A0A060XG30_ONCMY Loading...

Parvin, beta

AlphaFold DB , UniProt , Accession A0A060XG30, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene parvb, Length 365 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
1M34.4Very low34.4Very low237 Ų237126.2 Ų126.2100%1.16781%0.805SS**  0118.40-61173.3-173.700105.6
2A31.8Very low34.1Very low106 Ų106131.3 Ų131.388%0.87681%0.811SS**  69.4121.664.100000111.3
3G30.4Very low33.8Very low79 Ų79130.4 Ų130.481%0.81481%0.812SS**  cis-171.7-176.5-1.500000113.2
4A35.9Very low33.5Very low101 Ų101126.9 Ų126.984%0.83581%0.814SS**  trans-92.5166.6175.800000112.6
5P47.7Very low33.5Very low114 Ų114132.6 Ų132.674%0.7482%0.822SS**  trans-133.6135.3139.727.3-10.1000112.9
6V38Very low33.2Very low115 Ų115136.6 Ų136.670%0.69783%0.831SS**  63.1122.192.5168.20000112
7R35.1Very low33.2Very low220 Ų220140.4 Ų140.483%0.8383%0.833SS**  cis-161.1-165.413.4-124.5176-151.6138.51.8107.8
8S33Very low33.1Very low103 Ų103140.8 Ų140.872%0.7282%0.823SS**  cis-176.5169.8-6.537.40000107.7
9A31.8Very low33Very low80 Ų80141.9 Ų141.966%0.66183%0.825SS**  cis-179.4167.5-31.300000109.2
10T29.9Very low32.9Very low140 Ų140141.6 Ų141.686%0.85982%0.815SS**  trans64.2149.9163.438.90000119.3
11S30.2Very low33.1Very low93 Ų93139.9 Ų139.965%0.6581%0.812SS**  cis-167.7148.8-5.445.60000112.6
12Q31.2Very low33.2Very low188 Ų188138 Ų13888%0.87980%0.797SS**  trans54.1148.1142.1-70.1-177.38.200120.3
13S29.4Very low33.6Very low119 Ų119141.6 Ų141.683%0.83280%0.801SS**  cis-157170.40.554.80000110.3
14G29.6Very low34Very low81 Ų81141.7 Ų141.784%0.83580%0.802SS**  trans161.392.2171.500000114.2
15K33.5Very low34.5Very low213 Ų213146.7 Ų146.793%0.92681%0.805SS**  trans-103.8127.8167.7-85.6-176.7177.71750109.6
16M30.1Very low34.1Very low197 Ų197148.8 Ų148.897%0.9781%0.809SS**  trans-150.8154.1143.2-124169.4171.400110.3
17K32.7Very low34.2Very low201 Ų201146.6 Ų146.687%0.87481%0.809SS**  trans-117138.2-175.3-105.7-171.8175.2-174.30109.3
18K30.6Very low34.6Very low147 Ų147139 Ų13964%0.63980%0.799SS**  trans57.8121.3148-145.9-168.1-172.9-133.70117.5E20K18-E20 WeakPolarHBondContact CE-OE2 3.47Å; K18-E20 HydrophobicContact CG-CG 4.48Å; K18-E20 IonicContact NZ-OE2 2.61Å; K18-E20 PolarHBondContact NZ-OE2 3.28Å
19D30.9Very low34.9Very low163 Ų163139 Ų13987%0.87280%0.795SS**  -147.1163.8115.9-105.7-28.1000110.4
20E32.1Very low35.3Very low135 Ų135141.9 Ų141.963%0.63180%0.799SS**  trans-117.7148.2-166.6-69.4177.9106.400113.8K18K18-E20 WeakPolarHBondContact CE-OE2 3.47Å; K18-E20 HydrophobicContact CG-CG 4.48Å; K18-E20 IonicContact NZ-OE2 2.61Å; K18-E20 PolarHBondContact NZ-OE2 3.28Å
21S36.9Very low35.9Very low106 Ų106140.1 Ų140.174%0.74179%0.788SS**  trans76.9177.3155.7820000119.1
22F35.7Very low36.5Very low197 Ų197145.5 Ų145.586%0.86479%0.794SS**  trans74.855.7-177.8-72.7-84.3000120.1
23L41.3Very low37.1Very low181 Ų181144.1 Ų144.195%0.94879%0.785SS**SBendtrans-156.221.5146.3-116.5172.9000116.3
24G39.3Very low37.8Very low81 Ų81145.2 Ų145.284%0.83578%0.775SS**  trans-105.222.1-166.400000118.3
25K44.8Very low38.6Very low206 Ų206148.1 Ų148.190%0.89676%0.764SS**  trans-13825.8-160-126.3175.2-173.9178.10119.3
26L41.2Very low39.1Very low159 Ų159141.3 Ų141.383%0.83274%0.744SS**SBendtrans-121.1-8.2177.1-86.4166.9000116.9
27G39.1Very low40Very low68 Ų68138 Ų13870%0.70172%0.724SS**SBendtrans-81.5-20-177.600000116.5
28G42.6Very low40.7Very low60 Ų60132.6 Ų132.662%0.61970%0.702SS**Hα-helixtrans-84.2-17.6-163.400000117.2
29T41Very low41.5Very low103 Ų103130 Ų13063%0.63270%0.698SS**Hα-helixtrans-85.2-35-169.637.30000114K33T29-K33 WeakPolarHBondContact O-CB 3.41Å; T29-K33 PolarHBondContact O-N 3.42Å
30L39.1Very low42.3Very low141 Ų141125.3 Ų125.374%0.73868%0.678SS**Hα-helixtrans-65.2-47.3-178.5-80.9162.3000112.6R32 K33 K34L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.99Å; L30-K33 PolarHBondContact O-N 3.35Å; L30-K34 PolarHBondContact O-N 3.45Å
31V43.6Very low43.2Very low104 Ų104122 Ų12263%0.6366%0.664SS**Hα-helixtrans-61.9-42.1179.5-177.90000111.2K34 K35V31-K34 PolarHBondContact O-N 3.36Å; V31-K35 PolarHBondContact O-N 2.87Å
32R42.8Very low44Very low206 Ų206121.9 Ų121.978%0.77766%0.655SS**Hα-helixtrans-68-35.4178.9-159.5172.3-172.3173.12.4112.1L30 S36L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.99Å; R32-S36 PolarHBondContact O-N 2.96Å; R32-S36 PolarHBondContact O-OG 3.12Å
33K42.1Very low44.6Very low158 Ų158118.4 Ų118.469%0.68764%0.641SS**Hα-helixtrans-70.8-31.7175.9-136.7-179.8-174-173.30112.9T29 L30 S36 K37T29-K33 WeakPolarHBondContact O-CB 3.41Å; T29-K33 PolarHBondContact O-N 3.42Å; L30-K33 PolarHBondContact O-N 3.35Å; K33-S36 WeakPolarHBondContact CA-OG 3.19Å; K33-S36 PolarHBondContact O-OG 2.87Å; K33-S36 VanDerWaalsContact O-OG 3.05Å; K33-K37 PolarHBondContact O-N 2.83Å
34K45Very low45.1Very low143 Ų143115.3 Ų115.362%0.62262%0.622SS**Hα-helixtrans-64.7-54.8172.4-167.2-178.1178.1-169.60110.5L30 V31 S36 K37 E38L30-K34 PolarHBondContact O-N 3.45Å; V31-K34 PolarHBondContact O-N 3.36Å; K34-S36 VanDerWaalsContact C-N 3.31Å; K34-S36 PolarHBondContact O-N 3.47Å; K34-K37 PolarHBondContact O-N 3.08Å; K34-E38 WeakPolarHBondContact O-CB 3.43Å; K34-E38 PolarHBondContact O-N 2.82Å
35K47.2Very low45.8Very low141 Ų141117.2 Ų117.261%0.61361%0.609SS**Hα-helixtrans-59.5-36.2177.5-81.1-157.7168.9-1630113.7V31 K37 V39V31-K35 PolarHBondContact O-N 2.87Å; K35-K37 VanDerWaalsContact C-N 3.32Å; K35-K37 PolarHBondContact O-N 3.34Å; K35-V39 WeakPolarHBondContact O-CB 3.42Å; K35-V39 VanDerWaalsContact O-CG2 3.31Å; K35-V39 WeakPolarHBondContact O-CG2 3.41Å; K35-V39 PolarHBondContact O-N 3.01Å
36S44Very low46Very low71 Ų71109.3 Ų109.350%0.49759%0.586SS.*Hα-helixtrans-70.3-28.1176.764.60000113.3R32 K33 K34 S40R32-S36 PolarHBondContact O-N 2.96Å; R32-S36 PolarHBondContact O-OG 3.12Å; K33-S36 WeakPolarHBondContact CA-OG 3.19Å; K33-S36 PolarHBondContact O-OG 2.87Å; K33-S36 VanDerWaalsContact O-OG 3.05Å; K34-S36 VanDerWaalsContact C-N 3.31Å; K34-S36 PolarHBondContact O-N 3.47Å; S36-S40 WeakPolarHBondContact O-CB 3.47Å; S36-S40 PolarHBondContact O-N 3.49Å
37K47.5Very low46.3Very low126 Ų126107.5 Ų107.555%0.54857%0.572SS.*Hα-helixtrans-75.7-48.6173-161.6-171.2178.9-70.30110.5K33 K34 K35 V39 S40 D41K33-K37 PolarHBondContact O-N 2.83Å; K34-K37 PolarHBondContact O-N 3.08Å; K35-K37 VanDerWaalsContact C-N 3.32Å; K35-K37 PolarHBondContact O-N 3.34Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.12Å; K37-S40 CarbonylContact O-C 3.59Å; K37-S40 WeakPolarHBondContact O-CA 3.35Å; K37-S40 WeakPolarHBondContact O-CB 3.36Å; K37-S40 PolarHBondContact O-N 3.19Å; K37-D41 IonicContact NZ-OD1 2.8Å; K37-D41 PolarHBondContact NZ-OD1 2.92Å; K37-D41 IonicContact NZ-OD2 2.73Å; K37-D41 PolarHBondContact NZ-OD2 3.15Å; K37-D41 PolarHBondContact O-N 2.83Å
38E48.4Very low46.7Very low88 Ų88109.9 Ų109.941%0.41157%0.568SS.*Hα-helixtrans-51.9-45.7176.1-164.6165.7-119.800112.1K34 L42K34-E38 WeakPolarHBondContact O-CB 3.43Å; K34-E38 PolarHBondContact O-N 2.82Å; E38-L42 WeakPolarHBondContact O-CB 3.5Å; E38-L42 WeakPolarHBondContact O-CD1 3.48Å; E38-L42 VanDerWaalsContact O-CG 3.27Å; E38-L42 WeakPolarHBondContact O-CG 3.23Å; E38-L42 PolarHBondContact O-N 2.98Å; E38-L42 VanDerWaalsContact O-N 3.1Å
39V47.9Very low47Very low94 Ų94111 Ų11157%0.5757%0.572SS**Hα-helixtrans-70.3-27.6174.11720000113.2K35 K37 H43K35-V39 WeakPolarHBondContact O-CB 3.42Å; K35-V39 VanDerWaalsContact O-CG2 3.31Å; K35-V39 WeakPolarHBondContact O-CG2 3.41Å; K35-V39 PolarHBondContact O-N 3.01Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.12Å; V39-H43 WeakPolarHBondContact O-CB 3.49Å; V39-H43 PolarHBondContact O-N 3.44Å
40S46.7Very low47.4Very low63 Ų63112.1 Ų112.144%0.44157%0.573SS.*Hα-helixtrans-75.3-44.5174.5-167.70000111.6S36 K37 L42 H43 E44S36-S40 WeakPolarHBondContact O-CB 3.47Å; S36-S40 PolarHBondContact O-N 3.49Å; K37-S40 CarbonylContact O-C 3.59Å; K37-S40 WeakPolarHBondContact O-CA 3.35Å; K37-S40 WeakPolarHBondContact O-CB 3.36Å; K37-S40 PolarHBondContact O-N 3.19Å; S40-L42 VanDerWaalsContact C-N 3.35Å; S40-L42 PolarHBondContact O-N 2.92Å; S40-H43 CarbonylContact O-C 3.53Å; S40-H43 PolarHBondContact O-N 3.34Å; S40-E44 PolarHBondContact O-N 3.3Å
41D51.2Low47.5Very low66 Ų66111.8 Ų111.835%0.35357%0.572SS.*Hα-helixtrans-60.8-45.4179.6-61.6-22.4000109.2K37 H43 E44 E45K37-D41 IonicContact NZ-OD1 2.8Å; K37-D41 PolarHBondContact NZ-OD1 2.92Å; K37-D41 IonicContact NZ-OD2 2.73Å; K37-D41 PolarHBondContact NZ-OD2 3.15Å; K37-D41 PolarHBondContact O-N 2.83Å; D41-H43 VanDerWaalsContact C-N 3.32Å; D41-H43 PolarHBondContact O-N 3Å; D41-E44 PolarHBondContact O-N 2.95Å; D41-E45 WeakPolarHBondContact O-CB 3.37Å; D41-E45 PolarHBondContact O-N 3.39Å
42L53Low47.2Very low104 Ų104112.9 Ų112.955%0.54558%0.578SS.*Hα-helixtrans-59-35.7171.6-73.8166.7000113.9E38 S40 E44 G46E38-L42 WeakPolarHBondContact O-CB 3.5Å; E38-L42 WeakPolarHBondContact O-CD1 3.48Å; E38-L42 VanDerWaalsContact O-CG 3.27Å; E38-L42 WeakPolarHBondContact O-CG 3.23Å; E38-L42 PolarHBondContact O-N 2.98Å; E38-L42 VanDerWaalsContact O-N 3.1Å; S40-L42 VanDerWaalsContact C-N 3.35Å; S40-L42 PolarHBondContact O-N 2.92Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-G46 PolarHBondContact O-N 3.04Å
43H49.8Very low47.3Very low124 Ų124108.5 Ų108.557%0.57458%0.577SS**Hα-helixtrans-80.9-14.8-179-147.6106.4000112.7V39 S40 D41 K47V39-H43 WeakPolarHBondContact O-CB 3.49Å; V39-H43 PolarHBondContact O-N 3.44Å; S40-H43 CarbonylContact O-C 3.53Å; S40-H43 PolarHBondContact O-N 3.34Å; D41-H43 VanDerWaalsContact C-N 3.32Å; D41-H43 PolarHBondContact O-N 3Å; H43-K47 WeakPolarHBondContact O-CD 3.44Å; H43-K47 WeakPolarHBondContact O-CG 3.45Å
44E50.3Low47.3Very low115 Ų115109.8 Ų109.854%0.53759%0.588SS.*Hα-helixtrans-93-39.5174.6-166.6160.5-170.400110.5S40 D41 L42 K47 N48S40-E44 PolarHBondContact O-N 3.3Å; D41-E44 PolarHBondContact O-N 2.95Å; L42-E44 VanDerWaalsContact C-N 3.31Å; E44-K47 PolarHBondContact O-N 3.29Å; E44-K47 VanDerWaalsContact O-N 3.12Å; E44-N48 PolarHBondContact O-N 2.83Å; E44-N48 PolarHBondContact O-ND2 3.06Å
45E53.7Low47Very low121 Ų121109.8 Ų109.857%0.56559%0.594SS**Hα-helixtrans-55.4-51.1166.4-174.9171.3-151.700111.4D41 K47 N48 A49D41-E45 WeakPolarHBondContact O-CB 3.37Å; D41-E45 PolarHBondContact O-N 3.39Å; E45-K47 PolarHBondContact O-N 2.87Å; E45-N48 PolarHBondContact O-N 3.17Å; E45-N48 VanDerWaalsContact O-N 3.15Å; E45-A49 PolarHBondContact O-N 3.21Å; E45-A49 VanDerWaalsContact O-N 3.1Å
46G50.7Low46.6Very low40 Ų40108.8 Ų108.841%0.41260%0.601SS.*Hα-helixtrans-62.9-19.2175.200000115.1L42 I50L42-G46 PolarHBondContact O-N 3.04Å; G46-I50 WeakPolarHBondContact O-CD1 3.46Å; G46-I50 WeakPolarHBondContact O-CG1 3.24Å
47K47.1Very low46.6Very low122 Ų122111.7 Ų111.753%0.5362%0.622SS.*Hα-helixtrans-87.9-35.1172.6-79.9173.4-179.61700112.7H43 E44 E45 A49 I50H43-K47 WeakPolarHBondContact O-CD 3.44Å; H43-K47 WeakPolarHBondContact O-CG 3.45Å; E44-K47 PolarHBondContact O-N 3.29Å; E44-K47 VanDerWaalsContact O-N 3.12Å; E45-K47 PolarHBondContact O-N 2.87Å; K47-A49 VanDerWaalsContact C-N 3.27Å; K47-A49 PolarHBondContact O-N 3.08Å; K47-I50 PolarHBondContact O-N 3.38Å
48N47.4Very low46.2Very low117 Ų117109.1 Ų109.163%0.62663%0.631SS**Hα-helixtrans-67.9-29.7176-72.5-28.8000111.7E44 E45 I50E44-N48 PolarHBondContact O-N 2.83Å; E44-N48 PolarHBondContact O-ND2 3.06Å; E45-N48 PolarHBondContact O-N 3.17Å; E45-N48 VanDerWaalsContact O-N 3.15Å; N48-I50 PolarHBondContact O-N 2.85Å
49A49.5Very low46Very low85 Ų85109.7 Ų109.770%0.70264%0.641SS**THydrogen-bonded Turntrans-63-16.5171.200000115E45 K47E45-A49 PolarHBondContact O-N 3.21Å; E45-A49 VanDerWaalsContact O-N 3.1Å; K47-A49 VanDerWaalsContact C-N 3.27Å; K47-A49 PolarHBondContact O-N 3.08Å
50I47.8Very low45.6Very low126 Ų126114.2 Ų114.265%0.64666%0.656SS**THydrogen-bonded Turntrans-91.6-12.3-172.3-68.6172.3000113.1G46 K47 N48 T52G46-I50 WeakPolarHBondContact O-CD1 3.46Å; G46-I50 WeakPolarHBondContact O-CG1 3.24Å; K47-I50 PolarHBondContact O-N 3.38Å; N48-I50 PolarHBondContact O-N 2.85Å; I50-T52 PolarHBondContact O-N 3.12Å
51N42.4Very low45.6Very low134 Ų134115.6 Ų115.672%0.71766%0.657SS**  trans-99.757.5-173-76.6-57000114.1
52T36.7Very low45.2Very low126 Ų126118.1 Ų118.177%0.77367%0.666SS**SBendtrans-144.5135160.7-58.30000108.3I50I50-T52 PolarHBondContact O-N 3.12Å
53P44.6Very low44.7Very low114 Ų114117.5 Ų117.574%0.7467%0.669SS**  trans-82.4139.1-149.129.1-36.1000116.5
54M42.2Very low44.6Very low186 Ų186118.6 Ų118.692%0.91667%0.674SS**  trans56.383.8162.1-56.4-161.985.800117.7
55L39.4Very low44.5Very low143 Ų143114.1 Ų114.175%0.74965%0.654SS**PPolyproline II helixtrans-97.1151.4141.7-85.677.5000109.6
56P39.1Very low44.4Very low120 Ų120111.4 Ų111.478%0.77965%0.646SS**PPolyproline II helixtrans-65.7133.2170.528.6-33.9000110.5G58P56-G58 PolarHBondContact O-N 3.33Å
57S44.1Very low44.7Very low132 Ų132116.8 Ų116.892%0.92366%0.662SS**THydrogen-bonded Turntrans-68.9117.3179.2-48.70000110.8
58G39.2Very low45.4Very low72 Ų72112 Ų11274%0.74264%0.642SS**THydrogen-bonded Turntrans177.9-24.9178.400000116P56 E60P56-G58 PolarHBondContact O-N 3.33Å; G58-E60 PolarHBondContact O-N 2.85Å; G58-E60 VanDerWaalsContact O-N 3.09Å
