VanDerWaalsContact O-N 3.12Å; Q286-V288 VanDerWaalsContact C-N 3.31Å; Q286-V288 PolarHBondContact O-N 3.32Å; V288-R292 VanDerWaalsContact O-CB 3.27Å; V288-R292 WeakPolarHBondContact O-CB 3.4Å; V288-R292 PolarHBondContact O-N 3.35Å
289T92.2Very high91.2Very high60 Ų6097.5 Ų97.537%0.36851%0.514SS..Hα-helixtrans-67.1-43.2177.553.30000111.4L285 Q286 R292 E293L285-T289 HydrophobicContact CD1-CG2 4.46Å; L285-T289 WeakPolarHBondContact O-CG2 3.38Å; L285-T289 PolarHBondContact O-N 3.37Å; L285-T289 PolarHBondContact O-OG1 3.48Å; Q286-T289 VanDerWaalsContact CA-OG1 3.29Å; Q286-T289 WeakPolarHBondContact CA-OG1 3.16Å; Q286-T289 PolarHBondContact O-N 3.48Å; Q286-T289 PolarHBondContact O-OG1 2.93Å; T289-R292 WeakPolarHBondContact O-CB 3.42Å; T289-R292 PolarHBondContact O-N 2.87Å; T289-R292 VanDerWaalsContact O-N 3.16Å; T289-E293 WeakPolarHBondContact O-CG 3.26Å; T289-E293 PolarHBondContact O-N 2.91Å
290E92Very high90.9Very high131 Ų131100.2 Ų100.261%0.61252%0.518SS*.Hα-helixtrans-63.1-44.2176.6-174.2179.6-172.600111.4Q286 R292 E293 A294Q286-E290 VanDerWaalsContact O-CB 3.32Å; Q286-E290 WeakPolarHBondContact O-CB 3.49Å; Q286-E290 PolarHBondContact O-N 2.96Å; E290-R292 VanDerWaalsContact C-N 3.31Å; E290-R292 PolarHBondContact O-N 3.43Å; E290-E293 PolarHBondContact O-N 3.39Å; E290-A294 WeakPolarHBondContact O-CB 3.42Å; E290-A294 PolarHBondContact O-N 3.07Å
291K92Very high90.6Very high149 Ų149103.6 Ų103.665%0.64853%0.527SS*.Hα-helixtrans-62.8-38.3173.2-77.2-179.5-179.5-178.60112.4A287 A294 I295A287-K291 WeakPolarHBondContact O-CB 3.35Å; A287-K291 VanDerWaalsContact O-CG 3.26Å; A287-K291 WeakPolarHBondContact O-CG 3.45Å; A287-K291 PolarHBondContact O-N 2.9Å; K291-A294 PolarHBondContact O-N 2.91Å; K291-I295 WeakPolarHBondContact O-CB 3.27Å; K291-I295 WeakPolarHBondContact O-CD1 3.44Å; K291-I295 WeakPolarHBondContact O-CG1 3.29Å; K291-I295 PolarHBondContact O-N 3.31Å
292R89.1Confident90.5Very high174 Ų174101 Ų10166%0.65751%0.514SS*.Hα-helixtrans-65.2-41.6177.2179.9-176.7173.1-82.1-2.1111.2V288 T289 E290 A296V288-R292 VanDerWaalsContact O-CB 3.27Å; V288-R292 WeakPolarHBondContact O-CB 3.4Å; V288-R292 PolarHBondContact O-N 3.35Å; T289-R292 WeakPolarHBondContact O-CB 3.42Å; T289-R292 PolarHBondContact O-N 2.87Å; T289-R292 VanDerWaalsContact O-N 3.16Å; E290-R292 VanDerWaalsContact C-N 3.31Å; E290-R292 PolarHBondContact O-N 3.43Å; R292-A296 VanDerWaalsContact O-CB 3.29Å; R292-A296 WeakPolarHBondContact O-CB 3.49Å; R292-A296 PolarHBondContact O-N 3.16Å
293E89.3Confident90.4Very high117 Ų117101.9 Ų101.955%0.54752%0.516SS..Hα-helixtrans-64.3-47.4175.1-73.1173.9-179.600110.9T289 E290 I295 A296 D297T289-E293 WeakPolarHBondContact O-CG 3.26Å; T289-E293 PolarHBondContact O-N 2.91Å; E290-E293 PolarHBondContact O-N 3.39Å; E293-I295 VanDerWaalsContact C-N 3.33Å; E293-I295 PolarHBondContact O-N 3.3Å; E293-A296 PolarHBondContact O-N 2.84Å; E293-A296 VanDerWaalsContact O-N 3.14Å; E293-D297 WeakPolarHBondContact O-CB 3.5Å; E293-D297 PolarHBondContact O-N 3.14Å
294A86.9Confident90.3Very high60 Ų60105 Ų10550%0.49652%0.523SS..Hα-helixtrans-60.3-39.1176.400000113.3E290 K291 Y298E290-A294 WeakPolarHBondContact O-CB 3.42Å; E290-A294 PolarHBondContact O-N 3.07Å; K291-A294 PolarHBondContact O-N 2.91Å; A294-Y298 WeakPolarHBondContact O-CB 3.36Å; A294-Y298 PolarHBondContact O-N 2.89Å
295I85.3Confident90.1Very high102 Ų102100.6 Ų100.652%0.52351%0.514SS..Hα-helixtrans-68.3-43.2174.8-68.6163.6000110.7K291 E293 D297 Y298 D299K291-I295 WeakPolarHBondContact O-CB 3.27Å; K291-I295 WeakPolarHBondContact O-CD1 3.44Å; K291-I295 WeakPolarHBondContact O-CG1 3.29Å; K291-I295 PolarHBondContact O-N 3.31Å; E293-I295 VanDerWaalsContact C-N 3.33Å; E293-I295 PolarHBondContact O-N 3.3Å; I295-D297 VanDerWaalsContact C-N 3.33Å; I295-D297 PolarHBondContact O-N 3.47Å; I295-Y298 PolarHBondContact O-N 3.34Å; I295-D299 WeakPolarHBondContact O-CB 3.48Å; I295-D299 PolarHBondContact O-N 3.02Å
296A83.3Confident90Very high44 Ų44102.2 Ų102.236%0.36452%0.518SS..Hα-helixtrans-63.6-39.7178.700000111.9R292 E293 D299 M300R292-A296 VanDerWaalsContact O-CB 3.29Å; R292-A296 WeakPolarHBondContact O-CB 3.49Å; R292-A296 PolarHBondContact O-N 3.16Å; E293-A296 PolarHBondContact O-N 2.84Å; E293-A296 VanDerWaalsContact O-N 3.14Å; A296-D299 PolarHBondContact O-N 3.49Å; A296-M300 VanDerWaalsContact O-CB 3.31Å; A296-M300 WeakPolarHBondContact O-CB 3.47Å; A296-M300 PolarHBondContact O-N 2.89Å
297D87.2Confident90Very high91 Ų91101.6 Ų101.649%0.48752%0.518SS..Hα-helixtrans-66.5-41.8175.2-75.1-13.2000111.4E293 I295 M300 Q301E293-D297 WeakPolarHBondContact O-CB 3.5Å; E293-D297 PolarHBondContact O-N 3.14Å; I295-D297 VanDerWaalsContact C-N 3.33Å; I295-D297 PolarHBondContact O-N 3.47Å; D297-M300 PolarHBondContact O-N 3.34Å; D297-Q301 WeakPolarHBondContact O-CB 3.31Å; D297-Q301 VanDerWaalsContact O-CG 3.27Å; D297-Q301 WeakPolarHBondContact O-CG 3.02Å; D297-Q301 PolarHBondContact O-N 2.83Å
298Y88.2Confident89.9Confident143 Ų143107 Ų10756%0.56153%0.531SS*.Hα-helixtrans-62.6-44.8174.9-177.5-103.6000112.2A294 I295 M300 Q301 N302A294-Y298 WeakPolarHBondContact O-CB 3.36Å; A294-Y298 PolarHBondContact O-N 2.89Å; I295-Y298 PolarHBondContact O-N 3.34Å; Y298-M300 VanDerWaalsContact C-N 3.34Å; Y298-M300 PolarHBondContact O-N 3.49Å; Y298-Q301 PolarHBondContact O-N 3.37Å; Y298-N302 WeakPolarHBondContact CE1-ND2 3.34Å; Y298-N302 VanDerWaalsContact CZ-ND2 3.33Å; Y298-N302 WeakPolarHBondContact O-CB 3.44Å; Y298-N302 PolarHBondContact O-N 2.87Å
299D86.9Confident90Very high80 Ų80106.7 Ų106.743%0.42852%0.523SS..Hα-helixtrans-64.7-38.7175.7-81.8-12.5000111.9I295 A296 K303I295-D299 WeakPolarHBondContact O-CB 3.48Å; I295-D299 PolarHBondContact O-N 3.02Å; A296-D299 PolarHBondContact O-N 3.49Å; D299-K303 WeakPolarHBondContact O-CB 3.37Å; D299-K303 WeakPolarHBondContact O-CG 3.24Å; D299-K303 PolarHBondContact O-N 2.89Å
300M86.9Confident90Very high114 Ų114108.1 Ų108.156%0.56253%0.528SS*.Hα-helixtrans-66.3-44.3176-166.7-176.5-61.500110.9A296 D297 Y298 K303 I304A296-M300 VanDerWaalsContact O-CB 3.31Å; A296-M300 WeakPolarHBondContact O-CB 3.47Å; A296-M300 PolarHBondContact O-N 2.89Å; D297-M300 PolarHBondContact O-N 3.34Å; Y298-M300 VanDerWaalsContact C-N 3.34Å; Y298-M300 PolarHBondContact O-N 3.49Å; M300-K303 PolarHBondContact O-N 3.34Å; M300-I304 HydrophobicContact CG-CD1 4.01Å; M300-I304 WeakPolarHBondContact O-CB 3.46Å; M300-I304 WeakPolarHBondContact O-CD1 3.47Å; M300-I304 WeakPolarHBondContact O-CG1 3.2Å; M300-I304 PolarHBondContact O-N 2.97Å
301Q89.8Confident89.9Confident129 Ų129106.4 Ų106.460%0.60353%0.526SS*.Hα-helixtrans-62.8-41.3175.5-75.6-179.34.900112.1D297 Y298 I304 A305D297-Q301 WeakPolarHBondContact O-CB 3.31Å; D297-Q301 VanDerWaalsContact O-CG 3.27Å; D297-Q301 WeakPolarHBondContact O-CG 3.02Å; D297-Q301 PolarHBondContact O-N 2.83Å; Y298-Q301 PolarHBondContact O-N 3.37Å; Q301-I304 PolarHBondContact O-N 3.41Å; Q301-A305 WeakPolarHBondContact O-CB 3.27Å; Q301-A305 PolarHBondContact O-N 2.84Å
302N92.7Very high89.8Confident60 Ų60104.3 Ų104.332%0.32152%0.517SS..Hα-helixtrans-62.6-45.9174.7-80.2-18.8000111.8Y298 I304 A305 E306Y298-N302 WeakPolarHBondContact CE1-ND2 3.34Å; Y298-N302 VanDerWaalsContact CZ-ND2 3.33Å; Y298-N302 WeakPolarHBondContact O-CB 3.44Å; Y298-N302 PolarHBondContact O-N 2.87Å; N302-I304 VanDerWaalsContact C-N 3.31Å; N302-I304 PolarHBondContact O-N 2.92Å; N302-A305 PolarHBondContact O-N 3.18Å; N302-E306 WeakPolarHBondContact O-CG 3.44Å; N302-E306 PolarHBondContact O-N 2.83Å
303K91.8Very high89.7Confident136 Ų136102.4 Ų102.459%0.59151%0.514SS*.Hα-helixtrans-60.6-41.1174.9-75.6174.1-177.3174.70111.8D299 M300 E306 L307D299-K303 WeakPolarHBondContact O-CB 3.37Å; D299-K303 WeakPolarHBondContact O-CG 3.24Å; D299-K303 PolarHBondContact O-N 2.89Å; M300-K303 PolarHBondContact O-N 3.34Å; K303-E306 PolarHBondContact O-N 3.41Å; K303-L307 WeakPolarHBondContact O-CB 3.43Å; K303-L307 VanDerWaalsContact O-CG 3.24Å; K303-L307 WeakPolarHBondContact O-CG 3.26Å; K303-L307 PolarHBondContact O-N 3.3Å
304I93.5Very high89.7Confident103 Ų103104.8 Ų104.853%0.52852%0.518SS..Hα-helixtrans-63.6-42.9175.7-69.9164.3000110.4M300 Q301 N302 L307 Y308M300-I304 HydrophobicContact CG-CD1 4.01Å; M300-I304 WeakPolarHBondContact O-CB 3.46Å; M300-I304 WeakPolarHBondContact O-CD1 3.47Å; M300-I304 WeakPolarHBondContact O-CG1 3.2Å; M300-I304 PolarHBondContact O-N 2.97Å; Q301-I304 PolarHBondContact O-N 3.41Å; N302-I304 VanDerWaalsContact C-N 3.31Å; N302-I304 PolarHBondContact O-N 2.92Å; I304-L307 PolarHBondContact O-N 2.94Å; I304-Y308 VanDerWaalsContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CB 3.37Å; I304-Y308 PolarHBondContact O-N 3.45Å
305A91.2Very high89.8Confident52 Ų52106.1 Ų106.143%0.4352%0.516SS..Hα-helixtrans-64.6-42.8177.200000112.1Q301 N302 Y308 E309Q301-A305 WeakPolarHBondContact O-CB 3.27Å; Q301-A305 PolarHBondContact O-N 2.84Å; N302-A305 PolarHBondContact O-N 3.18Å; A305-Y308 PolarHBondContact O-N 2.83Å; A305-E309 WeakPolarHBondContact O-CG 3.46Å; A305-E309 PolarHBondContact O-N 3.47Å
306E93.4Very high89.8Confident142 Ų142106.1 Ų106.166%0.66452%0.517SS*.Hα-helixtrans-62.3-45.1174.7-75-178.9-170.800111.9N302 K303 Y308 E309 L310N302-E306 WeakPolarHBondContact O-CG 3.44Å; N302-E306 PolarHBondContact O-N 2.83Å; K303-E306 PolarHBondContact O-N 3.41Å; E306-Y308 VanDerWaalsContact C-N 3.34Å; E306-E309 PolarHBondContact O-N 3.33Å; E306-L310 WeakPolarHBondContact O-CB 3.39Å; E306-L310 PolarHBondContact O-N 3.33Å
307L92.9Very high89.9Confident111 Ų111107.4 Ų107.458%0.58152%0.521SS*.Hα-helixtrans-63.8-40.4175.8-73175.4000111.5K303 I304 L310 V311K303-L307 WeakPolarHBondContact O-CB 3.43Å; K303-L307 VanDerWaalsContact O-CG 3.24Å; K303-L307 WeakPolarHBondContact O-CG 3.26Å; K303-L307 PolarHBondContact O-N 3.3Å; I304-L307 PolarHBondContact O-N 2.94Å; L307-L310 PolarHBondContact O-N 2.89Å; L307-V311 WeakPolarHBondContact O-CB 3.28Å; L307-V311 VanDerWaalsContact O-CG2 3.28Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.04Å
308Y91.6Very high89.9Confident155 Ų155105.6 Ų105.661%0.60852%0.518SS*.Hα-helixtrans-62.8-45.1176.4-176.9-94.4000111.6I304 A305 E306 L310 V311 K312I304-Y308 VanDerWaalsContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CB 3.37Å; I304-Y308 PolarHBondContact O-N 3.45Å; A305-Y308 PolarHBondContact O-N 2.83Å; E306-Y308 VanDerWaalsContact C-N 3.34Å; Y308-L310 VanDerWaalsContact C-N 3.34Å; Y308-L310 PolarHBondContact O-N 3.34Å; Y308-V311 PolarHBondContact O-N 3.48Å; Y308-K312 HydrophobicContact CE1-CD 4.46Å; Y308-K312 WeakPolarHBondContact O-CB 3.3Å; Y308-K312 PolarHBondContact O-N 3.36Å
309E92.8Very high89.8Confident88 Ų88104 Ų10441%0.41152%0.52SS..Hα-helixtrans-63.8-37.9175.5-76.9-62.4131.900112.3A305 E306 K312 K313A305-E309 WeakPolarHBondContact O-CG 3.46Å; A305-E309 PolarHBondContact O-N 3.47Å; E306-E309 PolarHBondContact O-N 3.33Å; E309-K312 PolarHBondContact O-N 3.39Å; E309-K313 VanDerWaalsContact O-CG 3.3Å; E309-K313 WeakPolarHBondContact O-CG 3.32Å; E309-K313 PolarHBondContact O-N 2.9Å
310L92.4Very high89.8Confident89 Ų89102.4 Ų102.447%0.46652%0.515SS..Hα-helixtrans-64.4-48.2174.6-175.661.2000111E306 L307 Y308 K312 K313 W314E306-L310 WeakPolarHBondContact O-CB 3.39Å; E306-L310 PolarHBondContact O-N 3.33Å; L307-L310 PolarHBondContact O-N 2.89Å; Y308-L310 VanDerWaalsContact C-N 3.34Å; Y308-L310 PolarHBondContact O-N 3.34Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.22Å; L310-K313 PolarHBondContact O-N 3.04Å; L310-W314 PolarHBondContact O-N 2.83Å
311V91.8Very high90Very high96 Ų96101.5 Ų101.558%0.58251%0.512SS*.Hα-helixtrans-60.7-41.2177.4169.70000111L307 Y308 W314 N315L307-V311 WeakPolarHBondContact O-CB 3.28Å; L307-V311 VanDerWaalsContact O-CG2 3.28Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.04Å; Y308-V311 PolarHBondContact O-N 3.48Å; V311-W314 CarbonylContact O-C 3.59Å; V311-W314 PolarHBondContact O-N 3.14Å; V311-N315 PolarHBondContact O-N 3.42Å
312K89.2Confident90Very high104 Ų10499.3 Ų99.345%0.45251%0.509SS..Hα-helixtrans-61.6-46.6177.2-173.7178.1177.3-174.10112.2Y308 E309 L310 W314 N315 D316Y308-K312 HydrophobicContact CE1-CD 4.46Å; Y308-K312 WeakPolarHBondContact O-CB 3.3Å; Y308-K312 PolarHBondContact O-N 3.36Å; E309-K312 PolarHBondContact O-N 3.39Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.22Å; K312-W314 VanDerWaalsContact C-N 3.28Å; K312-W314 PolarHBondContact O-N 3.31Å; K312-N315 WeakPolarHBondContact O-CB 3.42Å; K312-N315 PolarHBondContact O-N 2.86Å; K312-N315 VanDerWaalsContact O-N 3.14Å; K312-D316 PolarHBondContact O-N 3.34Å
313K87.6Confident89.8Confident134 Ų134102.2 Ų102.258%0.58352%0.522SS*.Hα-helixtrans-58.8-40174.4-71.6169.8-174.8173.90112E309 L310 V317E309-K313 VanDerWaalsContact O-CG 3.3Å; E309-K313 WeakPolarHBondContact O-CG 3.32Å; E309-K313 PolarHBondContact O-N 2.9Å; L310-K313 PolarHBondContact O-N 3.04Å; K313-V317 WeakPolarHBondContact O-CG2 3.44Å; K313-V317 PolarHBondContact O-N 3.18Å