59T42.7Very low46.5Very low100 Ų100114 Ų11461%0.61365%0.648SS**  trans-79.892.4178.9-39.40000111.2I61T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 HydrophobicContact CG2-CG1 3.77Å; T59-I61 PolarHBondContact O-N 3.42Å
60E41.2Very low47.5Very low189 Ų189114.3 Ų114.388%0.88364%0.635SS**  trans-70.185.3163-69.6-168.215300109.4G58 H62G58-E60 PolarHBondContact O-N 2.85Å; G58-E60 VanDerWaalsContact O-N 3.09Å; E60-H62 PolarHBondContact O-N 3.31Å
61I45.2Very low48.5Very low92 Ų92113 Ų11347%0.47263%0.629SS.*  trans-66.9117.7170.2-57.9175.6000107.2T59 D65 T66T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 HydrophobicContact CG2-CG1 3.77Å; T59-I61 PolarHBondContact O-N 3.42Å; I61-D65 HydrophobicContact CG2-CB 3.71Å; I61-T66 HydrophobicContact CG2-CG2 3.81Å
62H43.8Very low49.8Very low118 Ų118108.2 Ų108.255%0.54661%0.608SS.*  trans-67.9149.5-176.6-143.7-117.8000109.5E60 E64 D65E60-H62 PolarHBondContact O-N 3.31Å; H62-E64 PolarHBondContact O-N 3.4Å; H62-E64 VanDerWaalsContact O-N 3.07Å; H62-D65 WeakPolarHBondContact CB-OD2 3.49Å; H62-D65 PolarHBondContact N-OD2 3.47Å; H62-D65 WeakPolarHBondContact O-CB 3.44Å; H62-D65 PolarHBondContact O-N 3Å
63P41.7Very low51.6Low92 Ų92107 Ų10760%0.59759%0.593SS**G310 helixtrans-54.7-34.9-177-29.236.9000113.5D65 T66P63-D65 PolarHBondContact O-N 3.31Å; P63-T66 PolarHBondContact O-N 3.36Å; P63-T66 PolarHBondContact O-OG1 3.4Å
64E49.1Very low53Low147 Ų147106.3 Ų106.369%0.68758%0.576SS**G310 helixtrans-68.8-28.6176.8-62178.1169.200113.1H62 T66 M67H62-E64 PolarHBondContact O-N 3.4Å; H62-E64 VanDerWaalsContact O-N 3.07Å; E64-T66 PolarHBondContact O-N 3.06Å; E64-M67 PolarHBondContact O-N 3Å
65D47.8Very low54.8Low21 Ų2199.9 Ų99.911%0.11255%0.545CS..G310 helixtrans-70.4-18.7174.8-65.1-57.5000112.7I61 H62 P63 R74 M76I61-D65 HydrophobicContact CG2-CB 3.71Å; H62-D65 WeakPolarHBondContact CB-OD2 3.49Å; H62-D65 PolarHBondContact N-OD2 3.47Å; H62-D65 WeakPolarHBondContact O-CB 3.44Å; H62-D65 PolarHBondContact O-N 3Å; P63-D65 PolarHBondContact O-N 3.31Å; D65-R74 IonicContact OD1-CZ 2.65Å; D65-R74 IonicContact OD1-NE 2.77Å; D65-R74 PolarHBondContact OD1-NE 2.86Å; D65-R74 IonicContact OD1-NH2 3.25Å; D65-R74 PolarHBondContact OD1-NH2 3Å; D65-M76 HydrophobicContact CB-CE 4.29Å; D65-M76 HydrophobicContact CB-SD 4.38Å; D65-M76 WeakPolarHBondContact OD1-CE 3.22Å
66T50.4Low56.8Low64 Ų6496 Ų9639%0.39352%0.524SS..G310 helixtrans-84.3-16175.870.90000113.6I61 P63 E64 L68I61-T66 HydrophobicContact CG2-CG2 3.81Å; P63-T66 PolarHBondContact O-N 3.36Å; P63-T66 PolarHBondContact O-OG1 3.4Å; E64-T66 PolarHBondContact O-N 3.06Å; T66-L68 PolarHBondContact O-N 3.05Å
67M56.5Low59.2Low153 Ų15391.9 Ų91.975%0.75450%0.495SS*.  trans-84.550.7-174.2-66.8-164.367.800113.1E64E64-M67 PolarHBondContact O-N 3Å
68L62.1Low61.2Low21 Ų2186.5 Ų86.511%0.1146%0.456CS..PPolyproline II helixtrans-74.6140.1173.3-63.5-177.3000112T66 A72 R74 V211 K213 L218T66-L68 PolarHBondContact O-N 3.05Å; L68-A72 HydrophobicContact CB-CB 4.38Å; L68-R74 HydrophobicContact CD2-CB 3.8Å; L68-V211 HydrophobicContact CD1-CB 4.28Å; L68-V211 HydrophobicContact CD1-CG1 3.88Å; L68-V211 WeakPolarHBondContact CD1-O 3.28Å; L68-K213 HydrophobicContact CB-CB 3.98Å; L68-K213 HydrophobicContact CB-CD 4.19Å; L68-K213 WeakPolarHBondContact O-CD 3.46Å; L68-K213 PolarHBondContact O-NZ 2.92Å; L68-L218 HydrophobicContact CB-CD2 4.41Å; L68-L218 HydrophobicContact CD1-CD2 4.08Å
69E72.3Confident63.4Low160 Ų16086.9 Ų86.975%0.74845%0.446SS*.PPolyproline II helixtrans-70.8163.5164.3-62.5-167.716000111.1N71 A72E69-N71 PolarHBondContact O-N 3.4Å; E69-A72 HydrophobicContact CB-CB 4.07Å; E69-A72 WeakPolarHBondContact O-CB 3.28Å; E69-A72 PolarHBondContact O-N 3.43Å
70E70.2Confident65.5Low91 Ų9187.3 Ų87.343%0.42545%0.448SS..THydrogen-bonded Turntrans-69.6125.3-175.3-169.753.9-138.700111.3A72 R214 E215 G216E70-A72 VanDerWaalsContact C-N 3.25Å; E70-A72 PolarHBondContact O-N 3.16Å; E70-R214 VanDerWaalsContact OE1-CA 3.3Å; E70-R214 WeakPolarHBondContact OE1-CA 3.47Å; E70-E215 PolarHBondContact OE1-N 3.43Å; E70-G216 PolarHBondContact OE2-N 2.93Å; E70-G216 VanDerWaalsContact OE2-N 3.12Å
71N67.8Low67.7Low98 Ų9878.7 Ų78.752%0.52441%0.409SS..THydrogen-bonded Turntrans71.1-3.8-165.9-56.4-87.2000116.9E69 K212 K213E69-N71 PolarHBondContact O-N 3.4Å; N71-K212 PolarHBondContact O-NZ 2.8Å; N71-K213 WeakPolarHBondContact CA-O 3.44Å; N71-K213 PolarHBondContact N-O 3.33Å
72A69.9Low69.8Low33 Ų3379.2 Ų79.227%0.27341%0.405SS..  trans-64.4153.2174.800000111.8L68 E69 E70 K212 K213L68-A72 HydrophobicContact CB-CB 4.38Å; E69-A72 HydrophobicContact CB-CB 4.07Å; E69-A72 WeakPolarHBondContact O-CB 3.28Å; E69-A72 PolarHBondContact O-N 3.43Å; E70-A72 VanDerWaalsContact C-N 3.25Å; E70-A72 PolarHBondContact O-N 3.16Å; A72-K212 WeakPolarHBondContact O-CA 3.49Å; A72-K212 WeakPolarHBondContact O-CG 3.27Å; A72-K213 PolarHBondContact O-N 3.15Å; A72-K213 VanDerWaalsContact O-N 3.11Å
73E75Confident72Confident100 Ų10079.3 Ų79.347%0.46741%0.405SS..EExtended strand (participates in β ladder)trans-136.3133.1-173.9-171.4174117.700109.7V210 V211 K212E73-V210 HydrophobicContact CG-CG1 3.72Å; E73-V211 CarbonylContact C-O 3.6Å; E73-V211 WeakPolarHBondContact CA-O 3.37Å; E73-K212 HydrophobicContact CB-CG 4.2Å; E73-K212 HydrophobicContact CG-CB 4.34Å; E73-K212 HydrophobicContact CG-CG 4.4Å; E73-K212 WeakPolarHBondContact OE2-CD 3.37Å; E73-K212 IonicContact OE2-NZ 3.89Å; E73-K212 PolarHBondContact OE2-NZ 3.43Å
74R73.6Confident74.5Confident101 Ų10177.3 Ų77.338%0.38139%0.39SS..EExtended strand (participates in β ladder)trans-131.4129.5-179.5-175.2173.4177.697.5-11.6109.3D65 L68 M76 V211D65-R74 IonicContact OD1-CZ 2.65Å; D65-R74 IonicContact OD1-NE 2.77Å; D65-R74 PolarHBondContact OD1-NE 2.86Å; D65-R74 IonicContact OD1-NH2 3.25Å; D65-R74 PolarHBondContact OD1-NH2 3Å; L68-R74 HydrophobicContact CD2-CB 3.8Å; R74-M76 HydrophobicContact CG-CG 4.35Å; R74-V211 PolarHBondContact N-O 3.21Å; R74-V211 PolarHBondContact O-N 3.42Å
75N80.7Confident76.6Confident51 Ų5175.2 Ų75.227%0.27339%0.389SS..EExtended strand (participates in β ladder)trans-112.6109.9-170.5-70-24.8000109.5N179 V208 V209 V210N75-N179 PolarHBondContact O-ND2 3.3Å; N75-V208 HydrophobicContact CB-CG1 3.82Å; N75-V209 WeakPolarHBondContact CA-O 3.5Å; N75-V210 WeakPolarHBondContact OD1-CG1 3.2Å; N75-V210 WeakPolarHBondContact OD1-CG2 3.35Å
76M81.3Confident78.8Confident61 Ų6178.9 Ų78.930%0.340%0.404SS..EExtended strand (participates in β ladder)trans-110.2142.2-172.7-60.1177.378.900112D65 R74 D78 V208 V209D65-M76 HydrophobicContact CB-CE 4.29Å; D65-M76 HydrophobicContact CB-SD 4.38Å; D65-M76 WeakPolarHBondContact OD1-CE 3.22Å; R74-M76 HydrophobicContact CG-CG 4.35Å; M76-D78 PolarHBondContact O-N 3.23Å; M76-V208 WeakPolarHBondContact O-CA 3.28Å; M76-V209 HydrophobicContact CB-CB 4.47Å; M76-V209 PolarHBondContact N-O 3.08Å; M76-V209 PolarHBondContact O-N 3.23Å
77L87.9Confident81Confident33 Ų3375.8 Ų75.817%0.17339%0.385CS..EExtended strand (participates in β ladder)trans-43.6108.4162.3164.2153.4000113.8R82 F87 L180 V181 V206L77-R82 HydrophobicContact CD2-CB 3.84Å; L77-R82 HydrophobicContact CD2-CG 4.03Å; L77-R82 HydrophobicContact CG-CB 4.35Å; L77-F87 HydrophobicContact CD1-CE1 4.02Å; L77-F87 HydrophobicContact CD1-CZ 4.42Å; L77-F87 HydrophobicContact CD2-CE1 3.85Å; L77-F87 HydrophobicContact CD2-CZ 4.44Å; L77-L180 HydrophobicContact CD2-CD2 4.12Å; L77-V181 HydrophobicContact CB-CG2 3.91Å; L77-V181 HydrophobicContact CD1-CG2 4.01Å; L77-V181 HydrophobicContact CG-CG2 4.44Å; L77-V206 HydrophobicContact CD1-CB 3.62Å; L77-V206 HydrophobicContact CD1-CG1 3.86Å; L77-V206 HydrophobicContact CD1-CG2 4Å
78D87.1Confident82.8Confident20 Ų2072.7 Ų72.711%0.10737%0.367CS..  trans-62.4128.4167.3-173.9-73.1000110.1M76 T80 S81 R82 Q207 V209 H222M76-D78 PolarHBondContact O-N 3.23Å; D78-T80 PolarHBondContact O-N 3.41Å; D78-T80 WeakPolarHBondContact OD1-CB 3.27Å; D78-T80 PolarHBondContact OD1-N 3.13Å; D78-T80 PolarHBondContact OD1-OG1 2.95Å; D78-S81 CarbonylContact O-C 3.59Å; D78-S81 WeakPolarHBondContact O-CA 3.46Å; D78-S81 WeakPolarHBondContact O-CB 3.32Å; D78-S81 PolarHBondContact O-N 3.45Å; D78-R82 PolarHBondContact O-N 3.22Å; D78-Q207 HydrophobicContact CB-CB 3.67Å; D78-Q207 WeakPolarHBondContact CB-O 3.32Å; D78-Q207 PolarHBondContact N-O 2.84Å; D78-V209 HydrophobicContact CB-CG2 4.26Å; D78-H222 IonicContact OD2-CE1 3.44Å; D78-H222 IonicContact OD2-ND1 2.72Å; D78-H222 PolarHBondContact OD2-ND1 3.21Å
79P85.3Confident84.5Confident80 Ų8074.7 Ų74.752%0.51938%0.378SS..Hα-helixtrans-56.1-34.8-176.8-28.235.8000114.3S81 R82 E83P79-S81 VanDerWaalsContact C-N 3.28Å; P79-S81 PolarHBondContact O-N 3.48Å; P79-R82 PolarHBondContact O-N 3.32Å; P79-E83 PolarHBondContact O-N 3.32Å; P79-E83 VanDerWaalsContact O-N 3.15Å
80T86.1Confident85.7Confident108 Ų10867 Ų6766%0.66334%0.342SS*.Hα-helixtrans-68.6-30.2177.469.30000112D78 N84D78-T80 PolarHBondContact O-N 3.41Å; D78-T80 WeakPolarHBondContact OD1-CB 3.27Å; D78-T80 PolarHBondContact OD1-N 3.13Å; D78-T80 PolarHBondContact OD1-OG1 2.95Å; T80-N84 PolarHBondContact O-N 3.32Å
81S89.1Confident87Confident8 Ų864.4 Ų64.46%0.05633%0.33CS..Hα-helixtrans-81.4-30.9175.6-64.90000112.4D78 P79 E83 N84 F87 Q207D78-S81 CarbonylContact O-C 3.59Å; D78-S81 WeakPolarHBondContact O-CA 3.46Å; D78-S81 WeakPolarHBondContact O-CB 3.32Å; D78-S81 PolarHBondContact O-N 3.45Å; P79-S81 VanDerWaalsContact C-N 3.28Å; P79-S81 PolarHBondContact O-N 3.48Å; S81-E83 VanDerWaalsContact C-N 3.25Å; S81-E83 PolarHBondContact O-N 2.82Å; S81-N84 VanDerWaalsContact O-CB 3.26Å; S81-N84 WeakPolarHBondContact O-CB 3.29Å; S81-N84 PolarHBondContact O-N 3.01Å; S81-F87 WeakPolarHBondContact O-CD1 3.45Å; S81-Q207 WeakPolarHBondContact OG-CB 3.49Å; S81-Q207 PolarHBondContact OG-N 2.69Å
82R88.9Confident88.4Confident104 Ų10465.5 Ų65.539%0.39233%0.327SS..Hα-helixtrans-62-34.1170-164.4172.8179.898.36.9111.9L77 D78 P79 K88 E113L77-R82 HydrophobicContact CD2-CB 3.84Å; L77-R82 HydrophobicContact CD2-CG 4.03Å; L77-R82 HydrophobicContact CG-CB 4.35Å; D78-R82 PolarHBondContact O-N 3.22Å; P79-R82 PolarHBondContact O-N 3.32Å; R82-K88 WeakPolarHBondContact O-CE 3.43Å; R82-E113 IonicContact CZ-OE1 2.62Å; R82-E113 IonicContact CZ-OE2 2.72Å; R82-E113 IonicContact NH1-OE1 3.43Å; R82-E113 PolarHBondContact NH1-OE1 2.95Å; R82-E113 IonicContact NH1-OE2 3.69Å; R82-E113 PolarHBondContact NH1-OE2 2.96Å; R82-E113 IonicContact NH2-OE1 3.74Å; R82-E113 PolarHBondContact NH2-OE1 3.14Å; R82-E113 IonicContact NH2-OE2 2.9Å; R82-E113 PolarHBondContact NH2-OE2 3.15Å
83E89.9Confident89.7Confident120 Ų12064.8 Ų64.856%0.56132%0.319SS*.THydrogen-bonded Turntrans-83.7-5.4175.4-73.2-55.4109.500115.4P79 S81 P85 K88P79-E83 PolarHBondContact O-N 3.32Å; P79-E83 VanDerWaalsContact O-N 3.15Å; S81-E83 VanDerWaalsContact C-N 3.25Å; S81-E83 PolarHBondContact O-N 2.82Å; E83-P85 WeakPolarHBondContact O-CD 3.11Å; E83-K88 WeakPolarHBondContact OE1-CE 3.07Å; E83-K88 IonicContact OE1-NZ 3.86Å; E83-K88 PolarHBondContact OE1-NZ 3.46Å; E83-K88 IonicContact OE2-NZ 2.7Å; E83-K88 PolarHBondContact OE2-NZ 2.7Å
84N92.8Very high90.8Very high49 Ų4960 Ų6026%0.26230%0.297SS..  trans-63.3120.8-177.2-178.4-18.9000112.1T80 S81 K86 F87 K88T80-N84 PolarHBondContact O-N 3.32Å; S81-N84 VanDerWaalsContact O-CB 3.26Å; S81-N84 WeakPolarHBondContact O-CB 3.29Å; S81-N84 PolarHBondContact O-N 3.01Å; N84-K86 VanDerWaalsContact C-N 3.31Å; N84-K86 PolarHBondContact O-N 2.69Å; N84-K86 WeakPolarHBondContact OD1-CB 3.24Å; N84-K86 PolarHBondContact OD1-N 2.78Å; N84-F87 HydrophobicContact CB-CB 4.05Å; N84-F87 PolarHBondContact O-N 3.13Å; N84-K88 PolarHBondContact O-N 3.14Å
85P94.2Very high92Very high104 Ų10456.4 Ų56.468%0.67529%0.285SS*.Hα-helixtrans-56.6-38-178.6-27.635.7000114.5E83 F87 K88 D89E83-P85 WeakPolarHBondContact O-CD 3.11Å; P85-F87 VanDerWaalsContact C-N 3.31Å; P85-F87 PolarHBondContact O-N 3.44Å; P85-K88 PolarHBondContact O-N 2.95Å; P85-D89 WeakPolarHBondContact O-CB 3.39Å; P85-D89 PolarHBondContact O-N 2.77Å
86K93.7Very high92.7Very high97 Ų9757.1 Ų57.142%0.42229%0.288SS..Hα-helixtrans-63-37.6175.7-94.6-167.1175-156.90112.2N84 L90 E202 H203 V204N84-K86 VanDerWaalsContact C-N 3.31Å; N84-K86 PolarHBondContact O-N 2.69Å; N84-K86 WeakPolarHBondContact OD1-CB 3.24Å; N84-K86 PolarHBondContact OD1-N 2.78Å; K86-L90 WeakPolarHBondContact O-CB 3.28Å; K86-L90 PolarHBondContact O-N 3.02Å; K86-E202 PolarHBondContact NZ-O 3.28Å; K86-H203 PolarHBondContact NZ-O 3.15Å; K86-V204 HydrophobicContact CB-CG1 4.47Å; K86-V204 HydrophobicContact CB-CG2 4.2Å; K86-V204 HydrophobicContact CD-CG2 4.35Å