314W89.2Confident89.8Confident168 Ų16899.4 Ų99.464%0.63651%0.512SS*.Hα-helixtrans-71.4-31.6176.5-80.1108.3000113.1L310 V311 K312 V317 A318L310-W314 PolarHBondContact O-N 2.83Å; V311-W314 CarbonylContact O-C 3.59Å; V311-W314 PolarHBondContact O-N 3.14Å; K312-W314 VanDerWaalsContact C-N 3.28Å; K312-W314 PolarHBondContact O-N 3.31Å; W314-V317 PolarHBondContact O-N 3.4Å; W314-A318 WeakPolarHBondContact O-CB 3.44Å; W314-A318 PolarHBondContact O-N 3.17Å
315N88.6Confident89.7Confident87 Ų8798.5 Ų98.547%0.46551%0.511SS..Hα-helixtrans-62.9-45.7175.4-165.981.5000111V311 K312 V317 A318 D319V311-N315 PolarHBondContact O-N 3.42Å; K312-N315 WeakPolarHBondContact O-CB 3.42Å; K312-N315 PolarHBondContact O-N 2.86Å; K312-N315 VanDerWaalsContact O-N 3.14Å; N315-V317 VanDerWaalsContact C-N 3.3Å; N315-V317 PolarHBondContact O-N 2.94Å; N315-A318 PolarHBondContact O-N 3.1Å; N315-A318 VanDerWaalsContact O-N 3.17Å; N315-D319 PolarHBondContact ND2-OD2 3.32Å; N315-D319 PolarHBondContact O-N 3.45Å
316D84.7Confident89.7Confident102 Ų102102.3 Ų102.355%0.54552%0.52SS..Hα-helixtrans-60.8-39.7176.5-64.6-20.3000111.9K312 S320K312-D316 PolarHBondContact O-N 3.34Å; D316-S320 PolarHBondContact O-N 3.36Å
317V85.2Confident89.6Confident71 Ų71104.3 Ų104.343%0.4352%0.522SS..Hα-helixtrans-69.7-41.6175.8175.40000111.1K313 W314 N315 D319 S320 L321K313-V317 WeakPolarHBondContact O-CG2 3.44Å; K313-V317 PolarHBondContact O-N 3.18Å; W314-V317 PolarHBondContact O-N 3.4Å; N315-V317 VanDerWaalsContact C-N 3.3Å; N315-V317 PolarHBondContact O-N 2.94Å; V317-D319 VanDerWaalsContact C-N 3.27Å; V317-D319 PolarHBondContact O-N 2.77Å; V317-S320 CarbonylContact O-C 3.54Å; V317-S320 PolarHBondContact O-N 3.44Å; V317-S320 VanDerWaalsContact O-N 3.1Å; V317-S320 PolarHBondContact O-OG 3.29Å; V317-L321 WeakPolarHBondContact O-CB 3.38Å; V317-L321 PolarHBondContact O-N 2.77Å
318A86.8Confident89.5Confident53 Ų53104.1 Ų104.144%0.43852%0.521SS..Hα-helixtrans-61.3-36.9178.500000111.6W314 N315 L321 P322W314-A318 WeakPolarHBondContact O-CB 3.44Å; W314-A318 PolarHBondContact O-N 3.17Å; N315-A318 PolarHBondContact O-N 3.1Å; N315-A318 VanDerWaalsContact O-N 3.17Å; A318-L321 PolarHBondContact O-N 2.9Å; A318-P322 WeakPolarHBondContact O-CD 3.07Å
319D86.9Confident89.5Confident111 Ų111100 Ų10059%0.59452%0.515SS*.Hα-helixtrans-67.3-36174.3-70.8-23.1000112N315 V317N315-D319 PolarHBondContact ND2-OD2 3.32Å; N315-D319 PolarHBondContact O-N 3.45Å; V317-D319 VanDerWaalsContact C-N 3.27Å; V317-D319 PolarHBondContact O-N 2.77Å
320S87.5Confident89.5Confident46 Ų4699.6 Ų99.632%0.32252%0.519SS..Hα-helixtrans-78.7-22.3177.776.70000114.2D316 V317 M323 I324D316-S320 PolarHBondContact O-N 3.36Å; V317-S320 CarbonylContact O-C 3.54Å; V317-S320 PolarHBondContact O-N 3.44Å; V317-S320 VanDerWaalsContact O-N 3.1Å; V317-S320 PolarHBondContact O-OG 3.29Å; S320-M323 WeakPolarHBondContact O-CB 3.2Å; S320-M323 PolarHBondContact O-N 3.18Å; S320-I324 WeakPolarHBondContact O-CG1 3.5Å; S320-I324 PolarHBondContact O-N 3.24Å; S320-I324 VanDerWaalsContact O-N 3.09Å
321L89.9Confident89.6Confident95 Ų9598.6 Ų98.650%0.49751%0.513SS..Hα-helixtrans-62.8-44.4-171.6-177.366000113.1V317 A318 M323 I324 V325V317-L321 WeakPolarHBondContact O-CB 3.38Å; V317-L321 PolarHBondContact O-N 2.77Å; A318-L321 PolarHBondContact O-N 2.9Å; L321-M323 VanDerWaalsContact C-N 3.31Å; L321-M323 PolarHBondContact O-N 3.09Å; L321-I324 PolarHBondContact O-N 2.9Å; L321-V325 HydrophobicContact CD1-CG2 4.34Å; L321-V325 HydrophobicContact CG-CG2 4.42Å; L321-V325 VanDerWaalsContact O-CG2 3.3Å; L321-V325 WeakPolarHBondContact O-CG2 3.48Å; L321-V325 PolarHBondContact O-N 2.88Å
322P90.5Very high89.5Confident83 Ų83101.7 Ų101.754%0.53952%0.519SS..Hα-helixtrans-56.5-42.2174.5-26.533.7000113.2A318 I324 V325 E326A318-P322 WeakPolarHBondContact O-CD 3.07Å; P322-I324 PolarHBondContact O-N 3.26Å; P322-V325 PolarHBondContact O-N 2.87Å; P322-E326 WeakPolarHBondContact O-CB 3.4Å; P322-E326 PolarHBondContact O-N 3.39Å
323M88Confident89.7Confident121 Ų12199.9 Ų99.960%0.59652%0.519SS*.Hα-helixtrans-64.9-40.7178.2-168.7-163.481.900111.3S320 L321 V325 E326 R327S320-M323 WeakPolarHBondContact O-CB 3.2Å; S320-M323 PolarHBondContact O-N 3.18Å; L321-M323 VanDerWaalsContact C-N 3.31Å; L321-M323 PolarHBondContact O-N 3.09Å; M323-V325 VanDerWaalsContact C-N 3.34Å; M323-E326 PolarHBondContact O-N 3.49Å; M323-R327 WeakPolarHBondContact O-CB 3.35Å; M323-R327 PolarHBondContact O-N 3.36Å
324I91.6Very high90Very high76 Ų7698.2 Ų98.239%0.3952%0.516SS..Hα-helixtrans-64.7-41.3176.1-65.2166.1000110.5S320 L321 P322 R327 L328S320-I324 WeakPolarHBondContact O-CG1 3.5Å; S320-I324 PolarHBondContact O-N 3.24Å; S320-I324 VanDerWaalsContact O-N 3.09Å; L321-I324 PolarHBondContact O-N 2.9Å; P322-I324 PolarHBondContact O-N 3.26Å; I324-R327 PolarHBondContact O-N 2.84Å; I324-L328 HydrophobicContact CG2-CD1 4.11Å; I324-L328 WeakPolarHBondContact O-CB 3.3Å; I324-L328 WeakPolarHBondContact O-CG 3.43Å; I324-L328 PolarHBondContact O-N 3.27Å
325V92.7Very high90.2Very high84 Ų8495.9 Ų95.951%0.50951%0.512SS..Hα-helixtrans-65.7-43177.5172.10000111.4L321 P322 M323 L328 S329L321-V325 HydrophobicContact CD1-CG2 4.34Å; L321-V325 HydrophobicContact CG-CG2 4.42Å; L321-V325 VanDerWaalsContact O-CG2 3.3Å; L321-V325 WeakPolarHBondContact O-CG2 3.48Å; L321-V325 PolarHBondContact O-N 2.88Å; P322-V325 PolarHBondContact O-N 2.87Å; M323-V325 VanDerWaalsContact C-N 3.34Å; V325-L328 PolarHBondContact O-N 3.38Å; V325-S329 WeakPolarHBondContact O-CB 3.41Å; V325-S329 PolarHBondContact O-N 2.94Å
326E90.5Very high90.4Very high133 Ų13396.9 Ų96.962%0.62151%0.514SS*.Hα-helixtrans-63.3-42.1175.1-173.4-180-177.400111.5P322 M323 L328 S329 T330P322-E326 WeakPolarHBondContact O-CB 3.4Å; P322-E326 PolarHBondContact O-N 3.39Å; M323-E326 PolarHBondContact O-N 3.49Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.27Å; E326-S329 WeakPolarHBondContact O-CB 3.5Å; E326-S329 PolarHBondContact O-N 3.47Å; E326-T330 WeakPolarHBondContact O-CG2 3.13Å; E326-T330 PolarHBondContact O-N 3.29Å; E326-T330 PolarHBondContact O-OG1 3.47Å
327R90.1Very high90.8Very high183 Ų18398.4 Ų98.469%0.69152%0.518SS*.Hα-helixtrans-62.8-38.9174.1-175.2171.6171.5177.6-3.1112.3M323 I324 T330 L331M323-R327 WeakPolarHBondContact O-CB 3.35Å; M323-R327 PolarHBondContact O-N 3.36Å; I324-R327 PolarHBondContact O-N 2.84Å; R327-T330 WeakPolarHBondContact CA-OG1 3.35Å; R327-T330 PolarHBondContact O-OG1 2.96Å; R327-L331 WeakPolarHBondContact O-CB 3.44Å; R327-L331 PolarHBondContact O-N 3.49Å
328L92.4Very high91.2Very high107 Ų10797.5 Ų97.556%0.5652%0.518SS*.Hα-helixtrans-69-36.8174.3-76.8168.5000112I324 V325 E326 K332I324-L328 HydrophobicContact CG2-CD1 4.11Å; I324-L328 WeakPolarHBondContact O-CB 3.3Å; I324-L328 WeakPolarHBondContact O-CG 3.43Å; I324-L328 PolarHBondContact O-N 3.27Å; V325-L328 PolarHBondContact O-N 3.38Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.27Å; L328-K332 VanDerWaalsContact O-CB 3.23Å; L328-K332 WeakPolarHBondContact O-CB 3.23Å; L328-K332 PolarHBondContact O-N 3.32Å
329S91.7Very high91.5Very high69 Ų6998.1 Ų98.148%0.48352%0.519SS..Hα-helixtrans-64.1-48.8176-175.10000111.5V325 E326 K332 S333V325-S329 WeakPolarHBondContact O-CB 3.41Å; V325-S329 PolarHBondContact O-N 2.94Å; E326-S329 WeakPolarHBondContact O-CB 3.5Å; E326-S329 PolarHBondContact O-N 3.47Å; S329-K332 WeakPolarHBondContact O-CB 3.44Å; S329-K332 PolarHBondContact O-N 3.04Å; S329-S333 PolarHBondContact O-N 2.82Å; S329-S333 PolarHBondContact O-OG 3.33Å
330T91.2Very high91.9Very high80 Ų8097.9 Ų97.949%0.49151%0.514SS..Hα-helixtrans-64-41.7175.849.90000111.9E326 R327 K332 S333 L334E326-T330 WeakPolarHBondContact O-CG2 3.13Å; E326-T330 PolarHBondContact O-N 3.29Å; E326-T330 PolarHBondContact O-OG1 3.47Å; R327-T330 WeakPolarHBondContact CA-OG1 3.35Å; R327-T330 PolarHBondContact O-OG1 2.96Å; T330-K332 VanDerWaalsContact C-N 3.34Å; T330-K332 PolarHBondContact O-N 3.22Å; T330-S333 PolarHBondContact O-N 2.82Å; T330-L334 PolarHBondContact O-N 3.09Å
331L94.5Very high92.2Very high68 Ų68102.4 Ų102.436%0.35653%0.528SS..Hα-helixtrans-66.1-36.2176-174.363.1000112.2R327 L334 H335R327-L331 WeakPolarHBondContact O-CB 3.44Å; R327-L331 PolarHBondContact O-N 3.49Å; L331-L334 HydrophobicContact CD1-CD2 4.25Å; L331-L334 PolarHBondContact O-N 2.93Å; L331-H335 WeakPolarHBondContact O-CB 3.45Å; L331-H335 PolarHBondContact O-CD2 3.18Å; L331-H335 PolarHBondContact O-N 2.88Å
332K91.6Very high92.5Very high161 Ų161100 Ų10070%0.752%0.52SS*.Hα-helixtrans-60.7-47.1172.5178.5-172.1174.8-174.20110.6L328 S329 T330 L334 H335 E336L328-K332 VanDerWaalsContact O-CB 3.23Å; L328-K332 WeakPolarHBondContact O-CB 3.23Å; L328-K332 PolarHBondContact O-N 3.32Å; S329-K332 WeakPolarHBondContact O-CB 3.44Å; S329-K332 PolarHBondContact O-N 3.04Å; T330-K332 VanDerWaalsContact C-N 3.34Å; T330-K332 PolarHBondContact O-N 3.22Å; K332-L334 VanDerWaalsContact C-N 3.33Å; K332-L334 PolarHBondContact O-N 2.96Å; K332-H335 PolarHBondContact O-N 3.46Å; K332-E336 PolarHBondContact O-N 2.94Å
333S91.8Very high92.7Very high66 Ų66101.6 Ų101.646%0.46252%0.52SS..Hα-helixtrans-60.5-42.8175.6-61.50000111.7S329 T330 H335 E336 E337S329-S333 PolarHBondContact O-N 2.82Å; S329-S333 PolarHBondContact O-OG 3.33Å; T330-S333 PolarHBondContact O-N 2.82Å; S333-H335 PolarHBondContact O-N 3.49Å; S333-E336 WeakPolarHBondContact O-CB 3.49Å; S333-E336 PolarHBondContact O-N 3.5Å; S333-E337 PolarHBondContact O-N 3.41Å
334L94Very high93.1Very high98 Ų9898.8 Ų98.851%0.51351%0.512SS..Hα-helixtrans-63.8-40.2175.9-176.966.1000112.5T330 L331 K332 E336 E337 A338T330-L334 PolarHBondContact O-N 3.09Å; L331-L334 HydrophobicContact CD1-CD2 4.25Å; L331-L334 PolarHBondContact O-N 2.93Å; K332-L334 VanDerWaalsContact C-N 3.33Å; K332-L334 PolarHBondContact O-N 2.96Å; L334-E336 VanDerWaalsContact C-N 3.33Å; L334-E337 PolarHBondContact O-N 2.91Å; L334-A338 VanDerWaalsContact O-CB 3.31Å; L334-A338 WeakPolarHBondContact O-CB 3.42Å; L334-A338 PolarHBondContact O-N 2.84Å
335H93.5Very high93.3Very high119 Ų11999.5 Ų99.555%0.55152%0.516SS*.Hα-helixtrans-66-36.7175.9-81.5-41.6000112.2L331 K332 S333 S339L331-H335 WeakPolarHBondContact O-CB 3.45Å; L331-H335 PolarHBondContact O-CD2 3.18Å; L331-H335 PolarHBondContact O-N 2.88Å; K332-H335 PolarHBondContact O-N 3.46Å; S333-H335 PolarHBondContact O-N 3.49Å; H335-S339 VanDerWaalsContact O-CB 3.3Å; H335-S339 WeakPolarHBondContact O-CB 3.4Å; H335-S339 PolarHBondContact O-N 2.93Å
336E94.2Very high93.5Very high108 Ų108103.5 Ų103.551%0.50552%0.522SS..Hα-helixtrans-63.6-48.3172.5-173.459.8-147.100110.6K332 S333 L334 A338 S339 Q340K332-E336 PolarHBondContact O-N 2.94Å; S333-E336 WeakPolarHBondContact O-CB 3.49Å; S333-E336 PolarHBondContact O-N 3.5Å; L334-E336 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.28Å; E336-S339 WeakPolarHBondContact O-CB 3.3Å; E336-S339 PolarHBondContact O-N 3.27Å; E336-Q340 VanDerWaalsContact O-CG 3.29Å; E336-Q340 WeakPolarHBondContact O-CG 3.4Å; E336-Q340 PolarHBondContact O-N 3.47Å; E336-Q340 PolarHBondContact OE1-NE2 2.92Å; E336-Q340 VanDerWaalsContact OE1-NE2 3.09Å
337E93Very high93.7Very high135 Ų135101.5 Ų101.563%0.63152%0.519SS*.Hα-helixtrans-60.2-42.5176.2-73.8-179.6-173.300112.5S333 L334 S339 Q340 F341S333-E337 PolarHBondContact O-N 3.41Å; L334-E337 PolarHBondContact O-N 2.91Å; E337-S339 VanDerWaalsContact C-N 3.34Å; E337-S339 PolarHBondContact O-N 2.98Å; E337-Q340 PolarHBondContact O-N 2.92Å; E337-F341 WeakPolarHBondContact O-CB 3.31Å; E337-F341 PolarHBondContact O-N 3.35Å
338A93.8Very high94Very high51 Ų5197.1 Ų97.142%0.42151%0.508SS..Hα-helixtrans-65.4-36.9176.600000112.2L334 E336 F341 S342L334-A338 VanDerWaalsContact O-CB 3.31Å; L334-A338 WeakPolarHBondContact O-CB 3.42Å; L334-A338 PolarHBondContact O-N 2.84Å; E336-A338 PolarHBondContact O-N 3.28Å; A338-F341 PolarHBondContact O-N 3.49Å; A338-S342 WeakPolarHBondContact O-CB 3.29Å; A338-S342 PolarHBondContact O-N 3.37Å
339S92.3Very high94.3Very high67 Ų6798.1 Ų98.147%0.46951%0.51SS..Hα-helixtrans-63.7-47.7173.9-172.10000111H335 E336 E337 F341 S342 Q343H335-S339 VanDerWaalsContact O-CB 3.3Å; H335-S339 WeakPolarHBondContact O-CB 3.4Å; H335-S339 PolarHBondContact O-N 2.93Å; E336-S339 WeakPolarHBondContact O-CB 3.3Å; E336-S339 PolarHBondContact O-N 3.27Å; E337-S339 VanDerWaalsContact C-N 3.34Å; E337-S339 PolarHBondContact O-N 2.98Å; S339-F341 PolarHBondContact O-N 3.27Å; S339-S342 PolarHBondContact O-N 3.45Å; S339-Q343 PolarHBondContact O-N 3.36Å
340Q94.3Very high94.5Very high105 Ų10598 Ų9849%0.49151%0.51SS..Hα-helixtrans-61.8-42.5176.2-65.9-67-11.300111.9E336 E337 Q343 S344E336-Q340 VanDerWaalsContact O-CG 3.29Å; E336-Q340 WeakPolarHBondContact O-CG 3.4Å; E336-Q340 PolarHBondContact O-N 3.47Å; E336-Q340 PolarHBondContact OE1-NE2 2.92Å; E336-Q340 VanDerWaalsContact OE1-NE2 3.09Å; E337-Q340 PolarHBondContact O-N 2.92Å; Q340-Q343 PolarHBondContact O-N 2.79Å; Q340-S344 WeakPolarHBondContact O-CB 3.4Å; Q340-S344 PolarHBondContact O-N 3.46Å
341F95.4Very high94.7Very high142 Ų14297.1 Ų97.162%0.62351%0.507SS*.Hα-helixtrans-62.7-44.7175.7178.8-100000111.8E337 A338 S339 Q343 S344 L345E337-F341 WeakPolarHBondContact O-CB 3.31Å; E337-F341 PolarHBondContact O-N 3.35Å; A338-F341 PolarHBondContact O-N 3.49Å; S339-F341 PolarHBondContact O-N 3.27Å; F341-Q343 VanDerWaalsContact C-N 3.28Å; F341-Q343 PolarHBondContact O-N 2.95Å; F341-S344 PolarHBondContact O-N 3.03Å; F341-L345 WeakPolarHBondContact O-CB 3.38Å; F341-L345 PolarHBondContact O-N 3.44Å