87F95.8Very high93.5Very high0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-76.6-33.5180-179-123.8000112L77 S81 N84 P85 L90 Q91 L180 V184 V204 V206 L227L77-F87 HydrophobicContact CD1-CE1 4.02Å; L77-F87 HydrophobicContact CD1-CZ 4.42Å; L77-F87 HydrophobicContact CD2-CE1 3.85Å; L77-F87 HydrophobicContact CD2-CZ 4.44Å; S81-F87 WeakPolarHBondContact O-CD1 3.45Å; N84-F87 HydrophobicContact CB-CB 4.05Å; N84-F87 PolarHBondContact O-N 3.13Å; P85-F87 VanDerWaalsContact C-N 3.31Å; P85-F87 PolarHBondContact O-N 3.44Å; F87-L90 HydrophobicContact CD2-CD2 4.45Å; F87-Q91 VanDerWaalsContact CD1-NE2 3.3Å; F87-Q91 VanDerWaalsContact CE1-NE2 3.3Å; F87-Q91 HydrophobicContact CE2-CG 4.37Å; F87-Q91 HydrophobicContact CZ-CG 4.39Å; F87-Q91 WeakPolarHBondContact O-CG 3.15Å; F87-Q91 PolarHBondContact O-N 3.47Å; F87-Q91 VanDerWaalsContact O-N 3.07Å; F87-Q91 PolarHBondContact O-NE2 3.37Å; F87-L180 HydrophobicContact CE1-CD2 3.75Å; F87-L180 HydrophobicContact CE1-CG 4.4Å; F87-L180 HydrophobicContact CZ-CD2 3.75Å; F87-L180 HydrophobicContact CZ-CG 3.89Å; F87-V184 HydrophobicContact CE2-CG1 4.42Å; F87-V184 HydrophobicContact CE2-CG2 4.2Å; F87-V204 HydrophobicContact CB-CG1 4.13Å; F87-V204 HydrophobicContact CD2-CG1 4.23Å; F87-V206 HydrophobicContact CB-CG1 4.17Å; F87-V206 HydrophobicContact CD1-CG1 4.03Å; F87-V206 HydrophobicContact CD2-CG1 3.74Å; F87-V206 HydrophobicContact CE1-CG1 4.36Å; F87-V206 HydrophobicContact CE2-CG1 4.1Å; F87-V206 HydrophobicContact CG-CG1 3.7Å; F87-V206 HydrophobicContact CZ-CG1 4.38Å; F87-L227 HydrophobicContact CD2-CD1 3.47Å; F87-L227 VanDerWaalsContact CD2-CD1 3.47Å; F87-L227 HydrophobicContact CE2-CD1 3.33Å; F87-L227 HydrophobicContact CZ-CD1 4.41Å
88K96.2Very high93.9Very high88 Ų8852.8 Ų52.838%0.38327%0.266SS..Hα-helixtrans-65.4-40.3169.8-70.9-176.8171.5-179.10111.9R82 E83 N84 P85 Q91 R92R82-K88 WeakPolarHBondContact O-CE 3.43Å; E83-K88 WeakPolarHBondContact OE1-CE 3.07Å; E83-K88 IonicContact OE1-NZ 3.86Å; E83-K88 PolarHBondContact OE1-NZ 3.46Å; E83-K88 IonicContact OE2-NZ 2.7Å; E83-K88 PolarHBondContact OE2-NZ 2.7Å; N84-K88 PolarHBondContact O-N 3.14Å; P85-K88 PolarHBondContact O-N 2.95Å; K88-Q91 PolarHBondContact O-N 2.87Å; K88-R92 WeakPolarHBondContact O-CB 3.47Å; K88-R92 PolarHBondContact O-N 3.14Å
89D96.1Very high94.4Very high62 Ų6253.5 Ų53.533%0.33227%0.27SS..Hα-helixtrans-68.4-39.1175.6-166.451.2000112.6P85 Q91 R92 V93 P201P85-D89 WeakPolarHBondContact O-CB 3.39Å; P85-D89 PolarHBondContact O-N 2.77Å; D89-Q91 PolarHBondContact O-N 3.09Å; D89-R92 WeakPolarHBondContact O-CB 3.42Å; D89-R92 PolarHBondContact O-N 3.32Å; D89-R92 IonicContact OD1-CZ 3.25Å; D89-R92 VanDerWaalsContact OD1-CZ 3.25Å; D89-R92 IonicContact OD1-NE 2.69Å; D89-R92 PolarHBondContact OD1-NE 3.42Å; D89-R92 IonicContact OD1-NH2 2.92Å; D89-R92 PolarHBondContact OD1-NH2 3.13Å; D89-R92 IonicContact OD2-NH2 2.61Å; D89-V93 WeakPolarHBondContact O-CG2 3.25Å; D89-V93 PolarHBondContact O-N 2.87Å; D89-P201 HydrophobicContact CB-CG 4.37Å; D89-P201 WeakPolarHBondContact OD2-CG 3.42Å
90L97.3Very high94.9Very high0 Ų055.5 Ų55.50%028%0.276CS..Hα-helixtrans-59.2-45.4172175.661.5000111.9K86 F87 V93 L94 V184 V188 L200 P201 V204 L227 T228K86-L90 WeakPolarHBondContact O-CB 3.28Å; K86-L90 PolarHBondContact O-N 3.02Å; F87-L90 HydrophobicContact CD2-CD2 4.45Å; L90-V93 PolarHBondContact O-N 3.2Å; L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.38Å; L90-L94 HydrophobicContact CG-CD1 4.32Å; L90-L94 WeakPolarHBondContact O-CG 3.23Å; L90-L94 PolarHBondContact O-N 3.29Å; L90-L94 VanDerWaalsContact O-N 3.1Å; L90-V184 HydrophobicContact CD2-CG1 3.79Å; L90-V184 HydrophobicContact CG-CG1 4.27Å; L90-V188 HydrophobicContact CD1-CG2 4.18Å; L90-L200 HydrophobicContact CD1-CB 4.39Å; L90-L200 HydrophobicContact CD1-CD2 3.94Å; L90-P201 HydrophobicContact CB-CG 4.41Å; L90-V204 HydrophobicContact CB-CG1 4.45Å; L90-V204 HydrophobicContact CB-CG2 4.41Å; L90-V204 HydrophobicContact CD2-CB 4.05Å; L90-V204 HydrophobicContact CD2-CG1 3.86Å; L90-V204 HydrophobicContact CD2-CG2 4.34Å; L90-L227 HydrophobicContact CD2-CB 4.01Å; L90-L227 HydrophobicContact CD2-CD1 4.03Å; L90-T228 HydrophobicContact CD1-CG2 3.94Å; L90-T228 HydrophobicContact CD2-CG2 4Å
91Q97.9Very high95.3Very high35 Ų3552.2 Ų52.216%0.16425%0.254CS..Hα-helixtrans-60.5-45.4174.6-73.6167.180.900111.7F87 K88 D89 L94 I95 L112 L180 V184F87-Q91 VanDerWaalsContact CD1-NE2 3.3Å; F87-Q91 VanDerWaalsContact CE1-NE2 3.3Å; F87-Q91 HydrophobicContact CE2-CG 4.37Å; F87-Q91 HydrophobicContact CZ-CG 4.39Å; F87-Q91 WeakPolarHBondContact O-CG 3.15Å; F87-Q91 PolarHBondContact O-N 3.47Å; F87-Q91 VanDerWaalsContact O-N 3.07Å; F87-Q91 PolarHBondContact O-NE2 3.37Å; K88-Q91 PolarHBondContact O-N 2.87Å; D89-Q91 PolarHBondContact O-N 3.09Å; Q91-L94 PolarHBondContact O-N 3.38Å; Q91-I95 VanDerWaalsContact O-CG1 3.27Å; Q91-I95 WeakPolarHBondContact O-CG1 3.5Å; Q91-I95 PolarHBondContact O-N 3.27Å; Q91-L112 HydrophobicContact CB-CD1 4.42Å; Q91-L112 HydrophobicContact CG-CD1 4.25Å; Q91-L180 HydrophobicContact CG-CD1 4.35Å; Q91-V184 HydrophobicContact CG-CG2 4.3Å
92R97.8Very high95.6Very high121 Ų12151.8 Ų51.846%0.45725%0.251SS..Hα-helixtrans-57.9-51.6177.1-176-165.161.679.6-4.4111.5K88 D89 L94 I95 D96K88-R92 WeakPolarHBondContact O-CB 3.47Å; K88-R92 PolarHBondContact O-N 3.14Å; D89-R92 WeakPolarHBondContact O-CB 3.42Å; D89-R92 PolarHBondContact O-N 3.32Å; D89-R92 IonicContact OD1-CZ 3.25Å; D89-R92 VanDerWaalsContact OD1-CZ 3.25Å; D89-R92 IonicContact OD1-NE 2.69Å; D89-R92 PolarHBondContact OD1-NE 3.42Å; D89-R92 IonicContact OD1-NH2 2.92Å; D89-R92 PolarHBondContact OD1-NH2 3.13Å; D89-R92 IonicContact OD2-NH2 2.61Å; R92-L94 VanDerWaalsContact C-N 3.25Å; R92-L94 PolarHBondContact O-N 3.13Å; R92-I95 PolarHBondContact O-N 3.42Å; R92-I95 VanDerWaalsContact O-N 3.07Å; R92-D96 WeakPolarHBondContact CG-OD2 3.39Å; R92-D96 IonicContact CZ-OD2 3.74Å; R92-D96 IonicContact NH1-OD2 4Å; R92-D96 PolarHBondContact NH1-OD2 3.1Å; R92-D96 WeakPolarHBondContact O-CB 3.42Å; R92-D96 PolarHBondContact O-N 3.3Å
93V97.1Very high95.8Very high18 Ų1854 Ų5411%0.10927%0.265CS..Hα-helixtrans-59.4-36179.2172.10000112D89 L90 W97 I198 L200D89-V93 WeakPolarHBondContact O-CG2 3.25Å; D89-V93 PolarHBondContact O-N 2.87Å; L90-V93 PolarHBondContact O-N 3.2Å; V93-W97 VanDerWaalsContact O-CB 3.32Å; V93-W97 WeakPolarHBondContact O-CB 3.37Å; V93-W97 PolarHBondContact O-N 3.5Å; V93-I198 HydrophobicContact CG1-CB 4.24Å; V93-I198 HydrophobicContact CG1-CD1 4.27Å; V93-L200 HydrophobicContact CG1-CD2 4.02Å
94L98.3Very high95.8Very high0 Ų055.5 Ų55.50%027%0.273CS..Hα-helixtrans-71.9-36.8174.5-70.2173.5000113.1L90 Q91 R92 W97 I98 L112 V184 L187 V188 L200L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.38Å; L90-L94 HydrophobicContact CG-CD1 4.32Å; L90-L94 WeakPolarHBondContact O-CG 3.23Å; L90-L94 PolarHBondContact O-N 3.29Å; L90-L94 VanDerWaalsContact O-N 3.1Å; Q91-L94 PolarHBondContact O-N 3.38Å; R92-L94 VanDerWaalsContact C-N 3.25Å; R92-L94 PolarHBondContact O-N 3.13Å; L94-W97 HydrophobicContact CD2-CE3 4.14Å; L94-I98 VanDerWaalsContact O-CD1 3.31Å; L94-I98 WeakPolarHBondContact O-CD1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 3.06Å; L94-I98 VanDerWaalsContact O-N 3.09Å; L94-L112 HydrophobicContact CB-CD1 4.47Å; L94-V184 HydrophobicContact CD1-CB 4.5Å; L94-V184 HydrophobicContact CD1-CG1 4.01Å; L94-V184 HydrophobicContact CD1-CG2 4.31Å; L94-L187 HydrophobicContact CD1-CB 4.04Å; L94-L187 HydrophobicContact CD2-CB 4.07Å; L94-V188 HydrophobicContact CD1-CG2 4.15Å; L94-L200 HydrophobicContact CD2-CD2 3.75Å; L94-L200 HydrophobicContact CG-CD2 4.24Å
95I98.3Very high95.8Very high26 Ų2656.1 Ų56.113%0.13328%0.276CS..Hα-helixtrans-67.1-48.2175-69.2166.4000110.4Q91 R92 W97 I98 N99 V109 L112Q91-I95 VanDerWaalsContact O-CG1 3.27Å; Q91-I95 WeakPolarHBondContact O-CG1 3.5Å; Q91-I95 PolarHBondContact O-N 3.27Å; R92-I95 PolarHBondContact O-N 3.42Å; R92-I95 VanDerWaalsContact O-N 3.07Å; I95-W97 VanDerWaalsContact C-N 3.27Å; I95-W97 PolarHBondContact O-N 3.05Å; I95-I98 PolarHBondContact O-N 3.29Å; I95-N99 WeakPolarHBondContact CG2-ND2 3.5Å; I95-N99 WeakPolarHBondContact O-CB 3.44Å; I95-N99 VanDerWaalsContact O-CG 3.29Å; I95-N99 PolarHBondContact O-N 3.01Å; I95-N99 PolarHBondContact O-ND2 3.35Å; I95-V109 HydrophobicContact CG1-CG1 4.02Å; I95-V109 HydrophobicContact CG2-CB 4.34Å; I95-V109 HydrophobicContact CG2-CG1 4.13Å; I95-V109 WeakPolarHBondContact CG2-O 3.34Å; I95-L112 HydrophobicContact CD1-CD2 4.45Å; I95-L112 HydrophobicContact CD1-CG 4.22Å; I95-L112 HydrophobicContact CG1-CD2 3.62Å; I95-L112 HydrophobicContact CG1-CG 3.89Å
96D95.9Very high95.8Very high65 Ų6561.9 Ų61.935%0.34828%0.284SS..Hα-helixtrans-57.7-41.9177.2-63.9-18.8000110.6R92 N100R92-D96 WeakPolarHBondContact CG-OD2 3.39Å; R92-D96 IonicContact CZ-OD2 3.74Å; R92-D96 IonicContact NH1-OD2 4Å; R92-D96 PolarHBondContact NH1-OD2 3.1Å; R92-D96 WeakPolarHBondContact O-CB 3.42Å; R92-D96 PolarHBondContact O-N 3.3Å; D96-N100 PolarHBondContact O-N 3.45Å; D96-N100 VanDerWaalsContact O-N 3.13Å; D96-N100 PolarHBondContact O-ND2 3.41Å; D96-N100 PolarHBondContact O-OD1 3.14Å
97W97.2Very high95.9Very high3 Ų358.9 Ų58.91%0.01127%0.272CS..Hα-helixtrans-59.6-55.1173.9176.244.9000113.1V93 L94 I95 N99 N100 E101 L125 L129 L187 L190 A191 A196 I198V93-W97 VanDerWaalsContact O-CB 3.32Å; V93-W97 WeakPolarHBondContact O-CB 3.37Å; V93-W97 PolarHBondContact O-N 3.5Å; L94-W97 HydrophobicContact CD2-CE3 4.14Å; I95-W97 VanDerWaalsContact C-N 3.27Å; I95-W97 PolarHBondContact O-N 3.05Å; W97-N99 PolarHBondContact O-N 3.12Å; W97-N100 PolarHBondContact O-N 3.25Å; W97-N100 VanDerWaalsContact O-N 3.1Å; W97-E101 HydrophobicContact CG-CG 4.43Å; W97-E101 HydrophobicContact CZ2-CG 4.49Å; W97-E101 PolarHBondContact NE1-OE1 3.17Å; W97-E101 WeakPolarHBondContact O-CG 3.39Å; W97-E101 PolarHBondContact O-N 3.37Å; W97-L125 HydrophobicContact CH2-CD1 4.19Å; W97-L125 HydrophobicContact CH2-CD2 4.04Å; W97-L125 HydrophobicContact CH2-CG 4.42Å; W97-L125 HydrophobicContact CZ2-CD1 4.24Å; W97-L125 HydrophobicContact CZ3-CD2 3.98Å; W97-L129 HydrophobicContact CH2-CD1 3.76Å; W97-L129 HydrophobicContact CZ2-CD1 3.64Å; W97-L129 HydrophobicContact CZ2-CD2 4.05Å; W97-L129 HydrophobicContact CZ2-CG 4.45Å; W97-L187 HydrophobicContact CZ3-CD2 4.47Å; W97-L190 HydrophobicContact CH2-CB 4.16Å; W97-A191 HydrophobicContact CD2-CB 4.43Å; W97-A191 HydrophobicContact CE3-CB 4.04Å; W97-A191 HydrophobicContact CH2-CB 3.76Å; W97-A191 HydrophobicContact CZ2-CB 4.16Å; W97-A191 HydrophobicContact CZ3-CB 3.7Å; W97-A196 HydrophobicContact CD2-CB 4.43Å; W97-A196 HydrophobicContact CZ2-CB 3.9Å; W97-I198 HydrophobicContact CB-CD1 3.76Å; W97-I198 HydrophobicContact CB-CG2 3.97Å; W97-I198 HydrophobicContact CD2-CD1 3.91Å; W97-I198 HydrophobicContact CE3-CD1 4.3Å; W97-I198 HydrophobicContact CG-CD1 3.65Å; W97-I198 HydrophobicContact CG-CG2 4.05Å
98I98.1Very high95.9Very high0 Ų064.7 Ų64.70%030%0.302CS..Hα-helixtrans-62.2-37-175.9-63.8160.8000110.9L94 I95 E101 L102 V109 L112 V121 L125 L187L94-I98 VanDerWaalsContact O-CD1 3.31Å; L94-I98 WeakPolarHBondContact O-CD1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 3.06Å; L94-I98 VanDerWaalsContact O-N 3.09Å; I95-I98 PolarHBondContact O-N 3.29Å; I98-E101 PolarHBondContact O-N 3.43Å; I98-L102 HydrophobicContact CG2-CD1 3.8Å; I98-L102 HydrophobicContact CG2-CG 4.43Å; I98-L102 WeakPolarHBondContact O-CB 3.27Å; I98-L102 WeakPolarHBondContact O-CG 3.39Å; I98-L102 PolarHBondContact O-N 2.86Å; I98-V109 HydrophobicContact CB-CG2 4.42Å; I98-V109 HydrophobicContact CG2-CG2 3.71Å; I98-L112 HydrophobicContact CD1-CD2 4.04Å; I98-V121 HydrophobicContact CG2-CG1 3.69Å; I98-L125 HydrophobicContact CG1-CD1 4.27Å; I98-L125 HydrophobicContact CG1-CD2 4.02Å; I98-L125 HydrophobicContact CG2-CD1 4.49Å; I98-L187 HydrophobicContact CD1-CD1 3.84Å; I98-L187 HydrophobicContact CD1-CD2 3.73Å; I98-L187 HydrophobicContact CD1-CG 4.4Å; I98-L187 HydrophobicContact CG1-CD2 4.41Å
99N97.6Very high96Very high35 Ų3560.6 Ų60.619%0.18729%0.285CS..Hα-helixtrans-64.3-40.7175.8-73.5-24.7000112.1I95 W97 L102 E103 I108 V109I95-N99 WeakPolarHBondContact CG2-ND2 3.5Å; I95-N99 WeakPolarHBondContact O-CB 3.44Å; I95-N99 VanDerWaalsContact O-CG 3.29Å; I95-N99 PolarHBondContact O-N 3.01Å; I95-N99 PolarHBondContact O-ND2 3.35Å; W97-N99 PolarHBondContact O-N 3.12Å; N99-L102 PolarHBondContact O-N 3.17Å; N99-E103 PolarHBondContact O-N 3.33Å; N99-I108 WeakPolarHBondContact OD1-CA 3.47Å; N99-V109 PolarHBondContact ND2-O 3.43Å; N99-V109 PolarHBondContact OD1-N 2.88Å
100N94.3Very high96Very high122 Ų12266 Ų6665%0.65231%0.305SS*.Hα-helixtrans-68.8-41.3176.4-66.2-10.3000112.1D96 W97 L102D96-N100 PolarHBondContact O-N 3.45Å; D96-N100 VanDerWaalsContact O-N 3.13Å; D96-N100 PolarHBondContact O-ND2 3.41Å; D96-N100 PolarHBondContact O-OD1 3.14Å; W97-N100 PolarHBondContact O-N 3.25Å; W97-N100 VanDerWaalsContact O-N 3.1Å; N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.95Å
101E94.4Very high96Very high39 Ų3967.2 Ų67.218%0.18232%0.317CS..Hα-helixtrans-65.9-30.9177.5-65.3-72.8176.700112.6W97 I98 L125 K128W97-E101 HydrophobicContact CG-CG 4.43Å; W97-E101 HydrophobicContact CZ2-CG 4.49Å; W97-E101 PolarHBondContact NE1-OE1 3.17Å; W97-E101 WeakPolarHBondContact O-CG 3.39Å; W97-E101 PolarHBondContact O-N 3.37Å; I98-E101 PolarHBondContact O-N 3.43Å; E101-L125 HydrophobicContact CB-CD1 4.05Å; E101-L125 HydrophobicContact CG-CD1 4.2Å; E101-K128 WeakPolarHBondContact O-CE 3.43Å
102L96.1Very high96Very high0 Ų065.7 Ų65.70%031%0.31CS..THydrogen-bonded Turntrans-112.915.4-172.1-56.4-179.1000114.6I98 N99 N100 E104 D105 R106 I107 V121 K124 L125 K128I98-L102 HydrophobicContact CG2-CD1 3.8Å; I98-L102 HydrophobicContact CG2-CG 4.43Å; I98-L102 WeakPolarHBondContact O-CB 3.27Å; I98-L102 WeakPolarHBondContact O-CG 3.39Å; I98-L102 PolarHBondContact O-N 2.86Å; N99-L102 PolarHBondContact O-N 3.17Å; N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.95Å; L102-E104 VanDerWaalsContact C-N 3.3Å; L102-E104 PolarHBondContact O-N 3.38Å; L102-D105 CarbonylContact O-C 3.59Å; L102-D105 PolarHBondContact O-N 2.85Å; L102-D105 VanDerWaalsContact O-N 3.17Å; L102-R106 PolarHBondContact O-N 2.98Å; L102-R106 VanDerWaalsContact O-N 3.14Å; L102-I107 HydrophobicContact CB-CB 3.94Å; L102-I107 HydrophobicContact CB-CD1 4.41Å; L102-I107 HydrophobicContact CB-CG2 4.47Å; L102-I107 HydrophobicContact CD1-CB 4.34Å; L102-I107 HydrophobicContact CD1-CD1 4.05Å; L102-I107 HydrophobicContact CD1-CG2 4.12Å; L102-I107 PolarHBondContact O-N 2.61Å; L102-V121 HydrophobicContact CD1-CG1 4.4Å; L102-K124 HydrophobicContact CD1-CB 4.03Å; L102-K124 HydrophobicContact CD2-CB 4.14Å; L102-L125 HydrophobicContact CD1-CB 4.34Å; L102-K128 HydrophobicContact CD2-CB 4.03Å; L102-K128 HydrophobicContact CD2-CG 4.37Å
103E92.6Very high95.9Very high149 Ų14961.9 Ų61.970%0.69630%0.297SS*.THydrogen-bonded Turntrans-57.4-42.7176.7-174.3178-158.100111.6N99 D105 R106N99-E103 PolarHBondContact O-N 3.33Å; E103-D105 VanDerWaalsContact C-N 3.34Å; E103-D105 PolarHBondContact O-N 3.3Å; E103-R106 WeakPolarHBondContact O-CA 3.41Å; E103-R106 PolarHBondContact O-N 3.11Å
104E90.8Very high95.8Very high153 Ų15366.3 Ų66.372%0.71532%0.317SS*.THydrogen-bonded Turntrans-63-37.4177.5-63.6-177.6135.600113L102 R106 K128L102-E104 VanDerWaalsContact C-N 3.3Å; L102-E104 PolarHBondContact O-N 3.38Å; E104-R106 PolarHBondContact O-N 2.65Å; E104-K128 IonicContact OE2-NZ 3.33Å; E104-K128 PolarHBondContact OE2-NZ 3Å
105D92.5Very high95.8Very high61 Ų6168.6 Ų68.633%0.32633%0.329SS..THydrogen-bonded Turntrans-74.7-6.2173.6-89.9-81.8000112.5L102 E103 I107 K124L102-D105 CarbonylContact O-C 3.59Å; L102-D105 PolarHBondContact O-N 2.85Å; L102-D105 VanDerWaalsContact O-N 3.17Å; E103-D105 VanDerWaalsContact C-N 3.34Å; E103-D105 PolarHBondContact O-N 3.3Å; D105-I107 VanDerWaalsContact C-N 3.28Å; D105-I107 HydrophobicContact CB-CD1 3.84Å; D105-I107 HydrophobicContact CB-CG1 4.11Å; D105-I107 PolarHBondContact O-N 2.92Å; D105-K124 WeakPolarHBondContact OD1-CE 3.48Å; D105-K124 IonicContact OD1-NZ 3.98Å; D105-K124 PolarHBondContact OD1-NZ 3.04Å
106R94.8Very high95.8Very high226 Ų22667.3 Ų67.385%0.85332%0.323SS*.THydrogen-bonded Turntrans60.232.4-178.1-53.1179.5180179.5-1.3114L102 E103 E104L102-R106 PolarHBondContact O-N 2.98Å; L102-R106 VanDerWaalsContact O-N 3.14Å; E103-R106 WeakPolarHBondContact O-CA 3.41Å; E103-R106 PolarHBondContact O-N 3.11Å; E104-R106 PolarHBondContact O-N 2.65Å
107I94.7Very high95.8Very high33 Ų3367.2 Ų67.217%0.16932%0.318CS..  trans-91.6133.5178.1-65.5168.2000108.5L102 D105 V109 V121 K124L102-I107 HydrophobicContact CB-CB 3.94Å; L102-I107 HydrophobicContact CB-CD1 4.41Å; L102-I107 HydrophobicContact CB-CG2 4.47Å; L102-I107 HydrophobicContact CD1-CB 4.34Å; L102-I107 HydrophobicContact CD1-CD1 4.05Å; L102-I107 HydrophobicContact CD1-CG2 4.12Å; L102-I107 PolarHBondContact O-N 2.61Å; D105-I107 VanDerWaalsContact C-N 3.28Å; D105-I107 HydrophobicContact CB-CD1 3.84Å; D105-I107 HydrophobicContact CB-CG1 4.11Å; D105-I107 PolarHBondContact O-N 2.92Å; I107-V109 HydrophobicContact CG2-CG2 4.49Å; I107-V121 HydrophobicContact CG2-CG2 3.99Å; I107-K124 HydrophobicContact CD1-CB 3.67Å; I107-K124 HydrophobicContact CD1-CD 4.17Å; I107-K124 HydrophobicContact CD1-CG 3.61Å
108I96.6Very high95.7Very high122 Ų12268.7 Ų68.763%0.62633%0.326SS*.  trans-129.9103.9178.8-55.6177.2000108.9N99N99-I108 WeakPolarHBondContact OD1-CA 3.47Å
109V97.6Very high95.6Very high3 Ų368.7 Ų68.72%0.01833%0.326CS..  trans-78.4137.9170.8179.30000109.9I95 I98 N99 I107 L112 D115 V121I95-V109 HydrophobicContact CG1-CG1 4.02Å; I95-V109 HydrophobicContact CG2-CB 4.34Å; I95-V109 HydrophobicContact CG2-CG1 4.13Å; I95-V109 WeakPolarHBondContact CG2-O 3.34Å; I98-V109 HydrophobicContact CB-CG2 4.42Å; I98-V109 HydrophobicContact CG2-CG2 3.71Å; N99-V109 PolarHBondContact ND2-O 3.43Å; N99-V109 PolarHBondContact OD1-N 2.88Å; I107-V109 HydrophobicContact CG2-CG2 4.49Å; V109-L112 HydrophobicContact CG1-CD2 4.12Å; V109-D115 WeakPolarHBondContact CA-OD2 3.26Å; V109-D115 HydrophobicContact CB-CB 4.49Å; V109-D115 HydrophobicContact CG1-CB 4.06Å; V109-D115 HydrophobicContact CG2-CB 4.3Å; V109-V121 HydrophobicContact CG2-CG1 3.74Å; V109-V121 HydrophobicContact CG2-CG2 4.08Å
110K96.3Very high95.5Very high176 Ų17669.2 Ų69.277%0.76533%0.327SS*.SBendtrans-126.2-25.1176.3-63.2176.1-175.4170.90112.7D115K110-D115 PolarHBondContact N-OD2 3.17Å
111G96.3Very high95.6Very high24 Ų2463.9 Ų63.925%0.24730%0.299CS..  trans-158.4118.9178.700000111.6E113 E114 D115G111-E113 PolarHBondContact O-N 3.15Å; G111-E113 VanDerWaalsContact O-N 3.11Å; G111-E114 PolarHBondContact O-N 3.42Å; G111-D115 PolarHBondContact N-OD2 2.94Å; G111-D115 PolarHBondContact O-N 2.56Å
112L97.9Very high95.8Very high3 Ų362.2 Ų62.22%0.01629%0.291CS..Hα-helixtrans-55.7-34.5-172.6-59.3179.8000113.7Q91 L94 I95 I98 V109 C116 L180 I183 V184 L187Q91-L112 HydrophobicContact CB-CD1 4.42Å; Q91-L112 HydrophobicContact CG-CD1 4.25Å; L94-L112 HydrophobicContact CB-CD1 4.47Å; I95-L112 HydrophobicContact CD1-CD2 4.45Å; I95-L112 HydrophobicContact CD1-CG 4.22Å; I95-L112 HydrophobicContact CG1-CD2 3.62Å; I95-L112 HydrophobicContact CG1-CG 3.89Å; I98-L112 HydrophobicContact CD1-CD2 4.04Å; V109-L112 HydrophobicContact CG1-CD2 4.12Å; L112-C116 VanDerWaalsContact O-CB 3.24Å; L112-C116 WeakPolarHBondContact O-CB 3.5Å; L112-C116 PolarHBondContact O-N 2.93Å; L112-L180 HydrophobicContact CB-CD1 3.93Å; L112-L180 HydrophobicContact CD1-CD1 4.23Å; L112-I183 HydrophobicContact CB-CG2 3.97Å; L112-V184 HydrophobicContact CD1-CG2 3.85Å; L112-L187 HydrophobicContact CD1-CD1 4.02Å; L112-L187 HydrophobicContact CD2-CD1 3.74Å; L112-L187 HydrophobicContact CG-CD1 4.41Å
113E96.1Very high95.8Very high41 Ų4162.7 Ų62.719%0.19229%0.294CS..Hα-helixtrans-68-32.9176-69.9168.8135.700113.5R82 G111 K178 L180R82-E113 IonicContact CZ-OE1 2.62Å; R82-E113 IonicContact CZ-OE2 2.72Å; R82-E113 IonicContact NH1-OE1 3.43Å; R82-E113 PolarHBondContact NH1-OE1 2.95Å; R82-E113 IonicContact NH1-OE2 3.69Å; R82-E113 PolarHBondContact NH1-OE2 2.96Å; R82-E113 IonicContact NH2-OE1 3.74Å; R82-E113 PolarHBondContact NH2-OE1 3.14Å; R82-E113 IonicContact NH2-OE2 2.9Å; R82-E113 PolarHBondContact NH2-OE2 3.15Å; G111-E113 PolarHBondContact O-N 3.15Å; G111-E113 VanDerWaalsContact O-N 3.11Å; E113-K178 HydrophobicContact CB-CB 4.24Å; E113-K178 WeakPolarHBondContact O-CD 3.49Å; E113-K178 VanDerWaalsContact O-CE 3.3Å; E113-K178 WeakPolarHBondContact O-CE 3.37Å; E113-K178 VanDerWaalsContact O-CG 3.3Å; E113-K178 WeakPolarHBondContact O-CG 3.35Å; E113-L180 HydrophobicContact CG-CB 3.7Å; E113-L180 HydrophobicContact CG-CD1 4.08Å; E113-L180 HydrophobicContact CG-CG 4.29Å; E113-L180 WeakPolarHBondContact OE1-CB 3.32Å
114E96.4Very high96Very high112 Ų11257.8 Ų57.852%0.52327%0.27SS..Hα-helixtrans-93.8-30.2-174.9-64.4-56.6127.400112.7G111 Y117 K178G111-E114 PolarHBondContact O-N 3.42Å; E114-Y117 VanDerWaalsContact O-CD1 3.22Å; E114-Y117 WeakPolarHBondContact O-CD1 3.39Å; E114-Y117 VanDerWaalsContact O-CE1 3.31Å; E114-Y117 WeakPolarHBondContact O-CE1 3.5Å; E114-K178 IonicContact OE1-NZ 3.49Å; E114-K178 PolarHBondContact OE1-NZ 3.48Å; E114-K178 IonicContact OE2-NZ 3.68Å; E114-K178 PolarHBondContact OE2-NZ 3.03Å
115D97.4Very high96.4Very high47 Ų4750.5 Ų50.525%0.25124%0.236SC..Hα-helixtrans-100-20.1-174-57-53.4000113.8V109 K110 G111 V121V109-D115 WeakPolarHBondContact CA-OD2 3.26Å; V109-D115 HydrophobicContact CB-CB 4.49Å; V109-D115 HydrophobicContact CG1-CB 4.06Å; V109-D115 HydrophobicContact CG2-CB 4.3Å; K110-D115 PolarHBondContact N-OD2 3.17Å; G111-D115 PolarHBondContact N-OD2 2.94Å; G111-D115 PolarHBondContact O-N 2.56Å; D115-V121 HydrophobicContact CB-CG2 4.3Å; D115-V121 WeakPolarHBondContact O-CB 3.49Å; D115-V121 WeakPolarHBondContact O-CG2 3.42Å
116C97.5Very high96.6Very high0 Ų047.8 Ų47.80%022%0.221CC..SBendtrans-101.4-16.6-178-58.70000115L112 D118 G119 L122 I183L112-C116 VanDerWaalsContact O-CB 3.24Å; L112-C116 WeakPolarHBondContact O-CB 3.5Å; L112-C116 PolarHBondContact O-N 2.93Å; C116-D118 VanDerWaalsContact C-N 3.3Å; C116-D118 PolarHBondContact O-N 3.47Å; C116-G119 PolarHBondContact O-N 2.92Å; C116-L122 HydrophobicContact CB-CD1 4.19Å; C116-L122 HydrophobicContact CB-CD2 4.18Å; C116-L122 HydrophobicContact CB-CG 4.01Å; C116-L122 WeakPolarHBondContact O-CD1 3.38Å; C116-I183 HydrophobicContact CB-CG2 4Å
117Y96.8Very high96.7Very high62 Ų6237.7 Ų37.724%0.24318%0.184CC..THydrogen-bonded Turntrans-68-22.4-168.285.4-77.6000114.9E114 L150 I175 H176 K178E114-Y117 VanDerWaalsContact O-CD1 3.22Å; E114-Y117 WeakPolarHBondContact O-CD1 3.39Å; E114-Y117 VanDerWaalsContact O-CE1 3.31Å; E114-Y117 WeakPolarHBondContact O-CE1 3.5Å; Y117-L150 WeakPolarHBondContact O-CD1 3.28Å; Y117-I175 WeakPolarHBondContact CA-O 3.38Å; Y117-I175 WeakPolarHBondContact CB-O 3.42Å; Y117-H176 WeakPolarHBondContact O-CA 3.18Å; Y117-H176 PolarHBondContact O-CD2 2.63Å; Y117-K178 HydrophobicContact CD2-CG 4.49Å; Y117-K178 HydrophobicContact CG-CG 4.06Å
118D94.5Very high96.7Very high34 Ų3440.1 Ų40.118%0.18219%0.193CC..THydrogen-bonded Turntrans-88.1-9.3179.378.5-17.3000113.1C116 Q120 Q146 K149C116-D118 VanDerWaalsContact C-N 3.3Å; C116-D118 PolarHBondContact O-N 3.47Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.38Å; D118-Q120 PolarHBondContact OD1-N 2.89Å; D118-Q146 HydrophobicContact CB-CB 4.5Å; D118-Q146 HydrophobicContact CB-CG 3.95Å; D118-K149 WeakPolarHBondContact O-CD 3.31Å
119G95.6Very high96.5Very high0 Ų035.7 Ų35.70%017%0.171CC..SBendtrans86-2.9-17700000115.8C116 Q123 L150C116-G119 PolarHBondContact O-N 2.92Å; G119-Q123 WeakPolarHBondContact O-CB 3.43Å; G119-Q123 PolarHBondContact O-N 2.83Å; G119-L150 VanDerWaalsContact CA-CD2 3.47Å
120Q95.7Very high96.2Very high47 Ų4736.7 Ų36.722%0.2218%0.178CC..Hα-helixtrans-67.8-52.3-174.9-175.169200112.5D118 L122 Q123 K124 E138D118-Q120 WeakPolarHBondContact OD1-CB 3.38Å; D118-Q120 PolarHBondContact OD1-N 2.89Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.27Å; Q120-Q123 PolarHBondContact O-N 3.24Å; Q120-K124 PolarHBondContact O-N 3.25Å; Q120-K124 VanDerWaalsContact O-N 3.11Å; Q120-E138 PolarHBondContact NE2-O 3.43Å; Q120-E138 PolarHBondContact OE1-O 2.72Å; Q120-E138 VanDerWaalsContact OE1-O 3.13Å
121V97.3Very high96Very high10 Ų1031.8 Ų31.86%0.06118%0.177CC..Hα-helixtrans-63-41177.5171.70000110.7I98 L102 I107 V109 D115 K124 L125I98-V121 HydrophobicContact CG2-CG1 3.69Å; L102-V121 HydrophobicContact CD1-CG1 4.4Å; I107-V121 HydrophobicContact CG2-CG2 3.99Å; V109-V121 HydrophobicContact CG2-CG1 3.74Å; V109-V121 HydrophobicContact CG2-CG2 4.08Å; D115-V121 HydrophobicContact CB-CG2 4.3Å; D115-V121 WeakPolarHBondContact O-CB 3.49Å; D115-V121 WeakPolarHBondContact O-CG2 3.42Å; V121-K124 PolarHBondContact O-N 2.9Å; V121-L125 VanDerWaalsContact O-CB 3.32Å; V121-L125 WeakPolarHBondContact O-CB 3.28Å; V121-L125 PolarHBondContact O-N 3.48Å
122L97.9Very high95.8Very high3 Ų338.5 Ų38.52%0.01620%0.195CC..Hα-helixtrans-66.2-39.4179.9-61.7175.4000112.3C116 Q120 F126 L150 V153 I175 L186 L187C116-L122 HydrophobicContact CB-CD1 4.19Å; C116-L122 HydrophobicContact CB-CD2 4.18Å; C116-L122 HydrophobicContact CB-CG 4.01Å; C116-L122 WeakPolarHBondContact O-CD1 3.38Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.27Å; L122-F126 WeakPolarHBondContact O-CB 3.29Å; L122-F126 PolarHBondContact O-N 2.73Å; L122-F126 VanDerWaalsContact O-N 3.08Å; L122-L150 HydrophobicContact CD1-CD2 4.11Å; L122-V153 HydrophobicContact CB-CG1 4.02Å; L122-I175 HydrophobicContact CD1-CG2 3.74Å; L122-L186 HydrophobicContact CD1-CD2 3.72Å; L122-L186 HydrophobicContact CD2-CD2 3.85Å; L122-L186 HydrophobicContact CG-CD2 4.37Å; L122-L187 HydrophobicContact CD2-CD2 3.94Å
123Q97.1Very high95.6Very high11 Ų1145.6 Ų45.65%0.05123%0.226CC..Hα-helixtrans-57-55.9169.8179.8-162.9-18.700110G119 Q120 L125 F126 E127 L134 V136 V153G119-Q123 WeakPolarHBondContact O-CB 3.43Å; G119-Q123 PolarHBondContact O-N 2.83Å; Q120-Q123 PolarHBondContact O-N 3.24Å; Q123-L125 PolarHBondContact O-N 3.32Å; Q123-F126 PolarHBondContact O-N 3.27Å; Q123-F126 VanDerWaalsContact O-N 3.15Å; Q123-E127 HydrophobicContact CG-CG 4.21Å; Q123-E127 PolarHBondContact NE2-OE1 3Å; Q123-E127 WeakPolarHBondContact O-CG 3.47Å; Q123-E127 PolarHBondContact O-N 3.07Å; Q123-L134 HydrophobicContact CG-CB 4.45Å; Q123-L134 HydrophobicContact CG-CD1 4.2Å; Q123-V136 HydrophobicContact CG-CG2 3.92Å; Q123-V153 HydrophobicContact CB-CG2 3.72Å; Q123-V153 HydrophobicContact CG-CG2 4.27Å
124K97.1Very high95.5Very high46 Ų4645 Ų4520%0.222%0.223CC..Hα-helixtrans-63-43.5-171.9-76.4-76.4-167.5167.60112.4L102 D105 I107 Q120 V121 E127 K128L102-K124 HydrophobicContact CD1-CB 4.03Å; L102-K124 HydrophobicContact CD2-CB 4.14Å; D105-K124 WeakPolarHBondContact OD1-CE 3.48Å; D105-K124 IonicContact OD1-NZ 3.98Å; D105-K124 PolarHBondContact OD1-NZ 3.04Å; I107-K124 HydrophobicContact CD1-CB 3.67Å; I107-K124 HydrophobicContact CD1-CD 4.17Å; I107-K124 HydrophobicContact CD1-CG 3.61Å; Q120-K124 PolarHBondContact O-N 3.25Å; Q120-K124 VanDerWaalsContact O-N 3.11Å; V121-K124 PolarHBondContact O-N 2.9Å; K124-E127 PolarHBondContact O-N 2.88Å; K124-K128 WeakPolarHBondContact O-CB 3.38Å; K124-K128 PolarHBondContact O-N 3.09Å