342S95.6Very high94.8Very high45 Ų45100 Ų10032%0.31552%0.518SS..Hα-helixtrans-60.1-39.3175.7-1720000111.8A338 S339 L345 R346A338-S342 WeakPolarHBondContact O-CB 3.29Å; A338-S342 PolarHBondContact O-N 3.37Å; S339-S342 PolarHBondContact O-N 3.45Å; S342-L345 PolarHBondContact O-N 3.22Å; S342-R346 WeakPolarHBondContact O-CG 3.36Å; S342-R346 PolarHBondContact O-N 2.98Å
343Q94.1Very high95.1Very high116 Ų11699.6 Ų99.654%0.54252%0.517SS..Hα-helixtrans-69.9-39.3176.7-171.2158.3-3.100112.8S339 Q340 F341 R346 T347S339-Q343 PolarHBondContact O-N 3.36Å; Q340-Q343 PolarHBondContact O-N 2.79Å; F341-Q343 VanDerWaalsContact C-N 3.28Å; F341-Q343 PolarHBondContact O-N 2.95Å; Q343-R346 PolarHBondContact O-N 3.43Å; Q343-T347 PolarHBondContact O-N 2.87Å; Q343-T347 VanDerWaalsContact O-N 3.09Å; Q343-T347 PolarHBondContact O-OG1 3.09Å
344S95.9Very high95.3Very high62 Ų62101.4 Ų101.443%0.43452%0.521SS..Hα-helixtrans-62.5-44.2172.2-1730000111.4Q340 F341 R346 T347 I348Q340-S344 WeakPolarHBondContact O-CB 3.4Å; Q340-S344 PolarHBondContact O-N 3.46Å; F341-S344 PolarHBondContact O-N 3.03Å; S344-R346 PolarHBondContact O-N 3.49Å; S344-T347 WeakPolarHBondContact O-CA 3.48Å; S344-T347 WeakPolarHBondContact O-CB 3.47Å; S344-T347 PolarHBondContact O-N 3.07Å; S344-I348 WeakPolarHBondContact O-CG1 3.38Å; S344-I348 PolarHBondContact O-N 3.27Å
345L96.8Very high95.4Very high91 Ų91101.4 Ų101.448%0.47653%0.525SS..Hα-helixtrans-60.7-44.4177.1-174.765.8000111.8F341 S342 T347 I348 E349F341-L345 WeakPolarHBondContact O-CB 3.38Å; F341-L345 PolarHBondContact O-N 3.44Å; S342-L345 PolarHBondContact O-N 3.22Å; L345-T347 VanDerWaalsContact C-N 3.25Å; L345-T347 PolarHBondContact O-N 3.25Å; L345-I348 PolarHBondContact O-N 3.37Å; L345-E349 WeakPolarHBondContact O-CB 3.32Å; L345-E349 PolarHBondContact O-N 2.81Å
346R95.8Very high95.6Very high167 Ų167101.5 Ų101.563%0.6353%0.525SS*.Hα-helixtrans-61.1-35.5174-73.6179.9-170.8145.44.2112.5S342 Q343 S344 S350S342-R346 WeakPolarHBondContact O-CG 3.36Å; S342-R346 PolarHBondContact O-N 2.98Å; Q343-R346 PolarHBondContact O-N 3.43Å; S344-R346 PolarHBondContact O-N 3.49Å; R346-S350 WeakPolarHBondContact O-CB 3.44Å; R346-S350 PolarHBondContact O-N 2.85Å
347T96Very high95.7Very high92 Ų9298.3 Ų98.356%0.56452%0.522SS*.Hα-helixtrans-68.2-41.5177.2-54.40000110.9Q343 S344 L345 S350 S351Q343-T347 PolarHBondContact O-N 2.87Å; Q343-T347 VanDerWaalsContact O-N 3.09Å; Q343-T347 PolarHBondContact O-OG1 3.09Å; S344-T347 WeakPolarHBondContact O-CA 3.48Å; S344-T347 WeakPolarHBondContact O-CB 3.47Å; S344-T347 PolarHBondContact O-N 3.07Å; L345-T347 VanDerWaalsContact C-N 3.25Å; L345-T347 PolarHBondContact O-N 3.25Å; T347-S350 PolarHBondContact O-N 2.84Å; T347-S351 PolarHBondContact O-N 3.44Å
348I97Very high95.8Very high90 Ų9094.4 Ų94.446%0.46251%0.51SS..Hα-helixtrans-68-41.9175-67171.2000111.3S344 L345 S350 S351 Q352S344-I348 WeakPolarHBondContact O-CG1 3.38Å; S344-I348 PolarHBondContact O-N 3.27Å; L345-I348 PolarHBondContact O-N 3.37Å; I348-S350 VanDerWaalsContact C-N 3.31Å; I348-S350 PolarHBondContact O-N 2.91Å; I348-S351 WeakPolarHBondContact CA-OG 3.48Å; I348-S351 PolarHBondContact O-N 2.89Å; I348-S351 PolarHBondContact O-OG 3.27Å; I348-Q352 VanDerWaalsContact O-CB 3.29Å; I348-Q352 WeakPolarHBondContact O-CB 3.36Å; I348-Q352 PolarHBondContact O-N 3.26Å
349E97.1Very high95.9Very high128 Ų12897.1 Ų97.160%0.59852%0.516SS*.Hα-helixtrans-61.3-42.4176.3-172.6-173.7177.400111L345 Q352 K353L345-E349 WeakPolarHBondContact O-CB 3.32Å; L345-E349 PolarHBondContact O-N 2.81Å; E349-Q352 PolarHBondContact O-N 2.91Å; E349-K353 WeakPolarHBondContact O-CB 3.49Å; E349-K353 PolarHBondContact O-N 2.91Å
350S96.6Very high96.1Very high67 Ų6796.8 Ų96.847%0.46951%0.514SS..Hα-helixtrans-62-44.5174.1-175.60000112R346 T347 I348 K353 N354R346-S350 WeakPolarHBondContact O-CB 3.44Å; R346-S350 PolarHBondContact O-N 2.85Å; T347-S350 PolarHBondContact O-N 2.84Å; I348-S350 VanDerWaalsContact C-N 3.31Å; I348-S350 PolarHBondContact O-N 2.91Å; S350-K353 PolarHBondContact O-N 3.23Å; S350-N354 VanDerWaalsContact O-CG 3.27Å; S350-N354 PolarHBondContact O-N 3Å; S350-N354 PolarHBondContact O-ND2 2.87Å
351S96.1Very high96.2Very high61 Ų6194.8 Ų94.843%0.42751%0.511SS..Hα-helixtrans-67.1-39.1177.373.70000112.1T347 I348 N354 V355T347-S351 PolarHBondContact O-N 3.44Å; I348-S351 WeakPolarHBondContact CA-OG 3.48Å; I348-S351 PolarHBondContact O-N 2.89Å; I348-S351 PolarHBondContact O-OG 3.27Å; S351-N354 WeakPolarHBondContact O-CB 3.41Å; S351-N354 PolarHBondContact O-N 3.49Å; S351-V355 WeakPolarHBondContact O-CG2 3.39Å; S351-V355 PolarHBondContact O-N 3.4Å
352Q96.7Very high96.2Very high128 Ų12894.8 Ų94.860%0.59851%0.508SS*.Hα-helixtrans-63-44.9175.4-178.8170-2000111.3I348 E349 N354 V355 E356I348-Q352 VanDerWaalsContact O-CB 3.29Å; I348-Q352 WeakPolarHBondContact O-CB 3.36Å; I348-Q352 PolarHBondContact O-N 3.26Å; E349-Q352 PolarHBondContact O-N 2.91Å; Q352-N354 VanDerWaalsContact C-N 3.3Å; Q352-N354 PolarHBondContact O-N 3.02Å; Q352-V355 PolarHBondContact O-N 2.91Å; Q352-V355 VanDerWaalsContact O-N 3.17Å; Q352-E356 WeakPolarHBondContact O-CB 3.29Å; Q352-E356 PolarHBondContact O-N 2.79Å
353K96.6Very high96.3Very high154 Ų15496.5 Ų96.567%0.6752%0.517SS*.Hα-helixtrans-62.3-37.2175.5-171.1174.5-176.3173.80112.2E349 S350 G357E349-K353 WeakPolarHBondContact O-CB 3.49Å; E349-K353 PolarHBondContact O-N 2.91Å; S350-K353 PolarHBondContact O-N 3.23Å; K353-G357 PolarHBondContact O-N 2.98Å
354N96.6Very high96.3Very high104 Ų10498.1 Ų98.156%0.55652%0.522SS*.Hα-helixtrans-66.4-40.4173.9-72.6-25.9000112.2S350 S351 Q352 G357 S358S350-N354 VanDerWaalsContact O-CG 3.27Å; S350-N354 PolarHBondContact O-N 3Å; S350-N354 PolarHBondContact O-ND2 2.87Å; S351-N354 WeakPolarHBondContact O-CB 3.41Å; S351-N354 PolarHBondContact O-N 3.49Å; Q352-N354 VanDerWaalsContact C-N 3.3Å; Q352-N354 PolarHBondContact O-N 3.02Å; N354-G357 PolarHBondContact O-N 3.17Å; N354-S358 WeakPolarHBondContact O-CB 3.5Å; N354-S358 PolarHBondContact O-N 3.4Å; N354-S358 PolarHBondContact O-OG 3.13Å
355V96.6Very high96.3Very high97 Ų97100 Ų10059%0.58853%0.527SS*.Hα-helixtrans-66.9-42.7175.9170.80000110.9S351 Q352 S358 L359S351-V355 WeakPolarHBondContact O-CG2 3.39Å; S351-V355 PolarHBondContact O-N 3.4Å; Q352-V355 PolarHBondContact O-N 2.91Å; Q352-V355 VanDerWaalsContact O-N 3.17Å; V355-S358 CarbonylContact O-C 3.56Å; V355-S358 WeakPolarHBondContact O-CB 3.14Å; V355-S358 PolarHBondContact O-N 2.64Å; V355-L359 WeakPolarHBondContact O-CB 3.43Å; V355-L359 PolarHBondContact O-N 2.98Å
356E97.2Very high96.2Very high121 Ų121101.1 Ų101.157%0.56553%0.533SS*.Hα-helixtrans-63.6-41.7176-175.4178.4-175.900111.8Q352 S358 L359 S360Q352-E356 WeakPolarHBondContact O-CB 3.29Å; Q352-E356 PolarHBondContact O-N 2.79Å; E356-S358 VanDerWaalsContact C-N 3.35Å; E356-L359 PolarHBondContact O-N 3.36Å; E356-S360 WeakPolarHBondContact O-CB 3.47Å; E356-S360 PolarHBondContact O-N 2.82Å; E356-S360 PolarHBondContact O-OG 2.86Å
357G96.2Very high96.2Very high42 Ų4298.5 Ų98.543%0.43353%0.528SS..Hα-helixtrans-61.7-42.2172.100000112.3K353 N354 S360 S361K353-G357 PolarHBondContact O-N 2.98Å; N354-G357 PolarHBondContact O-N 3.17Å; G357-S360 PolarHBondContact O-N 2.77Å; G357-S361 PolarHBondContact O-N 2.9Å
358S95.7Very high96.2Very high53 Ų5399.8 Ų99.837%0.37153%0.527SS..Hα-helixtrans-64.3-44.7174.9-57.60000111.5N354 V355 E356 S360 S361 Y362N354-S358 WeakPolarHBondContact O-CB 3.5Å; N354-S358 PolarHBondContact O-N 3.4Å; N354-S358 PolarHBondContact O-OG 3.13Å; V355-S358 CarbonylContact O-C 3.56Å; V355-S358 WeakPolarHBondContact O-CB 3.14Å; V355-S358 PolarHBondContact O-N 2.64Å; E356-S358 VanDerWaalsContact C-N 3.35Å; S358-S360 PolarHBondContact O-N 2.8Å; S358-S361 WeakPolarHBondContact CA-OG 3.4Å; S358-S361 PolarHBondContact O-N 3.23Å; S358-S361 VanDerWaalsContact O-N 3.13Å; S358-S361 PolarHBondContact O-OG 3.44Å; S358-Y362 WeakPolarHBondContact O-CD2 3.42Å; S358-Y362 PolarHBondContact O-N 3.35Å
359L95.9Very high96.1Very high107 Ų10799.3 Ų99.356%0.5653%0.529SS*.Hα-helixtrans-61.5-45177.2-17563.9000111V355 E356 S361 Y362 T363V355-L359 WeakPolarHBondContact O-CB 3.43Å; V355-L359 PolarHBondContact O-N 2.98Å; E356-L359 PolarHBondContact O-N 3.36Å; L359-S361 VanDerWaalsContact C-N 3.28Å; L359-S361 PolarHBondContact O-N 3.13Å; L359-Y362 CarbonylContact O-C 3.09Å; L359-Y362 PolarHBondContact O-N 2.99Å; L359-Y362 VanDerWaalsContact O-N 3.11Å; L359-T363 PolarHBondContact O-N 3.45Å; L359-T363 PolarHBondContact O-OG1 2.9Å
360S96.1Very high96.1Very high60 Ų6098.9 Ų98.942%0.4253%0.526SS..Hα-helixtrans-59-39.3174.3-65.20000112.1E356 G357 S358 K364E356-S360 WeakPolarHBondContact O-CB 3.47Å; E356-S360 PolarHBondContact O-N 2.82Å; E356-S360 PolarHBondContact O-OG 2.86Å; G357-S360 PolarHBondContact O-N 2.77Å; S358-S360 PolarHBondContact O-N 2.8Å; S360-K364 WeakPolarHBondContact O-CG 3.46Å; S360-K364 PolarHBondContact O-N 3.35Å; S360-K364 VanDerWaalsContact O-N 3.13Å
361S96Very high96Very high63 Ų6399.2 Ų99.244%0.44152%0.523SS..Hα-helixtrans-67.6-38.9174.775.50000112.4G357 S358 L359 K364 L365G357-S361 PolarHBondContact O-N 2.9Å; S358-S361 WeakPolarHBondContact CA-OG 3.4Å; S358-S361 PolarHBondContact O-N 3.23Å; S358-S361 VanDerWaalsContact O-N 3.13Å; S358-S361 PolarHBondContact O-OG 3.44Å; L359-S361 VanDerWaalsContact C-N 3.28Å; L359-S361 PolarHBondContact O-N 3.13Å; S361-K364 PolarHBondContact O-N 3.49Å; S361-L365 WeakPolarHBondContact O-CB 3.45Å; S361-L365 PolarHBondContact O-N 3.16Å
362Y95.9Very high96Very high143 Ų14399.8 Ų99.856%0.56152%0.521SS*.Hα-helixtrans-68.4-38.3175.6-68.2-47000112.7S358 L359 L365 L366S358-Y362 WeakPolarHBondContact O-CD2 3.42Å; S358-Y362 PolarHBondContact O-N 3.35Å; L359-Y362 CarbonylContact O-C 3.09Å; L359-Y362 PolarHBondContact O-N 2.99Å; L359-Y362 VanDerWaalsContact O-N 3.11Å; Y362-L365 PolarHBondContact O-N 3.37Å; Y362-L366 WeakPolarHBondContact O-CB 3.37Å; Y362-L366 WeakPolarHBondContact O-CG 3.41Å; Y362-L366 PolarHBondContact O-N 3.47Å
363T96.7Very high95.9Very high80 Ų8098.5 Ų98.549%0.49152%0.518SS..Hα-helixtrans-63.3-43.7175.3-54.40000110.8L359 L366 E367L359-T363 PolarHBondContact O-N 3.45Å; L359-T363 PolarHBondContact O-OG1 2.9Å; T363-L366 PolarHBondContact O-N 3.31Å; T363-E367 WeakPolarHBondContact O-CB 3.45Å; T363-E367 PolarHBondContact O-N 2.96Å
364K95.7Very high95.9Very high150 Ų15095.2 Ų95.265%0.65251%0.507SS*.Hα-helixtrans-61.6-43.5173.9-72.6176.6-178.5-179.30112.1S360 S361 L366 E367 E368S360-K364 WeakPolarHBondContact O-CG 3.46Å; S360-K364 PolarHBondContact O-N 3.35Å; S360-K364 VanDerWaalsContact O-N 3.13Å; S361-K364 PolarHBondContact O-N 3.49Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 2.81Å; K364-E367 PolarHBondContact O-N 2.83Å; K364-E368 WeakPolarHBondContact O-CB 3.37Å; K364-E368 PolarHBondContact O-N 3.11Å
365L95.5Very high95.8Very high101 Ų10196.3 Ų96.353%0.52951%0.507SS..Hα-helixtrans-61.8-42.8176.3-169.782000111.4S361 Y362 E368 V369S361-L365 WeakPolarHBondContact O-CB 3.45Å; S361-L365 PolarHBondContact O-N 3.16Å; Y362-L365 PolarHBondContact O-N 3.37Å; L365-E368 PolarHBondContact O-N 3.16Å; L365-V369 WeakPolarHBondContact O-CB 3.47Å; L365-V369 VanDerWaalsContact O-CG2 3.25Å; L365-V369 WeakPolarHBondContact O-CG2 3.38Å; L365-V369 PolarHBondContact O-N 3.47Å
366L95.1Very high95.6Very high116 Ų11696.5 Ų96.561%0.60750%0.504SS*.Hα-helixtrans-65.4-40.8177.2-83.7163.4000112.1Y362 T363 K364 V369 Q370Y362-L366 WeakPolarHBondContact O-CB 3.37Å; Y362-L366 WeakPolarHBondContact O-CG 3.41Å; Y362-L366 PolarHBondContact O-N 3.47Å; T363-L366 PolarHBondContact O-N 3.31Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 2.81Å; L366-V369 PolarHBondContact O-N 3.35Å; L366-Q370 VanDerWaalsContact O-CB 3.3Å; L366-Q370 WeakPolarHBondContact O-CB 3.32Å; L366-Q370 PolarHBondContact O-N 2.85Å
367E95.8Very high95.4Very high112 Ų11296.1 Ų96.152%0.52350%0.504SS..Hα-helixtrans-65-40.4175.1-171.2177.1-174.300111.3T363 K364 Q370 N371T363-E367 WeakPolarHBondContact O-CB 3.45Å; T363-E367 PolarHBondContact O-N 2.96Å; K364-E367 PolarHBondContact O-N 2.83Å; E367-Q370 PolarHBondContact O-N 2.89Å; E367-N371 WeakPolarHBondContact O-CB 3.3Å; E367-N371 VanDerWaalsContact O-CG 3.23Å; E367-N371 PolarHBondContact O-N 3.3Å; E367-N371 PolarHBondContact O-ND2 3.41Å; E367-N371 VanDerWaalsContact O-ND2 3.16Å
368E95.6Very high95.3Very high118 Ų11899.7 Ų99.755%0.55151%0.509SS*.Hα-helixtrans-62.1-44.9172.7-173.2178.4176.300111.6K364 L365 N371 N372K364-E368 WeakPolarHBondContact O-CB 3.37Å; K364-E368 PolarHBondContact O-N 3.11Å; L365-E368 PolarHBondContact O-N 3.16Å; E368-N371 PolarHBondContact O-N 2.89Å; E368-N372 WeakPolarHBondContact O-CB 3.25Å; E368-N372 VanDerWaalsContact O-CG 3.29Å; E368-N372 PolarHBondContact O-N 3.34Å; E368-N372 PolarHBondContact O-ND2 2.92Å; E368-N372 VanDerWaalsContact O-ND2 3.16Å
369V95.7Very high95.2Very high81 Ų81100.9 Ų100.949%0.49151%0.514SS..Hα-helixtrans-63.2-42.9175.3169.50000111.3L365 L366 N372 L373L365-V369 WeakPolarHBondContact O-CB 3.47Å; L365-V369 VanDerWaalsContact O-CG2 3.25Å; L365-V369 WeakPolarHBondContact O-CG2 3.38Å; L365-V369 PolarHBondContact O-N 3.47Å; L366-V369 PolarHBondContact O-N 3.35Å; V369-N372 PolarHBondContact O-N 2.87Å; V369-L373 WeakPolarHBondContact O-CB 3.36Å; V369-L373 PolarHBondContact O-N 3.42Å