125L97.8Very high95.3Very high0 Ų047.3 Ų47.30%024%0.239CC..Hα-helixtrans-57.3-48.5172.3-174.667.8000111.3W97 I98 E101 L102 V121 Q123 E127 K128 L129 L187 L190W97-L125 HydrophobicContact CH2-CD1 4.19Å; W97-L125 HydrophobicContact CH2-CD2 4.04Å; W97-L125 HydrophobicContact CH2-CG 4.42Å; W97-L125 HydrophobicContact CZ2-CD1 4.24Å; W97-L125 HydrophobicContact CZ3-CD2 3.98Å; I98-L125 HydrophobicContact CG1-CD1 4.27Å; I98-L125 HydrophobicContact CG1-CD2 4.02Å; I98-L125 HydrophobicContact CG2-CD1 4.49Å; E101-L125 HydrophobicContact CB-CD1 4.05Å; E101-L125 HydrophobicContact CG-CD1 4.2Å; L102-L125 HydrophobicContact CD1-CB 4.34Å; V121-L125 VanDerWaalsContact O-CB 3.32Å; V121-L125 WeakPolarHBondContact O-CB 3.28Å; V121-L125 PolarHBondContact O-N 3.48Å; Q123-L125 PolarHBondContact O-N 3.32Å; L125-E127 PolarHBondContact O-N 3.02Å; L125-K128 PolarHBondContact O-N 2.62Å; L125-L129 HydrophobicContact CD1-CD1 3.93Å; L125-L129 HydrophobicContact CD1-CG 4.33Å; L125-L129 HydrophobicContact CG-CD1 3.81Å; L125-L129 WeakPolarHBondContact O-CB 3.46Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.31Å; L125-L129 PolarHBondContact O-N 2.83Å; L125-L187 HydrophobicContact CD2-CD2 3.56Å; L125-L190 HydrophobicContact CD2-CD1 4.45Å
126F97.5Very high95Very high4 Ų446.4 Ų46.42%0.01824%0.235CC..Hα-helixtrans-64.4-40.2178.2-175.3-94.6000112.7L122 Q123 S130 L134 A156 V157 L160 L190L122-F126 WeakPolarHBondContact O-CB 3.29Å; L122-F126 PolarHBondContact O-N 2.73Å; L122-F126 VanDerWaalsContact O-N 3.08Å; Q123-F126 PolarHBondContact O-N 3.27Å; Q123-F126 VanDerWaalsContact O-N 3.15Å; F126-S130 WeakPolarHBondContact O-CB 3.18Å; F126-S130 PolarHBondContact O-N 3.09Å; F126-S130 PolarHBondContact O-OG 3.37Å; F126-L134 HydrophobicContact CD1-CD1 3.79Å; F126-L134 HydrophobicContact CD1-CD2 4.21Å; F126-L134 HydrophobicContact CD1-CG 4.11Å; F126-L134 HydrophobicContact CE1-CD1 4.39Å; F126-L134 HydrophobicContact CE1-CD2 4.04Å; F126-L134 HydrophobicContact CE1-CG 4.44Å; F126-A156 HydrophobicContact CE1-CB 3.73Å; F126-A156 HydrophobicContact CZ-CB 3.8Å; F126-V157 HydrophobicContact CD2-CG2 3.43Å; F126-V157 VanDerWaalsContact CD2-CG2 3.43Å; F126-V157 HydrophobicContact CE2-CB 4.41Å; F126-V157 HydrophobicContact CE2-CG2 3.75Å; F126-V157 HydrophobicContact CG-CG2 4.13Å; F126-L160 HydrophobicContact CE2-CD2 3.86Å; F126-L190 HydrophobicContact CD2-CD2 4.27Å
127E96.4Very high94.4Very high13 Ų1349.4 Ų49.46%0.06126%0.26CS..Hα-helixtrans-64.2-41177.3-69.7-172.3169.200112.4Q123 K124 L125 G131 R132 K133 L134Q123-E127 HydrophobicContact CG-CG 4.21Å; Q123-E127 PolarHBondContact NE2-OE1 3Å; Q123-E127 WeakPolarHBondContact O-CG 3.47Å; Q123-E127 PolarHBondContact O-N 3.07Å; K124-E127 PolarHBondContact O-N 2.88Å; L125-E127 PolarHBondContact O-N 3.02Å; E127-G131 WeakPolarHBondContact O-CA 3.42Å; E127-G131 PolarHBondContact O-N 3.05Å; E127-G131 VanDerWaalsContact O-N 3.1Å; E127-R132 WeakPolarHBondContact CA-O 3.27Å; E127-R132 WeakPolarHBondContact CG-O 3.45Å; E127-K133 HydrophobicContact CB-CD 4.24Å; E127-K133 VanDerWaalsContact CD-CD 3.44Å; E127-K133 HydrophobicContact CG-CD 4.11Å; E127-K133 WeakPolarHBondContact OE2-CD 3.41Å; E127-K133 WeakPolarHBondContact OE2-CE 3.49Å; E127-K133 IonicContact OE2-NZ 3.5Å; E127-K133 PolarHBondContact OE2-NZ 2.79Å; E127-L134 HydrophobicContact CG-CG 4.34Å; E127-L134 PolarHBondContact OE1-N 2.8Å
128K94.3Very high93.6Very high84 Ų8454.2 Ų54.237%0.36529%0.285SS..Hα-helixtrans-64.2-52.3176.9179.673.3174.8-179.10111E101 L102 E104 K124 L125E101-K128 WeakPolarHBondContact O-CE 3.43Å; L102-K128 HydrophobicContact CD2-CB 4.03Å; L102-K128 HydrophobicContact CD2-CG 4.37Å; E104-K128 IonicContact OE2-NZ 3.33Å; E104-K128 PolarHBondContact OE2-NZ 3Å; K124-K128 WeakPolarHBondContact O-CB 3.38Å; K124-K128 PolarHBondContact O-N 3.09Å; L125-K128 PolarHBondContact O-N 2.62Å
129L92.6Very high93.1Very high30 Ų3057.8 Ų57.816%0.15731%0.308CS..Hα-helixtrans-69-40.9-177-65.7172.5000113.1W97 L125 Y194W97-L129 HydrophobicContact CH2-CD1 3.76Å; W97-L129 HydrophobicContact CZ2-CD1 3.64Å; W97-L129 HydrophobicContact CZ2-CD2 4.05Å; W97-L129 HydrophobicContact CZ2-CG 4.45Å; L125-L129 HydrophobicContact CD1-CD1 3.93Å; L125-L129 HydrophobicContact CD1-CG 4.33Å; L125-L129 HydrophobicContact CG-CD1 3.81Å; L125-L129 WeakPolarHBondContact O-CB 3.46Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.31Å; L125-L129 PolarHBondContact O-N 2.83Å; L129-Y194 HydrophobicContact CB-CD1 3.98Å; L129-Y194 HydrophobicContact CB-CD2 3.7Å; L129-Y194 HydrophobicContact CB-CE1 4.09Å; L129-Y194 HydrophobicContact CB-CE2 3.79Å; L129-Y194 HydrophobicContact CB-CG 3.79Å; L129-Y194 HydrophobicContact CD1-CD2 3.82Å; L129-Y194 HydrophobicContact CD1-CE2 4.39Å; L129-Y194 HydrophobicContact CD1-CG 4.27Å; L129-Y194 HydrophobicContact CD2-CG 4.28Å; L129-Y194 HydrophobicContact CG-CD2 4.26Å; L129-Y194 HydrophobicContact CG-CG 4.34Å; L129-Y194 WeakPolarHBondContact O-CD1 3.32Å; L129-Y194 WeakPolarHBondContact O-CE1 3.24Å
130S91.9Very high92.6Very high24 Ų2458.6 Ų58.617%0.16831%0.313CS..Hα-helixtrans-84.4-18-176.571.70000114.5F126 R132 Y194F126-S130 WeakPolarHBondContact O-CB 3.18Å; F126-S130 PolarHBondContact O-N 3.09Å; F126-S130 PolarHBondContact O-OG 3.37Å; S130-R132 PolarHBondContact O-N 2.78Å; S130-R132 WeakPolarHBondContact OG-CB 3.35Å; S130-R132 PolarHBondContact OG-N 2.9Å; S130-R132 VanDerWaalsContact OG-N 3.1Å; S130-Y194 WeakPolarHBondContact CA-OH 3.42Å; S130-Y194 WeakPolarHBondContact CB-OH 3.37Å
131G91.1Very high92.1Very high72 Ų7265.1 Ų65.174%0.74234%0.343SS*.  trans66.46.8-168.300000114.4E127E127-G131 WeakPolarHBondContact O-CA 3.42Å; E127-G131 PolarHBondContact O-N 3.05Å; E127-G131 VanDerWaalsContact O-N 3.1Å
132R92.6Very high92Very high166 Ų16668 Ų6863%0.62636%0.364SS*.PPolyproline II helixtrans-103.8133.6-178.6-57.1179.3-177.6-1700.9110.1E127 S130E127-R132 WeakPolarHBondContact CA-O 3.27Å; E127-R132 WeakPolarHBondContact CG-O 3.45Å; S130-R132 PolarHBondContact O-N 2.78Å; S130-R132 WeakPolarHBondContact OG-CB 3.35Å; S130-R132 PolarHBondContact OG-N 2.9Å; S130-R132 VanDerWaalsContact OG-N 3.1Å
133K93.5Very high91.8Very high152 Ų15273.2 Ų73.266%0.66139%0.388SS*.PPolyproline II helixtrans-83.1138.7169.9-69.1-53.4-168.2-170.80111.4E127E127-K133 HydrophobicContact CB-CD 4.24Å; E127-K133 VanDerWaalsContact CD-CD 3.44Å; E127-K133 HydrophobicContact CG-CD 4.11Å; E127-K133 WeakPolarHBondContact OE2-CD 3.41Å; E127-K133 WeakPolarHBondContact OE2-CE 3.49Å; E127-K133 IonicContact OE2-NZ 3.5Å; E127-K133 PolarHBondContact OE2-NZ 2.79Å
134L94.1Very high91.6Very high27 Ų2778.3 Ų78.314%0.14142%0.415CS..PPolyproline II helixtrans-97.4139.1177.7-66.3179.7000110.4Q123 F126 E127 V136 V153 A156Q123-L134 HydrophobicContact CG-CB 4.45Å; Q123-L134 HydrophobicContact CG-CD1 4.2Å; F126-L134 HydrophobicContact CD1-CD1 3.79Å; F126-L134 HydrophobicContact CD1-CD2 4.21Å; F126-L134 HydrophobicContact CD1-CG 4.11Å; F126-L134 HydrophobicContact CE1-CD1 4.39Å; F126-L134 HydrophobicContact CE1-CD2 4.04Å; F126-L134 HydrophobicContact CE1-CG 4.44Å; E127-L134 HydrophobicContact CG-CG 4.34Å; E127-L134 PolarHBondContact OE1-N 2.8Å; L134-V136 VanDerWaalsContact C-N 3.3Å; L134-V136 HydrophobicContact CB-CG2 4.37Å; L134-V136 PolarHBondContact O-N 3.34Å; L134-V153 HydrophobicContact CD1-CB 4.36Å; L134-V153 HydrophobicContact CD1-CG2 3.81Å; L134-A156 HydrophobicContact CD2-CB 3.72Å
135N92.2Very high91.5Very high161 Ų16176.6 Ų76.686%0.86141%0.41SS*.  trans-8373.9178.7-174.632.2000111.1
136V91.2Very high91.4Very high28 Ų2877.5 Ų77.517%0.1741%0.414CS..SBendtrans-132154176.9-63.20000110.6Q123 L134 K149 T152Q123-V136 HydrophobicContact CG-CG2 3.92Å; L134-V136 VanDerWaalsContact C-N 3.3Å; L134-V136 HydrophobicContact CB-CG2 4.37Å; L134-V136 PolarHBondContact O-N 3.34Å; V136-K149 HydrophobicContact CB-CG 4.44Å; V136-K149 HydrophobicContact CG2-CG 4.38Å; V136-T152 HydrophobicContact CG1-CG2 3.67Å
137A85.6Confident91.4Very high63 Ų6380 Ų8052%0.52143%0.425SS..  trans-62.8138.7177.600000111.4V139 T140 K149A137-V139 VanDerWaalsContact C-N 3.26Å; A137-V139 PolarHBondContact O-N 2.73Å; A137-T140 HydrophobicContact CB-CG2 4.21Å; A137-K149 WeakPolarHBondContact O-CE 3.18Å; A137-K149 PolarHBondContact O-NZ 3.45Å
138E80.2Confident91.4Very high164 Ų16485.3 Ų85.377%0.76645%0.45SS*.SBendtrans-61.4-30.5-174.1-62.6-172.6141.600114Q120Q120-E138 PolarHBondContact NE2-O 3.43Å; Q120-E138 PolarHBondContact OE1-O 2.72Å; Q120-E138 VanDerWaalsContact OE1-O 3.13Å
139V82.4Confident91.5Very high109 Ų10981.4 Ų81.466%0.66143%0.433SS*.  trans-140.2136.1179.4-178.80000109.4A137 Q141A137-V139 VanDerWaalsContact C-N 3.26Å; A137-V139 PolarHBondContact O-N 2.73Å; V139-Q141 HydrophobicContact CG1-CG 4.45Å
140T85.4Confident91.7Very high17 Ų1780 Ų8010%0.10443%0.425CS..  trans-134.7108-177.945.30000111.4A137 Q146 K149A137-T140 HydrophobicContact CB-CG2 4.21Å; T140-Q146 WeakPolarHBondContact O-CG 3.37Å; T140-K149 HydrophobicContact CG2-CB 4.48Å; T140-K149 VanDerWaalsContact OG1-CE 3.25Å; T140-K149 WeakPolarHBondContact OG1-CE 3.17Å
141Q85.4Confident92Very high183 Ų18383.2 Ų83.286%0.85544%0.438SS*.  trans-100.2-12.7-179.4-68.7-167.4-1400115V139V139-Q141 HydrophobicContact CG1-CG 4.45Å
142S94.6Very high92.3Very high71 Ų7182.1 Ų82.150%0.49742%0.417SS..SBendtrans-93.1143.1173.859.60000110.7I144 G145 Q146S142-I144 PolarHBondContact O-N 3.45Å; S142-G145 WeakPolarHBondContact O-CA 3.3Å; S142-G145 PolarHBondContact O-N 3.13Å; S142-G145 PolarHBondContact OG-N 3.44Å; S142-Q146 WeakPolarHBondContact O-CG 3.49Å; S142-Q146 PolarHBondContact O-N 3.43Å
143E93.8Very high92.6Very high113 Ų11374.3 Ų74.353%0.52839%0.387SS..Hα-helixtrans-49.3-46174.8174.5-178.4176.100111.7G145 Q146 K147E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.08Å; E143-Q146 PolarHBondContact O-N 2.99Å; E143-K147 HydrophobicContact CG-CD 4.31Å; E143-K147 HydrophobicContact CG-CG 4.46Å; E143-K147 PolarHBondContact O-N 3.42Å; E143-K147 VanDerWaalsContact OE1-CE 3.29Å; E143-K147 WeakPolarHBondContact OE1-CE 3.45Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 3.22Å
144I93.9Very high92.8Very high118 Ų11867.3 Ų67.361%0.60536%0.357SS*.Hα-helixtrans-59.6-41.6179.1-60.3172.2000110.8S142 Q148S142-I144 PolarHBondContact O-N 3.45Å; I144-Q148 WeakPolarHBondContact O-CB 3.49Å; I144-Q148 WeakPolarHBondContact O-CG 3.3Å; I144-Q148 PolarHBondContact O-N 3.17Å
145G94.9Very high92.9Very high10 Ų1070.4 Ų70.410%0.10337%0.371CS..Hα-helixtrans-68.4-39176.800000112.9S142 E143 Q148 K149S142-G145 WeakPolarHBondContact O-CA 3.3Å; S142-G145 PolarHBondContact O-N 3.13Å; S142-G145 PolarHBondContact OG-N 3.44Å; E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.08Å; G145-Q148 PolarHBondContact O-N 2.97Å; G145-K149 WeakPolarHBondContact O-CB 3.42Å; G145-K149 PolarHBondContact O-N 2.84Å
146Q96.1Very high93.2Very high19 Ų1963.6 Ų63.69%0.08934%0.337CS..Hα-helixtrans-63.7-47.7175-65.5176.1-26.800111.1D118 T140 S142 E143 Q148 K149 L150 H176D118-Q146 HydrophobicContact CB-CB 4.5Å; D118-Q146 HydrophobicContact CB-CG 3.95Å; T140-Q146 WeakPolarHBondContact O-CG 3.37Å; S142-Q146 WeakPolarHBondContact O-CG 3.49Å; S142-Q146 PolarHBondContact O-N 3.43Å; E143-Q146 PolarHBondContact O-N 2.99Å; Q146-Q148 VanDerWaalsContact C-N 3.33Å; Q146-Q148 PolarHBondContact O-N 3.5Å; Q146-K149 PolarHBondContact O-N 3.27Å; Q146-L150 WeakPolarHBondContact O-CB 3.32Å; Q146-L150 WeakPolarHBondContact O-CG 3.45Å; Q146-L150 PolarHBondContact O-N 2.89Å; Q146-H176 PolarHBondContact OE1-NE2 2.75Å
147K96.7Very high93.4Very high55 Ų5562.4 Ų62.424%0.23933%0.33CS..Hα-helixtrans-64-35.8176-69.5-167.2180-170.10112.5E143 Q151 V172 D173 H176E143-K147 HydrophobicContact CG-CD 4.31Å; E143-K147 HydrophobicContact CG-CG 4.46Å; E143-K147 PolarHBondContact O-N 3.42Å; E143-K147 VanDerWaalsContact OE1-CE 3.29Å; E143-K147 WeakPolarHBondContact OE1-CE 3.45Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 3.22Å; K147-Q151 WeakPolarHBondContact O-CB 3.43Å; K147-Q151 PolarHBondContact O-N 2.75Å; K147-V172 HydrophobicContact CB-CG1 3.71Å; K147-V172 HydrophobicContact CD-CG1 4.33Å; K147-V172 HydrophobicContact CG-CG1 3.84Å; K147-D173 IonicContact NZ-OD1 2.72Å; K147-D173 PolarHBondContact NZ-OD1 2.86Å; K147-H176 WeakPolarHBondContact CE-ND1 3.48Å; K147-H176 HydrophobicContact CG-CB 4.34Å
148Q96.3Very high93.9Very high125 Ų12560.5 Ų60.558%0.58431%0.311SS*.Hα-helixtrans-66.4-44172.4-76.9171.6-8.400112.7I144 G145 Q146 Q151 T152I144-Q148 WeakPolarHBondContact O-CB 3.49Å; I144-Q148 WeakPolarHBondContact O-CG 3.3Å; I144-Q148 PolarHBondContact O-N 3.17Å; G145-Q148 PolarHBondContact O-N 2.97Å; Q146-Q148 VanDerWaalsContact C-N 3.33Å; Q146-Q148 PolarHBondContact O-N 3.5Å; Q148-Q151 WeakPolarHBondContact O-CB 3.33Å; Q148-Q151 PolarHBondContact O-N 3.48Å; Q148-T152 PolarHBondContact O-N 3.42Å
149K96.9Very high94.5Very high3 Ų359.9 Ų59.91%0.01331%0.308CS..Hα-helixtrans-58.6-49.9173.5176.3-177.7-72.5-96.40110.8D118 V136 A137 T140 G145 Q146 Q151 T152 V153D118-K149 WeakPolarHBondContact O-CD 3.31Å; V136-K149 HydrophobicContact CB-CG 4.44Å; V136-K149 HydrophobicContact CG2-CG 4.38Å; A137-K149 WeakPolarHBondContact O-CE 3.18Å; A137-K149 PolarHBondContact O-NZ 3.45Å; T140-K149 HydrophobicContact CG2-CB 4.48Å; T140-K149 VanDerWaalsContact OG1-CE 3.25Å; T140-K149 WeakPolarHBondContact OG1-CE 3.17Å; G145-K149 WeakPolarHBondContact O-CB 3.42Å; G145-K149 PolarHBondContact O-N 2.84Å; Q146-K149 PolarHBondContact O-N 3.27Å; K149-Q151 VanDerWaalsContact C-N 3.32Å; K149-Q151 PolarHBondContact O-N 2.97Å; K149-T152 PolarHBondContact O-N 3.35Å; K149-V153 HydrophobicContact CG-CG2 4.37Å; K149-V153 VanDerWaalsContact O-CG2 3.27Å; K149-V153 WeakPolarHBondContact O-CG2 3.49Å; K149-V153 PolarHBondContact O-N 3.43Å
150L97.8Very high94.9Very high0 Ų056.2 Ų56.20%029%0.285CS..Hα-helixtrans-58-41.1175.5-78.8174.8000112.5Y117 G119 L122 Q146 V153 L154 V172 I175 H176Y117-L150 WeakPolarHBondContact O-CD1 3.28Å; G119-L150 VanDerWaalsContact CA-CD2 3.47Å; L122-L150 HydrophobicContact CD1-CD2 4.11Å; Q146-L150 WeakPolarHBondContact O-CB 3.32Å; Q146-L150 WeakPolarHBondContact O-CG 3.45Å; Q146-L150 PolarHBondContact O-N 2.89Å; L150-V153 PolarHBondContact O-N 3.06Å; L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.2Å; L150-V172 HydrophobicContact CB-CB 4.4Å; L150-V172 HydrophobicContact CB-CG1 3.95Å; L150-V172 HydrophobicContact CB-CG2 4.05Å; L150-V172 HydrophobicContact CD1-CG1 4.21Å; L150-I175 HydrophobicContact CD1-CB 4.31Å; L150-I175 HydrophobicContact CD1-CG2 4.17Å; L150-I175 HydrophobicContact CD2-CB 4.19Å; L150-I175 HydrophobicContact CD2-CG2 3.56Å; L150-H176 HydrophobicContact CD1-CB 3.74Å
151Q97.8Very high95.1Very high91 Ų9155.4 Ų55.443%0.42528%0.28SS..Hα-helixtrans-56.9-54177.6-175.267.227.400110.5K147 Q148 K149 V153 L154 E155 V172K147-Q151 WeakPolarHBondContact O-CB 3.43Å; K147-Q151 PolarHBondContact O-N 2.75Å; Q148-Q151 WeakPolarHBondContact O-CB 3.33Å; Q148-Q151 PolarHBondContact O-N 3.48Å; K149-Q151 VanDerWaalsContact C-N 3.32Å; K149-Q151 PolarHBondContact O-N 2.97Å; Q151-V153 PolarHBondContact O-N 3.31Å; Q151-L154 PolarHBondContact O-N 3.16Å; Q151-E155 PolarHBondContact NE2-OE1 2.81Å; Q151-E155 VanDerWaalsContact O-CB 3.3Å; Q151-E155 WeakPolarHBondContact O-CB 3.13Å; Q151-E155 WeakPolarHBondContact O-CG 3.46Å; Q151-E155 PolarHBondContact O-N 3.05Å; Q151-V172 HydrophobicContact CB-CG2 4.03Å; Q151-V172 VanDerWaalsContact OE1-CG2 3.23Å
152T97.6Very high95.2Very high50 Ų5054.2 Ų54.231%0.30727%0.268SS..Hα-helixtrans-65.5-37.5-179.4-55.80000113.2V136 Q148 K149 A156V136-T152 HydrophobicContact CG1-CG2 3.67Å; Q148-T152 PolarHBondContact O-N 3.42Å; K149-T152 PolarHBondContact O-N 3.35Å; T152-A156 PolarHBondContact O-N 2.83Å
153V97.9Very high94.6Very high1 Ų155.7 Ų55.71%0.00628%0.275CS..Hα-helixtrans-65.8-49.5175.8172.90000110.8L122 Q123 L134 K149 L150 Q151 A156 V157L122-V153 HydrophobicContact CB-CG1 4.02Å; Q123-V153 HydrophobicContact CB-CG2 3.72Å; Q123-V153 HydrophobicContact CG-CG2 4.27Å; L134-V153 HydrophobicContact CD1-CB 4.36Å; L134-V153 HydrophobicContact CD1-CG2 3.81Å; K149-V153 HydrophobicContact CG-CG2 4.37Å; K149-V153 VanDerWaalsContact O-CG2 3.27Å; K149-V153 WeakPolarHBondContact O-CG2 3.49Å; K149-V153 PolarHBondContact O-N 3.43Å; L150-V153 PolarHBondContact O-N 3.06Å; Q151-V153 PolarHBondContact O-N 3.31Å; V153-A156 PolarHBondContact O-N 2.89Å; V153-V157 VanDerWaalsContact O-CG2 3.3Å; V153-V157 WeakPolarHBondContact O-CG2 3.43Å; V153-V157 PolarHBondContact O-N 3.21Å
154L97.9Very high93.6Very high5 Ų553.7 Ų53.73%0.02627%0.266CS..Hα-helixtrans-72.2-28.7-177.8-62.9179.7000112.2L150 Q151 N158 V172 I175 L186L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.2Å; Q151-L154 PolarHBondContact O-N 3.16Å; L154-N158 WeakPolarHBondContact O-CB 3.36Å; L154-N158 PolarHBondContact O-N 2.96Å; L154-N158 PolarHBondContact O-ND2 3.34Å; L154-N158 PolarHBondContact O-OD1 3.33Å; L154-V172 HydrophobicContact CD1-CG2 4.11Å; L154-I175 HydrophobicContact CD1-CG1 4.08Å; L154-L186 HydrophobicContact CD2-CD1 4.07Å; L154-L186 HydrophobicContact CD2-CD2 3.68Å
155E97.1Very high92.8Very high92 Ų9250.6 Ų50.643%0.4326%0.263SS..Hα-helixtrans-59.8-54.2168.2-79.6169.1164.600110.9Q151 V157 N158 E159Q151-E155 PolarHBondContact NE2-OE1 2.81Å; Q151-E155 VanDerWaalsContact O-CB 3.3Å; Q151-E155 WeakPolarHBondContact O-CB 3.13Å; Q151-E155 WeakPolarHBondContact O-CG 3.46Å; Q151-E155 PolarHBondContact O-N 3.05Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.03Å; E155-N158 PolarHBondContact O-N 2.77Å; E155-N158 VanDerWaalsContact O-N 3.09Å; E155-E159 WeakPolarHBondContact O-CG 3.42Å; E155-E159 PolarHBondContact O-N 2.97Å
156A96.9Very high92.2Very high19 Ų1951.5 Ų51.516%0.15726%0.263CS..Hα-helixtrans-61.3-38.1179.600000113F126 L134 T152 V153 L160F126-A156 HydrophobicContact CE1-CB 3.73Å; F126-A156 HydrophobicContact CZ-CB 3.8Å; L134-A156 HydrophobicContact CD2-CB 3.72Å; T152-A156 PolarHBondContact O-N 2.83Å; V153-A156 PolarHBondContact O-N 2.89Å; A156-L160 PolarHBondContact O-N 3.33Å
157V96.6Very high91.6Very high2 Ų253.6 Ų53.61%0.01228%0.28CS..Hα-helixtrans-66.9-42.1172.8174.60000111.6F126 V153 E155 L160 L161 W170 L186 L190F126-V157 HydrophobicContact CD2-CG2 3.43Å; F126-V157 VanDerWaalsContact CD2-CG2 3.43Å; F126-V157 HydrophobicContact CE2-CB 4.41Å; F126-V157 HydrophobicContact CE2-CG2 3.75Å; F126-V157 HydrophobicContact CG-CG2 4.13Å; V153-V157 VanDerWaalsContact O-CG2 3.3Å; V153-V157 WeakPolarHBondContact O-CG2 3.43Å; V153-V157 PolarHBondContact O-N 3.21Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.03Å; V157-L160 WeakPolarHBondContact O-CB 3.28Å; V157-L160 PolarHBondContact O-N 3.33Å; V157-L161 HydrophobicContact CG1-CD1 3.5Å; V157-L161 HydrophobicContact CG1-CG 4.05Å; V157-L161 WeakPolarHBondContact O-CB 3.42Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 2.85Å; V157-W170 HydrophobicContact CG1-CZ2 4.36Å; V157-L186 HydrophobicContact CB-CD1 4.48Å; V157-L186 HydrophobicContact CG1-CD1 3.67Å; V157-L190 HydrophobicContact CG1-CD2 4.02Å; V157-L190 HydrophobicContact CG1-CG 4.4Å; V157-L190 HydrophobicContact CG2-CD1 4.48Å; V157-L190 HydrophobicContact CG2-CD2 4.27Å
158N95.6Very high91.3Very high24 Ų2453.2 Ų53.213%0.12828%0.28CS..Hα-helixtrans-68.2-37-179.8-72.6-21.3000112L154 E155 L160 L161 R162 I168 W170L154-N158 WeakPolarHBondContact O-CB 3.36Å; L154-N158 PolarHBondContact O-N 2.96Å; L154-N158 PolarHBondContact O-ND2 3.34Å; L154-N158 PolarHBondContact O-OD1 3.33Å; E155-N158 PolarHBondContact O-N 2.77Å; E155-N158 VanDerWaalsContact O-N 3.09Å; N158-L160 VanDerWaalsContact C-N 3.31Å; N158-L161 PolarHBondContact O-N 2.68Å; N158-R162 VanDerWaalsContact O-CB 3.22Å; N158-R162 WeakPolarHBondContact O-CB 3.43Å; N158-R162 WeakPolarHBondContact O-CD 3.43Å; N158-R162 WeakPolarHBondContact O-CG 3.41Å; N158-R162 PolarHBondContact O-N 3.37Å; N158-I168 WeakPolarHBondContact OD1-CG2 3.1Å; N158-W170 PolarHBondContact OD1-NE1 2.99Å
159E93.3Very high91.1Very high150 Ų15050.2 Ų50.270%0.70127%0.266SS*.Hα-helixtrans-62.9-36.9172.1-73.4-171.1160.100112.3E155 P163E155-E159 WeakPolarHBondContact O-CG 3.42Å; E155-E159 PolarHBondContact O-N 2.97Å; E159-P163 WeakPolarHBondContact O-CD 3.25Å; E159-P163 VanDerWaalsContact O-CG 3.31Å; E159-P163 WeakPolarHBondContact O-CG 3.17Å
160L90.9Very high91Very high32 Ų3250.8 Ų50.817%0.16827%0.268CS..Hα-helixtrans-70.4-46175.6-176.573.9000112.4F126 A156 V157 N158 H164 H193 Y194F126-L160 HydrophobicContact CE2-CD2 3.86Å; A156-L160 PolarHBondContact O-N 3.33Å; V157-L160 WeakPolarHBondContact O-CB 3.28Å; V157-L160 PolarHBondContact O-N 3.33Å; N158-L160 VanDerWaalsContact C-N 3.31Å; L160-H164 PolarHBondContact O-CE1 3.23Å; L160-H164 PolarHBondContact O-ND1 2.89Å; L160-H193 WeakPolarHBondContact CD1-NE2 3.1Å; L160-Y194 HydrophobicContact CD2-CE2 3.57Å; L160-Y194 WeakPolarHBondContact CD2-OH 3.08Å
161L89.6Confident90.9Very high0 Ų053.5 Ų53.50%029%0.287CS..Hα-helixtrans-87.8-34.5-168.2-65.4-177.2000114.1V157 N158 H164 W166 W170 A189 H193V157-L161 HydrophobicContact CG1-CD1 3.5Å; V157-L161 HydrophobicContact CG1-CG 4.05Å; V157-L161 WeakPolarHBondContact O-CB 3.42Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 2.85Å; N158-L161 PolarHBondContact O-N 2.68Å; L161-H164 CarbonylContact O-C 3.59Å; L161-H164 PolarHBondContact O-N 3.43Å; L161-W166 HydrophobicContact CB-CB 4Å; L161-W166 HydrophobicContact CB-CG 4.17Å; L161-W166 HydrophobicContact CD2-CG 4.39Å; L161-W170 HydrophobicContact CD1-CH2 3.84Å; L161-W170 HydrophobicContact CD1-CZ2 3.79Å; L161-A189 HydrophobicContact CD1-CB 3.79Å; L161-H193 HydrophobicContact CD2-CB 3.53Å
162R86.9Confident90.9Very high159 Ų15949.9 Ų49.960%0.627%0.271SS*.G310 helixtrans-59.5-41.7-178.3-73.3173.5177.7-173.20.1114.3N158 H164 G165 I168N158-R162 VanDerWaalsContact O-CB 3.22Å; N158-R162 WeakPolarHBondContact O-CB 3.43Å; N158-R162 WeakPolarHBondContact O-CD 3.43Å; N158-R162 WeakPolarHBondContact O-CG 3.41Å; N158-R162 PolarHBondContact O-N 3.37Å; R162-H164 PolarHBondContact O-N 3.45Å; R162-H164 VanDerWaalsContact O-N 3.13Å; R162-G165 PolarHBondContact O-N 2.9Å; R162-I168 HydrophobicContact CG-CD1 3.96Å; R162-I168 HydrophobicContact CG-CG1 3.94Å
163P81.6Confident90.7Very high102 Ų10252.1 Ų52.166%0.66228%0.281SS*.G310 helixtrans-60-21.9175.4-24.935.7000113.9E159E159-P163 WeakPolarHBondContact O-CD 3.25Å; E159-P163 VanDerWaalsContact O-CG 3.31Å; E159-P163 WeakPolarHBondContact O-CG 3.17Å
164H73.3Confident90.5Very high71 Ų7153.2 Ų53.233%0.32929%0.289SS..G310 helixtrans-100.720.6-177.8-56.695.2000112.9L160 L161 R162 W166 H193L160-H164 PolarHBondContact O-CE1 3.23Å; L160-H164 PolarHBondContact O-ND1 2.89Å; L161-H164 CarbonylContact O-C 3.59Å; L161-H164 PolarHBondContact O-N 3.43Å; R162-H164 PolarHBondContact O-N 3.45Å; R162-H164 VanDerWaalsContact O-N 3.13Å; H164-W166 VanDerWaalsContact C-N 3.34Å; H164-W166 PolarHBondContact O-N 2.68Å; H164-H193 AromaticContact CE1-CE1 3.7Å; H164-H193 AromaticContact ND1-CE1 3.57Å
165G76.9Confident90.5Very high52 Ų5253 Ų5354%0.53629%0.288SS..THydrogen-bonded Turntrans69.922.9170.500000115.8R162 R237R162-G165 PolarHBondContact O-N 2.9Å; G165-R237 PolarHBondContact O-NH1 3.17Å
166W83.1Confident90.4Very high29 Ų2950 Ų5011%0.1127%0.274CS..  trans-78.1136.3173.8-71.790.6000111.7L161 H164 A189 M192 F238L161-W166 HydrophobicContact CB-CB 4Å; L161-W166 HydrophobicContact CB-CG 4.17Å; L161-W166 HydrophobicContact CD2-CG 4.39Å; H164-W166 VanDerWaalsContact C-N 3.34Å; H164-W166 PolarHBondContact O-N 2.68Å; W166-A189 HydrophobicContact CD2-CB 4.01Å; W166-A189 HydrophobicContact CE3-CB 3.57Å; W166-A189 HydrophobicContact CZ3-CB 3.87Å; W166-M192 HydrophobicContact CH2-CB 3.57Å; W166-M192 HydrophobicContact CH2-CG 4.1Å; W166-M192 HydrophobicContact CZ2-CB 3.72Å; W166-F238 HydrophobicContact CZ2-CZ 4.04Å
167S83.2Confident90.2Very high64 Ų6452 Ų5245%0.44829%0.29SS..  trans-73.1142.2165-163.20000109E169S167-E169 WeakPolarHBondContact CB-OE1 3.34Å; S167-E169 PolarHBondContact OG-OE1 2.72Å
168I90.5Very high90.2Very high46 Ų4655 Ų5524%0.23630%0.303CS..  trans-102.988.5-178.4-53.1-54.4000107.8N158 R162 W170N158-I168 WeakPolarHBondContact OD1-CG2 3.1Å; R162-I168 HydrophobicContact CG-CD1 3.96Å; R162-I168 HydrophobicContact CG-CG1 3.94Å; I168-W170 HydrophobicContact CD1-CH2 3.99Å; I168-W170 HydrophobicContact CD1-CZ2 3.55Å; I168-W170 HydrophobicContact CG2-CD2 4.25Å; I168-W170 HydrophobicContact CG2-CG 4.39Å; I168-W170 HydrophobicContact CG2-CZ2 4.24Å; I168-W170 PolarHBondContact O-N 3.44Å
169E92.3Very high90.1Very high63 Ų6355.5 Ų55.529%0.29431%0.306SS..  trans-88.214.4-176.5-59-63.8134.600112.9S167 Y185 K225S167-E169 WeakPolarHBondContact CB-OE1 3.34Å; S167-E169 PolarHBondContact OG-OE1 2.72Å; E169-Y185 HydrophobicContact CB-CD1 4.25Å; E169-Y185 HydrophobicContact CB-CD2 3.5Å; E169-Y185 HydrophobicContact CB-CE2 4.05Å; E169-Y185 HydrophobicContact CB-CG 3.62Å; E169-Y185 HydrophobicContact CG-CD1 4.02Å; E169-Y185 HydrophobicContact CG-CD2 3.93Å; E169-Y185 HydrophobicContact CG-CE1 4.15Å; E169-Y185 HydrophobicContact CG-CE2 4.06Å; E169-Y185 HydrophobicContact CG-CG 3.91Å; E169-K225 IonicContact OE2-NZ 2.71Å; E169-K225 PolarHBondContact OE2-NZ 3.41Å
170W95.2Very high90.2Very high14 Ų1448.6 Ų48.65%0.05327%0.274CS..  trans-135.6157.6-173.557.180.5000112.7V157 N158 L161 I168 I175 A182 L186 A189V157-W170 HydrophobicContact CG1-CZ2 4.36Å; N158-W170 PolarHBondContact OD1-NE1 2.99Å; L161-W170 HydrophobicContact CD1-CH2 3.84Å; L161-W170 HydrophobicContact CD1-CZ2 3.79Å; I168-W170 HydrophobicContact CD1-CH2 3.99Å; I168-W170 HydrophobicContact CD1-CZ2 3.55Å; I168-W170 HydrophobicContact CG2-CD2 4.25Å; I168-W170 HydrophobicContact CG2-CG 4.39Å; I168-W170 HydrophobicContact CG2-CZ2 4.24Å; I168-W170 PolarHBondContact O-N 3.44Å; W170-I175 HydrophobicContact CB-CD1 4.1Å; W170-I175 HydrophobicContact CB-CG1 4.34Å; W170-A182 HydrophobicContact CB-CB 4.1Å; W170-L186 HydrophobicContact CD2-CB 3.93Å; W170-L186 HydrophobicContact CD2-CD1 4.03Å; W170-L186 HydrophobicContact CE3-CB 3.93Å; W170-L186 HydrophobicContact CG-CB 4.23Å; W170-L186 HydrophobicContact CG-CD1 4.36Å; W170-L186 HydrophobicContact CZ2-CD1 4.1Å; W170-L186 HydrophobicContact CZ3-CB 4.5Å; W170-A189 HydrophobicContact CH2-CB 3.8Å; W170-A189 HydrophobicContact CZ3-CB 4.11Å