370Q95.4Very high95Very high118 Ų118100.2 Ų100.255%0.55151%0.51SS*.Hα-helixtrans-62.4-46.6176.7179179.5-20.900111.1L366 E367 N372 L373 I374L366-Q370 VanDerWaalsContact O-CB 3.3Å; L366-Q370 WeakPolarHBondContact O-CB 3.32Å; L366-Q370 PolarHBondContact O-N 2.85Å; E367-Q370 PolarHBondContact O-N 2.89Å; Q370-N372 VanDerWaalsContact C-N 3.33Å; Q370-N372 PolarHBondContact O-N 3.37Å; Q370-L373 PolarHBondContact O-N 3.22Å; Q370-L373 VanDerWaalsContact O-N 3.16Å; Q370-I374 HydrophobicContact CG-CD1 4.02Å; Q370-I374 WeakPolarHBondContact O-CG1 3.28Å; Q370-I374 PolarHBondContact O-N 3.32Å
371N95.7Very high94.8Very high74 Ų74104.1 Ų104.140%0.39652%0.52SS..Hα-helixtrans-62.5-40.9177.1-75.4-31.2000111.6E367 E368 L373 I374 K375E367-N371 WeakPolarHBondContact O-CB 3.3Å; E367-N371 VanDerWaalsContact O-CG 3.23Å; E367-N371 PolarHBondContact O-N 3.3Å; E367-N371 PolarHBondContact O-ND2 3.41Å; E367-N371 VanDerWaalsContact O-ND2 3.16Å; E368-N371 PolarHBondContact O-N 2.89Å; N371-L373 VanDerWaalsContact C-N 3.34Å; N371-I374 PolarHBondContact O-N 3.45Å; N371-K375 WeakPolarHBondContact O-CB 3.49Å; N371-K375 VanDerWaalsContact O-CG 3.3Å; N371-K375 WeakPolarHBondContact O-CG 3.35Å; N371-K375 PolarHBondContact O-N 2.92Å
372N95Very high94.6Very high73 Ų73105.3 Ų105.339%0.3952%0.521SS..Hα-helixtrans-64.3-38173.8-76.2-32.7000111.9E368 V369 Q370 N376E368-N372 WeakPolarHBondContact O-CB 3.25Å; E368-N372 VanDerWaalsContact O-CG 3.29Å; E368-N372 PolarHBondContact O-N 3.34Å; E368-N372 PolarHBondContact O-ND2 2.92Å; E368-N372 VanDerWaalsContact O-ND2 3.16Å; V369-N372 PolarHBondContact O-N 2.87Å; Q370-N372 VanDerWaalsContact C-N 3.33Å; Q370-N372 PolarHBondContact O-N 3.37Å; N372-N376 WeakPolarHBondContact O-CB 3.3Å; N372-N376 PolarHBondContact O-N 2.87Å; N372-N376 PolarHBondContact O-ND2 2.79Å
373L95.4Very high94.3Very high101 Ų101102.8 Ų102.853%0.52952%0.518SS..Hα-helixtrans-68-43.8176.5-168155.3000111.8V369 Q370 N371 N376 M377V369-L373 WeakPolarHBondContact O-CB 3.36Å; V369-L373 PolarHBondContact O-N 3.42Å; Q370-L373 PolarHBondContact O-N 3.22Å; Q370-L373 VanDerWaalsContact O-N 3.16Å; N371-L373 VanDerWaalsContact C-N 3.34Å; L373-N376 PolarHBondContact O-N 3.16Å; L373-M377 HydrophobicContact CD2-CG 3.76Å; L373-M377 WeakPolarHBondContact O-CB 3.47Å; L373-M377 WeakPolarHBondContact O-CG 3.49Å; L373-M377 PolarHBondContact O-N 3.37Å
374I95.5Very high93.9Very high85 Ų85105.6 Ų105.644%0.43652%0.523SS..Hα-helixtrans-59.8-48.1176.3-68.7167.8000110.1Q370 N371 N376 M377 E378Q370-I374 HydrophobicContact CG-CD1 4.02Å; Q370-I374 WeakPolarHBondContact O-CG1 3.28Å; Q370-I374 PolarHBondContact O-N 3.32Å; N371-I374 PolarHBondContact O-N 3.45Å; I374-N376 VanDerWaalsContact C-N 3.33Å; I374-N376 PolarHBondContact O-N 2.86Å; I374-M377 PolarHBondContact O-N 3.29Å; I374-E378 PolarHBondContact O-N 3.46Å
375K94.4Very high93.3Very high127 Ų127101.7 Ų101.755%0.55251%0.512SS*.Hα-helixtrans-58.1-44.8174.8-72.7174.2-176.6176.60111.7N371 M377 E378 V379N371-K375 WeakPolarHBondContact O-CB 3.49Å; N371-K375 VanDerWaalsContact O-CG 3.3Å; N371-K375 WeakPolarHBondContact O-CG 3.35Å; N371-K375 PolarHBondContact O-N 2.92Å; K375-M377 VanDerWaalsContact C-N 3.33Å; K375-M377 PolarHBondContact O-N 3.02Å; K375-E378 PolarHBondContact O-N 3.34Å; K375-V379 VanDerWaalsContact O-CG2 3.28Å; K375-V379 WeakPolarHBondContact O-CG2 3.22Å; K375-V379 PolarHBondContact O-N 3.47Å
376N93Very high92.8Very high101 Ų101100.5 Ų100.554%0.5451%0.509SS..Hα-helixtrans-63.6-38.3177.1-73.8-16.1000112.2N372 L373 I374 V379 I380N372-N376 WeakPolarHBondContact O-CB 3.3Å; N372-N376 PolarHBondContact O-N 2.87Å; N372-N376 PolarHBondContact O-ND2 2.79Å; L373-N376 PolarHBondContact O-N 3.16Å; I374-N376 VanDerWaalsContact C-N 3.33Å; I374-N376 PolarHBondContact O-N 2.86Å; N376-V379 PolarHBondContact O-N 3.43Å; N376-I380 VanDerWaalsContact O-CG1 3.22Å; N376-I380 WeakPolarHBondContact O-CG1 3.41Å; N376-I380 PolarHBondContact O-N 2.84Å
377M92.9Very high92.2Very high113 Ų11399.6 Ų99.656%0.55750%0.504SS*.Hα-helixtrans-68.8-37.8176.4-76-66.1-75.700112.2L373 I374 K375 I380 K381L373-M377 HydrophobicContact CD2-CG 3.76Å; L373-M377 WeakPolarHBondContact O-CB 3.47Å; L373-M377 WeakPolarHBondContact O-CG 3.49Å; L373-M377 PolarHBondContact O-N 3.37Å; I374-M377 PolarHBondContact O-N 3.29Å; K375-M377 VanDerWaalsContact C-N 3.33Å; K375-M377 PolarHBondContact O-N 3.02Å; M377-I380 PolarHBondContact O-N 3.17Å; M377-I380 HydrophobicContact SD-CD1 4.28Å; M377-K381 WeakPolarHBondContact O-CB 3.36Å; M377-K381 PolarHBondContact O-N 2.86Å
378E93.8Very high91.5Very high117 Ų117100 Ų10055%0.54751%0.506SS..Hα-helixtrans-63.2-45.8173.1-168.5162.2-150.600110.6I374 K375 I380 K381 D382I374-E378 PolarHBondContact O-N 3.46Å; K375-E378 PolarHBondContact O-N 3.34Å; E378-I380 VanDerWaalsContact C-N 3.33Å; E378-I380 PolarHBondContact O-N 2.82Å; E378-K381 WeakPolarHBondContact O-CB 3.4Å; E378-K381 PolarHBondContact O-N 2.95Å; E378-K381 VanDerWaalsContact O-N 3.14Å; E378-D382 WeakPolarHBondContact O-CB 3.45Å; E378-D382 PolarHBondContact O-N 2.89Å
379V93.4Very high90.8Very high79 Ų7998.3 Ų98.348%0.47951%0.507SS..Hα-helixtrans-58.6-42.4172.1171.40000111.7K375 N376 D382 N383K375-V379 VanDerWaalsContact O-CG2 3.28Å; K375-V379 WeakPolarHBondContact O-CG2 3.22Å; K375-V379 PolarHBondContact O-N 3.47Å; N376-V379 PolarHBondContact O-N 3.43Å; V379-D382 PolarHBondContact O-N 2.83Å; V379-N383 WeakPolarHBondContact O-CB 3.48Å; V379-N383 PolarHBondContact O-N 3.14Å; V379-N383 PolarHBondContact O-ND2 2.89Å
380I93.3Very high89.7Confident93 Ų93101.4 Ų101.448%0.47752%0.515SS..Hα-helixtrans-64.6-41.6176.3-71.2162.9000111.1N376 M377 E378 N383 F384N376-I380 VanDerWaalsContact O-CG1 3.22Å; N376-I380 WeakPolarHBondContact O-CG1 3.41Å; N376-I380 PolarHBondContact O-N 2.84Å; M377-I380 PolarHBondContact O-N 3.17Å; M377-I380 HydrophobicContact SD-CD1 4.28Å; E378-I380 VanDerWaalsContact C-N 3.33Å; E378-I380 PolarHBondContact O-N 2.82Å; I380-N383 WeakPolarHBondContact O-CB 3.38Å; I380-N383 PolarHBondContact O-N 3.33Å; I380-F384 WeakPolarHBondContact O-CB 3.35Å; I380-F384 PolarHBondContact O-N 3.47Å