171S95.8Very high90.3Very high57 Ų5747.4 Ų47.440%0.39927%0.268SS..  trans-152.6164.6179.165.20000110D173 S174 I175S171-D173 VanDerWaalsContact C-N 3.34Å; S171-D173 PolarHBondContact O-N 3.24Å; S171-S174 PolarHBondContact N-OG 2.98Å; S171-S174 PolarHBondContact O-N 3.03Å; S171-S174 PolarHBondContact O-OG 2.98Å; S171-S174 VanDerWaalsContact O-OG 3.05Å; S171-S174 WeakPolarHBondContact OG-CB 3.47Å; S171-S174 PolarHBondContact OG-N 2.93Å; S171-S174 PolarHBondContact OG-OG 2.99Å; S171-I175 WeakPolarHBondContact O-CG1 3.44Å; S171-I175 PolarHBondContact O-N 3.42Å
172V96.8Very high90.6Very high15 Ų1547.6 Ų47.69%0.09127%0.269CS..Hα-helixtrans-53.4-51.1176172.60000111.3K147 L150 Q151 L154 S174 I175 H176K147-V172 HydrophobicContact CB-CG1 3.71Å; K147-V172 HydrophobicContact CD-CG1 4.33Å; K147-V172 HydrophobicContact CG-CG1 3.84Å; L150-V172 HydrophobicContact CB-CB 4.4Å; L150-V172 HydrophobicContact CB-CG1 3.95Å; L150-V172 HydrophobicContact CB-CG2 4.05Å; L150-V172 HydrophobicContact CD1-CG1 4.21Å; Q151-V172 HydrophobicContact CB-CG2 4.03Å; Q151-V172 VanDerWaalsContact OE1-CG2 3.23Å; L154-V172 HydrophobicContact CD1-CG2 4.11Å; V172-S174 VanDerWaalsContact C-N 3.35Å; V172-S174 PolarHBondContact O-N 3.38Å; V172-I175 PolarHBondContact O-N 2.96Å; V172-H176 WeakPolarHBondContact O-CB 3.49Å; V172-H176 PolarHBondContact O-N 3.07Å
173D93.7Very high91.1Very high97 Ų9740 Ų4052%0.51924%0.241SC..Hα-helixtrans-68.8-29.3-177.9-61.9-72.9000113.7K147 S171 A177K147-D173 IonicContact NZ-OD1 2.72Å; K147-D173 PolarHBondContact NZ-OD1 2.86Å; S171-D173 VanDerWaalsContact C-N 3.34Å; S171-D173 PolarHBondContact O-N 3.24Å; D173-A177 WeakPolarHBondContact O-CB 3.49Å; D173-A177 PolarHBondContact O-N 2.68Å
174S94.1Very high91.9Very high24 Ų2435.1 Ų35.117%0.16821%0.209CC..Hα-helixtrans-76-40.317655.30000112.5S171 V172 N179S171-S174 PolarHBondContact N-OG 2.98Å; S171-S174 PolarHBondContact O-N 3.03Å; S171-S174 PolarHBondContact O-OG 2.98Å; S171-S174 VanDerWaalsContact O-OG 3.05Å; S171-S174 WeakPolarHBondContact OG-CB 3.47Å; S171-S174 PolarHBondContact OG-N 2.93Å; S171-S174 PolarHBondContact OG-OG 2.99Å; V172-S174 VanDerWaalsContact C-N 3.35Å; V172-S174 PolarHBondContact O-N 3.38Å; S174-N179 WeakPolarHBondContact O-CB 3.34Å; S174-N179 PolarHBondContact O-N 2.85Å
175I96.8Very high92.9Very high0 Ų033.4 Ų33.40%020%0.2CC..Hα-helixtrans-66.1-44.8173.4-59.7-62.7000110.4Y117 L122 L150 L154 W170 S171 V172 K178 A182 I183 L186Y117-I175 WeakPolarHBondContact CA-O 3.38Å; Y117-I175 WeakPolarHBondContact CB-O 3.42Å; L122-I175 HydrophobicContact CD1-CG2 3.74Å; L150-I175 HydrophobicContact CD1-CB 4.31Å; L150-I175 HydrophobicContact CD1-CG2 4.17Å; L150-I175 HydrophobicContact CD2-CB 4.19Å; L150-I175 HydrophobicContact CD2-CG2 3.56Å; L154-I175 HydrophobicContact CD1-CG1 4.08Å; W170-I175 HydrophobicContact CB-CD1 4.1Å; W170-I175 HydrophobicContact CB-CG1 4.34Å; S171-I175 WeakPolarHBondContact O-CG1 3.44Å; S171-I175 PolarHBondContact O-N 3.42Å; V172-I175 PolarHBondContact O-N 2.96Å; I175-K178 PolarHBondContact O-N 3.1Å; I175-K178 VanDerWaalsContact O-N 3.08Å; I175-A182 HydrophobicContact CD1-CB 4.06Å; I175-I183 HydrophobicContact CD1-CB 4.24Å; I175-I183 HydrophobicContact CD1-CG1 3.55Å; I175-I183 HydrophobicContact CG2-CG1 4.34Å; I175-L186 HydrophobicContact CD1-CD2 4.04Å
176H96Very high93.9Very high30 Ų3031 Ų3114%0.13918%0.175CC..Hα-helixtrans-66.4-38.8179.9-169-102.6000112.9Y117 Q146 K147 L150 V172 K178Y117-H176 WeakPolarHBondContact O-CA 3.18Å; Y117-H176 PolarHBondContact O-CD2 2.63Å; Q146-H176 PolarHBondContact OE1-NE2 2.75Å; K147-H176 WeakPolarHBondContact CE-ND1 3.48Å; K147-H176 HydrophobicContact CG-CB 4.34Å; L150-H176 HydrophobicContact CD1-CB 3.74Å; V172-H176 WeakPolarHBondContact O-CB 3.49Å; V172-H176 PolarHBondContact O-N 3.07Å; H176-K178 PolarHBondContact O-N 3.49Å
177A93.2Very high94.6Very high61 Ų6129.7 Ų29.750%0.50417%0.17SC..THydrogen-bonded Turntrans-76.422.617100000113.7D173 N179D173-A177 WeakPolarHBondContact O-CB 3.49Å; D173-A177 PolarHBondContact O-N 2.68Å; A177-N179 VanDerWaalsContact C-N 3.27Å; A177-N179 PolarHBondContact O-N 3.27Å
178K94.9Very high95.2Very high64 Ų6426.8 Ų26.828%0.27815%0.149SC..THydrogen-bonded Turntrans55.435.4173.7-58.2-172.2163.51780114.2E113 E114 Y117 I175 H176 L180E113-K178 HydrophobicContact CB-CB 4.24Å; E113-K178 WeakPolarHBondContact O-CD 3.49Å; E113-K178 VanDerWaalsContact O-CE 3.3Å; E113-K178 WeakPolarHBondContact O-CE 3.37Å; E113-K178 VanDerWaalsContact O-CG 3.3Å; E113-K178 WeakPolarHBondContact O-CG 3.35Å; E114-K178 IonicContact OE1-NZ 3.49Å; E114-K178 PolarHBondContact OE1-NZ 3.48Å; E114-K178 IonicContact OE2-NZ 3.68Å; E114-K178 PolarHBondContact OE2-NZ 3.03Å; Y117-K178 HydrophobicContact CD2-CG 4.49Å; Y117-K178 HydrophobicContact CG-CG 4.06Å; I175-K178 PolarHBondContact O-N 3.1Å; I175-K178 VanDerWaalsContact O-N 3.08Å; H176-K178 PolarHBondContact O-N 3.49Å; K178-L180 PolarHBondContact O-N 2.91Å
179N93.6Very high95.3Very high36 Ų3624.7 Ų24.719%0.19314%0.139CC..  trans-73.493.1178.9-165.6-60.5000110.7N75 S174 A177 V181 A182 I183N75-N179 PolarHBondContact O-ND2 3.3Å; S174-N179 WeakPolarHBondContact O-CB 3.34Å; S174-N179 PolarHBondContact O-N 2.85Å; A177-N179 VanDerWaalsContact C-N 3.27Å; A177-N179 PolarHBondContact O-N 3.27Å; N179-V181 PolarHBondContact O-N 3.19Å; N179-V181 VanDerWaalsContact O-N 3.07Å; N179-V181 WeakPolarHBondContact OD1-CB 3.32Å; N179-V181 PolarHBondContact OD1-N 3.38Å; N179-A182 HydrophobicContact CB-CB 4.03Å; N179-A182 WeakPolarHBondContact O-CB 3.31Å; N179-A182 PolarHBondContact O-N 3.21Å; N179-A182 PolarHBondContact OD1-N 2.67Å; N179-A182 VanDerWaalsContact OD1-N 3.09Å; N179-I183 WeakPolarHBondContact O-CG1 3.43Å; N179-I183 PolarHBondContact O-N 3.18Å
180L95.1Very high95.4Very high5 Ų521.8 Ų21.83%0.02613%0.125CC..Hα-helixtrans-50.3-34.1179.7-179.359.3000113.7L77 F87 Q91 L112 E113 K178 I183 V184L77-L180 HydrophobicContact CD2-CD2 4.12Å; F87-L180 HydrophobicContact CE1-CD2 3.75Å; F87-L180 HydrophobicContact CE1-CG 4.4Å; F87-L180 HydrophobicContact CZ-CD2 3.75Å; F87-L180 HydrophobicContact CZ-CG 3.89Å; Q91-L180 HydrophobicContact CG-CD1 4.35Å; L112-L180 HydrophobicContact CB-CD1 3.93Å; L112-L180 HydrophobicContact CD1-CD1 4.23Å; E113-L180 HydrophobicContact CG-CB 3.7Å; E113-L180 HydrophobicContact CG-CD1 4.08Å; E113-L180 HydrophobicContact CG-CG 4.29Å; E113-L180 WeakPolarHBondContact OE1-CB 3.32Å; K178-L180 PolarHBondContact O-N 2.91Å; L180-I183 PolarHBondContact O-N 2.98Å; L180-V184 HydrophobicContact CD1-CG2 3.98Å; L180-V184 HydrophobicContact CG-CG2 4.44Å; L180-V184 WeakPolarHBondContact O-CB 3.38Å; L180-V184 VanDerWaalsContact O-CG2 3.27Å; L180-V184 WeakPolarHBondContact O-CG2 3.34Å; L180-V184 PolarHBondContact O-N 2.83Å
181V94.6Very high95.3Very high7 Ų721.3 Ų21.34%0.04212%0.124CC..Hα-helixtrans-69.5-44.5178.61760000110.8L77 N179 V184 Y185 V206 V208 K225 L227L77-V181 HydrophobicContact CB-CG2 3.91Å; L77-V181 HydrophobicContact CD1-CG2 4.01Å; L77-V181 HydrophobicContact CG-CG2 4.44Å; N179-V181 PolarHBondContact O-N 3.19Å; N179-V181 VanDerWaalsContact O-N 3.07Å; N179-V181 WeakPolarHBondContact OD1-CB 3.32Å; N179-V181 PolarHBondContact OD1-N 3.38Å; V181-V184 PolarHBondContact O-N 3.4Å; V181-Y185 HydrophobicContact CG1-CD2 3.86Å; V181-Y185 HydrophobicContact CG1-CE2 3.72Å; V181-Y185 WeakPolarHBondContact O-CD2 3.22Å; V181-Y185 PolarHBondContact O-N 3.14Å; V181-V206 HydrophobicContact CG2-CG2 4.14Å; V181-V208 HydrophobicContact CG1-CG2 4.32Å; V181-V208 HydrophobicContact CG2-CG2 4.23Å; V181-K225 HydrophobicContact CG1-CD 4.2Å; V181-L227 HydrophobicContact CG1-CD2 4.07Å
182A95.3Very high94.8Very high3 Ų319.1 Ų19.13%0.02511%0.108CC..Hα-helixtrans-63.5-41.2173.800000112.2W170 I175 N179 Y185 L186W170-A182 HydrophobicContact CB-CB 4.1Å; I175-A182 HydrophobicContact CD1-CB 4.06Å; N179-A182 HydrophobicContact CB-CB 4.03Å; N179-A182 WeakPolarHBondContact O-CB 3.31Å; N179-A182 PolarHBondContact O-N 3.21Å; N179-A182 PolarHBondContact OD1-N 2.67Å; N179-A182 VanDerWaalsContact OD1-N 3.09Å; A182-Y185 PolarHBondContact O-N 3.13Å; A182-L186 WeakPolarHBondContact O-CB 3.4Å; A182-L186 PolarHBondContact O-N 3.15Å
183I97.7Very high94.4Very high0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-63.5-45.5177.4-62.1164.3000110.6L112 C116 I175 N179 L180 L186 L187L112-I183 HydrophobicContact CB-CG2 3.97Å; C116-I183 HydrophobicContact CB-CG2 4Å; I175-I183 HydrophobicContact CD1-CB 4.24Å; I175-I183 HydrophobicContact CD1-CG1 3.55Å; I175-I183 HydrophobicContact CG2-CG1 4.34Å; N179-I183 WeakPolarHBondContact O-CG1 3.43Å; N179-I183 PolarHBondContact O-N 3.18Å; L180-I183 PolarHBondContact O-N 2.98Å; I183-L186 PolarHBondContact O-N 2.99Å; I183-L187 HydrophobicContact CG2-CD1 3.8Å; I183-L187 HydrophobicContact CG2-CG 4.48Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.29Å; I183-L187 PolarHBondContact O-N 3.39Å
184V97.2Very high94Very high0 Ų018.4 Ų18.40%010%0.098CC..Hα-helixtrans-66-40.1177.3169.40000111.7F87 L90 Q91 L94 L112 L180 V181 L186 L187 V188 L227F87-V184 HydrophobicContact CE2-CG1 4.42Å; F87-V184 HydrophobicContact CE2-CG2 4.2Å; L90-V184 HydrophobicContact CD2-CG1 3.79Å; L90-V184 HydrophobicContact CG-CG1 4.27Å; Q91-V184 HydrophobicContact CG-CG2 4.3Å; L94-V184 HydrophobicContact CD1-CB 4.5Å; L94-V184 HydrophobicContact CD1-CG1 4.01Å; L94-V184 HydrophobicContact CD1-CG2 4.31Å; L112-V184 HydrophobicContact CD1-CG2 3.85Å; L180-V184 HydrophobicContact CD1-CG2 3.98Å; L180-V184 HydrophobicContact CG-CG2 4.44Å; L180-V184 WeakPolarHBondContact O-CB 3.38Å; L180-V184 VanDerWaalsContact O-CG2 3.27Å; L180-V184 WeakPolarHBondContact O-CG2 3.34Å; L180-V184 PolarHBondContact O-N 2.83Å; V181-V184 PolarHBondContact O-N 3.4Å; V184-L186 PolarHBondContact O-N 2.92Å; V184-L187 PolarHBondContact O-N 2.95Å; V184-V188 HydrophobicContact CG1-CG2 4.08Å; V184-V188 WeakPolarHBondContact O-CB 3.31Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.16Å; V184-V188 PolarHBondContact O-N 3.11Å; V184-L227 HydrophobicContact CG1-CD1 4.07Å
185Y95.3Very high93.4Very high35 Ų3520.1 Ų20.114%0.13711%0.105CC..Hα-helixtrans-59.5-45.6174.3-89.7-61.5000112.8E169 V181 A182 L187 A189 K225 E226 L227E169-Y185 HydrophobicContact CB-CD1 4.25Å; E169-Y185 HydrophobicContact CB-CD2 3.5Å; E169-Y185 HydrophobicContact CB-CE2 4.05Å; E169-Y185 HydrophobicContact CB-CG 3.62Å; E169-Y185 HydrophobicContact CG-CD1 4.02Å; E169-Y185 HydrophobicContact CG-CD2 3.93Å; E169-Y185 HydrophobicContact CG-CE1 4.15Å; E169-Y185 HydrophobicContact CG-CE2 4.06Å; E169-Y185 HydrophobicContact CG-CG 3.91Å; V181-Y185 HydrophobicContact CG1-CD2 3.86Å; V181-Y185 HydrophobicContact CG1-CE2 3.72Å; V181-Y185 WeakPolarHBondContact O-CD2 3.22Å; V181-Y185 PolarHBondContact O-N 3.14Å; A182-Y185 PolarHBondContact O-N 3.13Å; Y185-L187 PolarHBondContact O-N 3.34Å; Y185-A189 WeakPolarHBondContact O-CB 3.28Å; Y185-A189 PolarHBondContact O-N 3.24Å; Y185-K225 HydrophobicContact CE2-CB 4.33Å; Y185-K225 HydrophobicContact CE2-CD 3.64Å; Y185-K225 WeakPolarHBondContact OH-CB 3.42Å; Y185-E226 VanDerWaalsContact CE1-O 3.29Å; Y185-E226 WeakPolarHBondContact CE1-O 3.43Å; Y185-E226 PolarHBondContact OH-O 3.3Å; Y185-L227 HydrophobicContact CD2-CD2 4.05Å; Y185-L227 HydrophobicContact CE1-CD2 4.12Å; Y185-L227 HydrophobicContact CE2-CD2 3.56Å
186L97.4Very high92.8Very high2 Ų220.3 Ų20.31%0.0111%0.107CC..Hα-helixtrans-58.6-47177.1172.663.6000111.3L122 L154 V157 W170 I175 A182 I183 V184 A189 L190L122-L186 HydrophobicContact CD1-CD2 3.72Å; L122-L186 HydrophobicContact CD2-CD2 3.85Å; L122-L186 HydrophobicContact CG-CD2 4.37Å; L154-L186 HydrophobicContact CD2-CD1 4.07Å; L154-L186 HydrophobicContact CD2-CD2 3.68Å; V157-L186 HydrophobicContact CB-CD1 4.48Å; V157-L186 HydrophobicContact CG1-CD1 3.67Å; W170-L186 HydrophobicContact CD2-CB 3.93Å; W170-L186 HydrophobicContact CD2-CD1 4.03Å; W170-L186 HydrophobicContact CE3-CB 3.93Å; W170-L186 HydrophobicContact CG-CB 4.23Å; W170-L186 HydrophobicContact CG-CD1 4.36Å; W170-L186 HydrophobicContact CZ2-CD1 4.1Å; W170-L186 HydrophobicContact CZ3-CB 4.5Å; I175-L186 HydrophobicContact CD1-CD2 4.04Å; A182-L186 WeakPolarHBondContact O-CB 3.4Å; A182-L186 PolarHBondContact O-N 3.15Å; I183-L186 PolarHBondContact O-N 2.99Å; V184-L186 PolarHBondContact O-N 2.92Å; L186-A189 PolarHBondContact O-N 3.48Å; L186-L190 HydrophobicContact CD1-CD1 4.13Å; L186-L190 HydrophobicContact CG-CD1 4.3Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 3.24Å
187L97.7Very high92Very high0 Ų022.6 Ų22.60%012%0.124CC..Hα-helixtrans-71.2-39.8-178.3-67.8170.3000112.9L94 W97 I98 L112 L122 L125 I183 V184 Y185 A189 L190 A191L94-L187 HydrophobicContact CD1-CB 4.04Å; L94-L187 HydrophobicContact CD2-CB 4.07Å; W97-L187 HydrophobicContact CZ3-CD2 4.47Å; I98-L187 HydrophobicContact CD1-CD1 3.84Å; I98-L187 HydrophobicContact CD1-CD2 3.73Å; I98-L187 HydrophobicContact CD1-CG 4.4Å; I98-L187 HydrophobicContact CG1-CD2 4.41Å; L112-L187 HydrophobicContact CD1-CD1 4.02Å; L112-L187 HydrophobicContact CD2-CD1 3.74Å; L112-L187 HydrophobicContact CG-CD1 4.41Å; L122-L187 HydrophobicContact CD2-CD2 3.94Å; L125-L187 HydrophobicContact CD2-CD2 3.56Å; I183-L187 HydrophobicContact CG2-CD1 3.8Å; I183-L187 HydrophobicContact CG2-CG 4.48Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.29Å; I183-L187 PolarHBondContact O-N 3.39Å; V184-L187 PolarHBondContact O-N 2.95Å; Y185-L187 PolarHBondContact O-N 3.34Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-L190 PolarHBondContact O-N 2.9Å; L187-A191 VanDerWaalsContact O-CB 3.29Å; L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 3.32Å