381K92Very high88.3Confident141 Ų141103.3 Ų103.361%0.61352%0.522SS*.Hα-helixtrans-65.1-42.7177.2-175.7-172.7174.7-170.20111.5M377 E378 N383 F384 T385M377-K381 WeakPolarHBondContact O-CB 3.36Å; M377-K381 PolarHBondContact O-N 2.86Å; E378-K381 WeakPolarHBondContact O-CB 3.4Å; E378-K381 PolarHBondContact O-N 2.95Å; E378-K381 VanDerWaalsContact O-N 3.14Å; K381-N383 VanDerWaalsContact C-N 3.32Å; K381-F384 PolarHBondContact O-N 3.15Å; K381-F384 VanDerWaalsContact O-N 3.15Å; K381-T385 WeakPolarHBondContact O-CG2 3.35Å; K381-T385 PolarHBondContact O-N 2.7Å; K381-T385 PolarHBondContact O-OG1 2.86Å; K381-T385 VanDerWaalsContact O-OG1 3.12Å
382D91.2Very high86.6Confident88 Ų88104.8 Ų104.847%0.47154%0.536SS..Hα-helixtrans-63.5-40.5175.1-71.7-10.4000110.8E378 V379 F384 T385 T386E378-D382 WeakPolarHBondContact O-CB 3.45Å; E378-D382 PolarHBondContact O-N 2.89Å; V379-D382 PolarHBondContact O-N 2.83Å; D382-F384 VanDerWaalsContact C-N 3.35Å; D382-F384 PolarHBondContact O-N 2.94Å; D382-T385 WeakPolarHBondContact CA-OG1 3.42Å; D382-T385 PolarHBondContact O-OG1 2.95Å; D382-T386 WeakPolarHBondContact O-CB 3.47Å; D382-T386 PolarHBondContact O-N 3.12Å; D382-T386 PolarHBondContact O-OG1 3.28Å
383N89.3Confident84.9Confident91 Ų91108.3 Ų108.349%0.48755%0.553SS.*Hα-helixtrans-62.2-40.9171.4-72.9-38.9000111.9V379 I380 K381 T386 I387V379-N383 WeakPolarHBondContact O-CB 3.48Å; V379-N383 PolarHBondContact O-N 3.14Å; V379-N383 PolarHBondContact O-ND2 2.89Å; I380-N383 WeakPolarHBondContact O-CB 3.38Å; I380-N383 PolarHBondContact O-N 3.33Å; K381-N383 VanDerWaalsContact C-N 3.32Å; N383-T386 WeakPolarHBondContact O-CB 3.47Å; N383-T386 PolarHBondContact O-N 3.26Å; N383-I387 WeakPolarHBondContact O-CG1 3.43Å; N383-I387 PolarHBondContact O-N 2.97Å
384F88.1Confident82.7Confident138 Ų138108.7 Ų108.761%0.60556%0.564SS**Hα-helixtrans-69.6-42.3-179.5-134.8-81.5000112.5I380 K381 D382 T386 I387 E388I380-F384 WeakPolarHBondContact O-CB 3.35Å; I380-F384 PolarHBondContact O-N 3.47Å; K381-F384 PolarHBondContact O-N 3.15Å; K381-F384 VanDerWaalsContact O-N 3.15Å; D382-F384 VanDerWaalsContact C-N 3.35Å; D382-F384 PolarHBondContact O-N 2.94Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 3.36Å; F384-I387 CarbonylContact O-C 3.57Å; F384-I387 WeakPolarHBondContact O-CB 3.48Å; F384-I387 PolarHBondContact O-N 2.84Å; F384-I387 VanDerWaalsContact O-N 3.14Å; F384-E388 WeakPolarHBondContact O-CB 3.47Å; F384-E388 PolarHBondContact O-N 2.91Å
385T83.9Confident80.2Confident68 Ų68109.9 Ų109.942%0.41758%0.58SS.*Hα-helixtrans-64.6-35174.153.50000111.4K381 D382 E388 S389K381-T385 WeakPolarHBondContact O-CG2 3.35Å; K381-T385 PolarHBondContact O-N 2.7Å; K381-T385 PolarHBondContact O-OG1 2.86Å; K381-T385 VanDerWaalsContact O-OG1 3.12Å; D382-T385 WeakPolarHBondContact CA-OG1 3.42Å; D382-T385 PolarHBondContact O-OG1 2.95Å; T385-E388 PolarHBondContact O-N 3.43Å; T385-S389 WeakPolarHBondContact O-CB 3.5Å; T385-S389 PolarHBondContact O-N 2.81Å
386T83.9Confident77.5Confident76 Ų76116.5 Ų116.547%0.46661%0.609SS.*Hα-helixtrans-62.8-43171.1-55.90000111.2D382 N383 F384 S389 H390D382-T386 WeakPolarHBondContact O-CB 3.47Å; D382-T386 PolarHBondContact O-N 3.12Å; D382-T386 PolarHBondContact O-OG1 3.28Å; N383-T386 WeakPolarHBondContact O-CB 3.47Å; N383-T386 PolarHBondContact O-N 3.26Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 3.36Å; T386-S389 PolarHBondContact O-N 3Å; T386-S389 PolarHBondContact O-OG 3.38Å; T386-H390 PolarHBondContact O-N 3.14Å; T386-H390 PolarHBondContact O-ND1 2.69Å
387I82.4Confident76.8Confident97 Ų97117.3 Ų117.350%0.49761%0.612SS.*Hα-helixtrans-65.1-43.4174.7-69.7169.4000111.6N383 F384 S389 H390 F391N383-I387 WeakPolarHBondContact O-CG1 3.43Å; N383-I387 PolarHBondContact O-N 2.97Å; F384-I387 CarbonylContact O-C 3.57Å; F384-I387 WeakPolarHBondContact O-CB 3.48Å; F384-I387 PolarHBondContact O-N 2.84Å; F384-I387 VanDerWaalsContact O-N 3.14Å; I387-S389 VanDerWaalsContact C-N 3.31Å; I387-S389 PolarHBondContact O-N 3.45Å; I387-H390 CarbonylContact O-C 3.6Å; I387-H390 WeakPolarHBondContact O-CA 3.42Å; I387-H390 WeakPolarHBondContact O-CB 3.44Å; I387-H390 PolarHBondContact O-N 2.94Å; I387-F391 PolarHBondContact O-N 3.47Å
388E82.5Confident75.9Confident122 Ų122117.5 Ų117.557%0.5762%0.615SS**Hα-helixtrans-64.5-36.2179.2-168.5170.9-164.800111.5F384 T385 H390 F391F384-E388 WeakPolarHBondContact O-CB 3.47Å; F384-E388 PolarHBondContact O-N 2.91Å; T385-E388 PolarHBondContact O-N 3.43Å; E388-H390 PolarHBondContact O-N 3.23Å; E388-F391 CarbonylContact O-C 3.59Å; E388-F391 PolarHBondContact O-N 3.4Å
389S79.5Confident74.9Confident82 Ų82117.5 Ų117.557%0.57362%0.619SS**Hα-helixtrans-64.4-28.4171.377.60000113.2T385 T386 I387T385-S389 WeakPolarHBondContact O-CB 3.5Å; T385-S389 PolarHBondContact O-N 2.81Å; T386-S389 PolarHBondContact O-N 3Å; T386-S389 PolarHBondContact O-OG 3.38Å; I387-S389 VanDerWaalsContact C-N 3.31Å; I387-S389 PolarHBondContact O-N 3.45Å
390H72.4Confident73.8Confident145 Ų145119.8 Ų119.867%0.67163%0.627SS**Hα-helixtrans-82-26174.8-85.459.7000113.1T386 I387 E388 P392T386-H390 PolarHBondContact O-N 3.14Å; T386-H390 PolarHBondContact O-ND1 2.69Å; I387-H390 CarbonylContact O-C 3.6Å; I387-H390 WeakPolarHBondContact O-CA 3.42Å; I387-H390 WeakPolarHBondContact O-CB 3.44Å; I387-H390 PolarHBondContact O-N 2.94Å; E388-H390 PolarHBondContact O-N 3.23Å; H390-P392 VanDerWaalsContact C-CD 3.46Å; H390-P392 WeakPolarHBondContact O-CD 3.48Å
391F67.5Low72.6Confident159 Ų159121.4 Ų121.470%0.69764%0.637SS**  trans-122.272.9174.8-82.2-87000110.9I387 E388 I393I387-F391 PolarHBondContact O-N 3.47Å; E388-F391 CarbonylContact O-C 3.59Å; E388-F391 PolarHBondContact O-N 3.4Å; F391-I393 VanDerWaalsContact C-N 3.3Å; F391-I393 PolarHBondContact O-N 2.68Å
392P59.2Low71.3Confident105 Ų105120.1 Ų120.168%0.68264%0.638SS**  trans-63.299.5165.325.9-29.9000107.1H390 S394H390-P392 VanDerWaalsContact C-CD 3.46Å; H390-P392 WeakPolarHBondContact O-CD 3.48Å; P392-S394 PolarHBondContact O-N 3.04Å
393I58.7Low69.9Low146 Ų146122.4 Ų122.475%0.74965%0.65SS**  trans-53.6119.6179.1-69.8160.6000106.7F391 S395F391-I393 VanDerWaalsContact C-N 3.3Å; F391-I393 PolarHBondContact O-N 2.68Å; I393-S395 PolarHBondContact O-N 2.83Å
394S50.6Low68.4Low109 Ų109124.8 Ų124.876%0.76266%0.663SS**  trans-45.480.7174.5-172.20000111.4P392 K396P392-S394 PolarHBondContact O-N 3.04Å; S394-K396 VanDerWaalsContact C-N 3.29Å; S394-K396 PolarHBondContact O-N 3.36Å
395S42Very low66.8Low110 Ų110123.8 Ų123.877%0.76967%0.668SS**  trans-93.967.1168.872.90000108I393I393-S395 PolarHBondContact O-N 2.83Å
396K38.4Very low65.2Low266 Ų266128.8 Ų128.8100%1.15769%0.69SS**  trans-167.10156.6-109.7171.5-171-178.20110.5S394S394-K396 VanDerWaalsContact C-N 3.29Å; S394-K396 PolarHBondContact O-N 3.36Å

Retrieved 396 of 396 residues in 422.9 ms (Link to these results)