188V95.3Very high91.5Very high4 Ų421.1 Ų21.12%0.02411%0.107CC..Hα-helixtrans-61.5-42.8172.8168.60000110.8L90 L94 V184 M192 L200 T228 M234L90-V188 HydrophobicContact CD1-CG2 4.18Å; L94-V188 HydrophobicContact CD1-CG2 4.15Å; V184-V188 HydrophobicContact CG1-CG2 4.08Å; V184-V188 WeakPolarHBondContact O-CB 3.31Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.16Å; V184-V188 PolarHBondContact O-N 3.11Å; V188-M192 WeakPolarHBondContact O-CB 3.3Å; V188-M192 WeakPolarHBondContact O-CG 3.45Å; V188-M192 PolarHBondContact O-N 2.91Å; V188-L200 HydrophobicContact CB-CD1 4.41Å; V188-L200 HydrophobicContact CG1-CD1 3.99Å; V188-L200 HydrophobicContact CG2-CD1 4.22Å; V188-T228 HydrophobicContact CG1-CG2 4.31Å; V188-T228 HydrophobicContact CG2-CG2 4.22Å; V188-M234 HydrophobicContact CG1-SD 4.49Å
189A93.1Very high91Very high2 Ų226.1 Ų26.12%0.01713%0.125CC..Hα-helixtrans-66.4-39.717900000112.3L161 W166 W170 Y185 L186 L187 H193L161-A189 HydrophobicContact CD1-CB 3.79Å; W166-A189 HydrophobicContact CD2-CB 4.01Å; W166-A189 HydrophobicContact CE3-CB 3.57Å; W166-A189 HydrophobicContact CZ3-CB 3.87Å; W170-A189 HydrophobicContact CH2-CB 3.8Å; W170-A189 HydrophobicContact CZ3-CB 4.11Å; Y185-A189 WeakPolarHBondContact O-CB 3.28Å; Y185-A189 PolarHBondContact O-N 3.24Å; L186-A189 PolarHBondContact O-N 3.48Å; L187-A189 VanDerWaalsContact C-N 3.34Å; A189-H193 VanDerWaalsContact O-CB 3.22Å; A189-H193 WeakPolarHBondContact O-CB 3.41Å; A189-H193 PolarHBondContact O-N 3.26Å
190L94.4Very high90.8Very high1 Ų124.6 Ų24.61%0.00512%0.117CC..Hα-helixtrans-67-47.2174-74.3171.1000112.4W97 L125 F126 V157 L186 L187 M192 H193 Y194W97-L190 HydrophobicContact CH2-CB 4.16Å; L125-L190 HydrophobicContact CD2-CD1 4.45Å; F126-L190 HydrophobicContact CD2-CD2 4.27Å; V157-L190 HydrophobicContact CG1-CD2 4.02Å; V157-L190 HydrophobicContact CG1-CG 4.4Å; V157-L190 HydrophobicContact CG2-CD1 4.48Å; V157-L190 HydrophobicContact CG2-CD2 4.27Å; L186-L190 HydrophobicContact CD1-CD1 4.13Å; L186-L190 HydrophobicContact CG-CD1 4.3Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 3.24Å; L187-L190 PolarHBondContact O-N 2.9Å; L190-M192 VanDerWaalsContact C-N 3.3Å; L190-M192 PolarHBondContact O-N 3.13Å; L190-H193 PolarHBondContact O-N 3.46Å; L190-Y194 HydrophobicContact CD2-CD2 4.46Å; L190-Y194 HydrophobicContact CD2-CE2 4.2Å; L190-Y194 PolarHBondContact O-N 3.06Å
191A92.7Very high90.6Very high4 Ų425.4 Ų25.43%0.03312%0.122CC..Hα-helixtrans-58.8-42.217800000111.9W97 L187 L195 A196 I198 L200W97-A191 HydrophobicContact CD2-CB 4.43Å; W97-A191 HydrophobicContact CE3-CB 4.04Å; W97-A191 HydrophobicContact CH2-CB 3.76Å; W97-A191 HydrophobicContact CZ2-CB 4.16Å; W97-A191 HydrophobicContact CZ3-CB 3.7Å; L187-A191 VanDerWaalsContact O-CB 3.29Å; L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 3.32Å; A191-L195 PolarHBondContact O-N 3.47Å; A191-A196 HydrophobicContact CB-CB 4.12Å; A191-A196 WeakPolarHBondContact O-CB 3.48Å; A191-A196 PolarHBondContact O-N 3.15Å; A191-I198 HydrophobicContact CB-CD1 4.02Å; A191-L200 HydrophobicContact CB-CD1 4.4Å
192M87.2Confident90.3Very high12 Ų1228.2 Ų28.26%0.05914%0.135CC..Hα-helixtrans-69.5-42.1175.1-75-76.3168.100112.1W166 V188 L190 Y194 L195 L200 M234 M235 F238W166-M192 HydrophobicContact CH2-CB 3.57Å; W166-M192 HydrophobicContact CH2-CG 4.1Å; W166-M192 HydrophobicContact CZ2-CB 3.72Å; V188-M192 WeakPolarHBondContact O-CB 3.3Å; V188-M192 WeakPolarHBondContact O-CG 3.45Å; V188-M192 PolarHBondContact O-N 2.91Å; L190-M192 VanDerWaalsContact C-N 3.3Å; L190-M192 PolarHBondContact O-N 3.13Å; M192-Y194 PolarHBondContact O-N 3.11Å; M192-L195 PolarHBondContact O-N 2.91Å; M192-L200 HydrophobicContact CE-CB 4.45Å; M192-L200 HydrophobicContact CE-CD1 3.66Å; M192-L200 HydrophobicContact CE-CG 4.37Å; M192-L200 HydrophobicContact CG-CD1 4.27Å; M192-M234 HydrophobicContact CE-CB 3.9Å; M192-M234 HydrophobicContact CE-CE 3.55Å; M192-M234 HydrophobicContact CE-SD 3.92Å; M192-M234 HydrophobicContact CG-CB 4.27Å; M192-M234 HydrophobicContact SD-CB 3.7Å; M192-M235 HydrophobicContact SD-CG 4.23Å; M192-F238 WeakPolarHBondContact O-CE2 3.1Å; M192-F238 WeakPolarHBondContact O-CZ 3.49Å
193H86.4Confident90Very high33 Ų3332.6 Ų32.615%0.15316%0.155CC..Hα-helixtrans-61.8-43.2179.4-17589.5000113L160 L161 H164 A189 L190 L195 F238L160-H193 WeakPolarHBondContact CD1-NE2 3.1Å; L161-H193 HydrophobicContact CD2-CB 3.53Å; H164-H193 AromaticContact CE1-CE1 3.7Å; H164-H193 AromaticContact ND1-CE1 3.57Å; A189-H193 VanDerWaalsContact O-CB 3.22Å; A189-H193 WeakPolarHBondContact O-CB 3.41Å; A189-H193 PolarHBondContact O-N 3.26Å; L190-H193 PolarHBondContact O-N 3.46Å; H193-L195 VanDerWaalsContact C-N 3.27Å; H193-L195 PolarHBondContact O-N 3.41Å; H193-F238 HydrophobicContact CB-CE1 4.46Å; H193-F238 AromaticContact ND1-CE1 3.95Å
194Y86.3Confident89.9Confident64 Ų6432.6 Ų32.625%0.25116%0.155SC..THydrogen-bonded Turntrans-86.64.7179.4-75.2-75.2000114L129 S130 L160 L190 M192 A196L129-Y194 HydrophobicContact CB-CD1 3.98Å; L129-Y194 HydrophobicContact CB-CD2 3.7Å; L129-Y194 HydrophobicContact CB-CE1 4.09Å; L129-Y194 HydrophobicContact CB-CE2 3.79Å; L129-Y194 HydrophobicContact CB-CG 3.79Å; L129-Y194 HydrophobicContact CD1-CD2 3.82Å; L129-Y194 HydrophobicContact CD1-CE2 4.39Å; L129-Y194 HydrophobicContact CD1-CG 4.27Å; L129-Y194 HydrophobicContact CD2-CG 4.28Å; L129-Y194 HydrophobicContact CG-CD2 4.26Å; L129-Y194 HydrophobicContact CG-CG 4.34Å; L129-Y194 WeakPolarHBondContact O-CD1 3.32Å; L129-Y194 WeakPolarHBondContact O-CE1 3.24Å; S130-Y194 WeakPolarHBondContact CA-OH 3.42Å; S130-Y194 WeakPolarHBondContact CB-OH 3.37Å; L160-Y194 HydrophobicContact CD2-CE2 3.57Å; L160-Y194 WeakPolarHBondContact CD2-OH 3.08Å; L190-Y194 HydrophobicContact CD2-CD2 4.46Å; L190-Y194 HydrophobicContact CD2-CE2 4.2Å; L190-Y194 PolarHBondContact O-N 3.06Å; M192-Y194 PolarHBondContact O-N 3.11Å; Y194-A196 PolarHBondContact O-N 3.08Å
195L82.4Confident89.7Confident60 Ų6034.7 Ų34.731%0.31417%0.169SC..THydrogen-bonded Turntrans50.545.6-177.4-59.6174.2000111.8A191 M192 H193 M235 F238 R338A191-L195 PolarHBondContact O-N 3.47Å; M192-L195 PolarHBondContact O-N 2.91Å; H193-L195 VanDerWaalsContact C-N 3.27Å; H193-L195 PolarHBondContact O-N 3.41Å; L195-M235 HydrophobicContact CD2-SD 4.23Å; L195-F238 HydrophobicContact CD2-CE2 4.22Å; L195-R338 HydrophobicContact CB-CG 3.99Å; L195-R338 WeakPolarHBondContact O-CD 3.35Å
196A83.5Confident89.7Confident4 Ų433 Ų333%0.03316%0.163CC..  trans-51.3145.7-176.300000112W97 A191 Y194 I198 R338W97-A196 HydrophobicContact CD2-CB 4.43Å; W97-A196 HydrophobicContact CZ2-CB 3.9Å; A191-A196 HydrophobicContact CB-CB 4.12Å; A191-A196 WeakPolarHBondContact O-CB 3.48Å; A191-A196 PolarHBondContact O-N 3.15Å; Y194-A196 PolarHBondContact O-N 3.08Å; A196-I198 HydrophobicContact CB-CD1 4.21Å; A196-I198 HydrophobicContact CB-CG1 4.04Å; A196-I198 PolarHBondContact O-N 3.48Å; A196-R338 PolarHBondContact O-NH1 3.39Å
197P78.2Confident89.5Confident78 Ų7836.1 Ų36.151%0.50618%0.177SC..SBendtrans-77.248-175.633.8-37.5000112.4
198I83.8Confident89.1Confident29 Ų2936.3 Ų36.315%0.14918%0.178CC..  trans-132.4151-174.769.9-178.6000111.6V93 W97 A191 A196 L200 R338V93-I198 HydrophobicContact CG1-CB 4.24Å; V93-I198 HydrophobicContact CG1-CD1 4.27Å; W97-I198 HydrophobicContact CB-CD1 3.76Å; W97-I198 HydrophobicContact CB-CG2 3.97Å; W97-I198 HydrophobicContact CD2-CD1 3.91Å; W97-I198 HydrophobicContact CE3-CD1 4.3Å; W97-I198 HydrophobicContact CG-CD1 3.65Å; W97-I198 HydrophobicContact CG-CG2 4.05Å; A191-I198 HydrophobicContact CB-CD1 4.02Å; A196-I198 HydrophobicContact CB-CD1 4.21Å; A196-I198 HydrophobicContact CB-CG1 4.04Å; A196-I198 PolarHBondContact O-N 3.48Å; I198-L200 HydrophobicContact CD1-CD2 3.76Å; I198-L200 HydrophobicContact CD1-CG 4.37Å; I198-L200 HydrophobicContact CG1-CD2 4.26Å; I198-L200 HydrophobicContact CG1-CG 4.43Å; I198-R338 PolarHBondContact O-NH1 2.99Å
199R83.6Confident88.8Confident169 Ų16937.3 Ų37.364%0.63818%0.184SC*.  trans-103.694.6174-172.6175.6-177.3164.91.7109.8
200L89.5Confident88.5Confident5 Ų538.1 Ų38.13%0.02619%0.189CC..PPolyproline II helixtrans-62.8134.2172-62.3178.9000109.8L90 V93 L94 V188 A191 M192 I198 E202 T228L90-L200 HydrophobicContact CD1-CB 4.39Å; L90-L200 HydrophobicContact CD1-CD2 3.94Å; V93-L200 HydrophobicContact CG1-CD2 4.02Å; L94-L200 HydrophobicContact CD2-CD2 3.75Å; L94-L200 HydrophobicContact CG-CD2 4.24Å; V188-L200 HydrophobicContact CB-CD1 4.41Å; V188-L200 HydrophobicContact CG1-CD1 3.99Å; V188-L200 HydrophobicContact CG2-CD1 4.22Å; A191-L200 HydrophobicContact CB-CD1 4.4Å; M192-L200 HydrophobicContact CE-CB 4.45Å; M192-L200 HydrophobicContact CE-CD1 3.66Å; M192-L200 HydrophobicContact CE-CG 4.37Å; M192-L200 HydrophobicContact CG-CD1 4.27Å; I198-L200 HydrophobicContact CD1-CD2 3.76Å; I198-L200 HydrophobicContact CD1-CG 4.37Å; I198-L200 HydrophobicContact CG1-CD2 4.26Å; I198-L200 HydrophobicContact CG1-CG 4.43Å; L200-E202 PolarHBondContact O-N 2.97Å; L200-T228 HydrophobicContact CB-CG2 4.47Å
201P90.6Very high88Confident21 Ų2138.8 Ų38.814%0.13619%0.193CC..PPolyproline II helixtrans-59.6136.7174.7-26.235.8000111.8D89 L90 V204 T228D89-P201 HydrophobicContact CB-CG 4.37Å; D89-P201 WeakPolarHBondContact OD2-CG 3.42Å; L90-P201 HydrophobicContact CB-CG 4.41Å; P201-V204 HydrophobicContact CB-CG2 3.88Å; P201-V204 WeakPolarHBondContact O-CG2 3.44Å; P201-T228 VanDerWaalsContact O-CB 3.31Å; P201-T228 WeakPolarHBondContact O-CB 3.46Å; P201-T228 PolarHBondContact O-OG1 3.44Å
202E88.6Confident87.5Confident67 Ų6740.7 Ų40.731%0.31320%0.201SC..SBendtrans-89.3149.6-174.3-62.7-175.5133.700112.4K86 L200 S229 T231K86-E202 PolarHBondContact NZ-O 3.28Å; L200-E202 PolarHBondContact O-N 2.97Å; E202-S229 WeakPolarHBondContact CA-O 3.16Å; E202-S229 WeakPolarHBondContact CB-O 3.41Å; E202-T231 WeakPolarHBondContact OE1-CB 3.33Å; E202-T231 PolarHBondContact OE1-N 3.32Å; E202-T231 PolarHBondContact OE1-OG1 2.85Å
203H90Very high87.3Confident95 Ų9542.7 Ų42.744%0.4421%0.209SC..SBendtrans50.658.5-177.2-54.6-68.5000112.6K86 T228 S229 T230K86-H203 PolarHBondContact NZ-O 3.15Å; H203-T228 WeakPolarHBondContact CA-O 3.3Å; H203-T228 PolarHBondContact N-O 2.71Å; H203-S229 PolarHBondContact N-O 3.33Å; H203-S229 VanDerWaalsContact N-O 3.13Å; H203-T230 WeakPolarHBondContact NE2-CG2 3.43Å
204V94.6Very high87Confident0 Ų046.6 Ų46.60%022%0.222CC..EExtended strand (participates in β ladder)trans-99.7114.8170.9-174.30000108.3K86 F87 L90 P201 L227 T228K86-V204 HydrophobicContact CB-CG1 4.47Å; K86-V204 HydrophobicContact CB-CG2 4.2Å; K86-V204 HydrophobicContact CD-CG2 4.35Å; F87-V204 HydrophobicContact CB-CG1 4.13Å; F87-V204 HydrophobicContact CD2-CG1 4.23Å; L90-V204 HydrophobicContact CB-CG1 4.45Å; L90-V204 HydrophobicContact CB-CG2 4.41Å; L90-V204 HydrophobicContact CD2-CB 4.05Å; L90-V204 HydrophobicContact CD2-CG1 3.86Å; L90-V204 HydrophobicContact CD2-CG2 4.34Å; P201-V204 HydrophobicContact CB-CG2 3.88Å; P201-V204 WeakPolarHBondContact O-CG2 3.44Å; V204-L227 HydrophobicContact CG1-CD1 4.28Å; V204-L227 WeakPolarHBondContact O-CA 3.15Å; V204-L227 WeakPolarHBondContact O-CB 3.32Å; V204-L227 PolarHBondContact O-N 2.88Å; V204-T228 VanDerWaalsContact CB-OG1 3.28Å; V204-T228 WeakPolarHBondContact CB-OG1 3.3Å; V204-T228 WeakPolarHBondContact CG2-OG1 3.32Å; V204-T228 PolarHBondContact N-O 3.16Å; V204-T228 PolarHBondContact N-OG1 3.49Å; V204-T228 PolarHBondContact O-N 3.47Å
205S94.1Very high86.9Confident43 Ų4352.4 Ų52.430%0.30125%0.252SS..EExtended strand (participates in β ladder)trans-128.2146.5176.2-55.10000110.1K225 E226S205-K225 CarbonylContact C-O 3.6Å; S205-K225 VanDerWaalsContact CA-O 3.27Å; S205-K225 WeakPolarHBondContact CA-O 3.26Å; S205-E226 WeakPolarHBondContact OG-CA 3.44Å
206V94.3Very high86.6Confident1 Ų151 Ų511%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-128147.6-178.3-66.60000110.6L77 F87 V181 V208 T224 K225 L227L77-V206 HydrophobicContact CD1-CB 3.62Å; L77-V206 HydrophobicContact CD1-CG1 3.86Å; L77-V206 HydrophobicContact CD1-CG2 4Å; F87-V206 HydrophobicContact CB-CG1 4.17Å; F87-V206 HydrophobicContact CD1-CG1 4.03Å; F87-V206 HydrophobicContact CD2-CG1 3.74Å; F87-V206 HydrophobicContact CE1-CG1 4.36Å; F87-V206 HydrophobicContact CE2-CG1 4.1Å; F87-V206 HydrophobicContact CG-CG1 3.7Å; F87-V206 HydrophobicContact CZ-CG1 4.38Å; V181-V206 HydrophobicContact CG2-CG2 4.14Å; V206-V208 HydrophobicContact CG2-CG2 4.31Å; V206-T224 WeakPolarHBondContact O-CA 3.36Å; V206-K225 HydrophobicContact CG2-CB 4.28Å; V206-K225 PolarHBondContact N-O 3.21Å; V206-K225 PolarHBondContact O-N 2.92Å; V206-L227 HydrophobicContact CG1-CD1 3.84Å; V206-L227 HydrophobicContact CG2-CD1 3.96Å; V206-L227 HydrophobicContact CG2-CD2 4.01Å; V206-L227 HydrophobicContact CG2-CG 4.07Å
207Q92.8Very high86.4Confident66 Ų6656.3 Ų56.331%0.30828%0.279SS..EExtended strand (participates in β ladder)trans-81.2135.2166.2-67.6-69.813.900109.9D78 S81 T224D78-Q207 HydrophobicContact CB-CB 3.67Å; D78-Q207 WeakPolarHBondContact CB-O 3.32Å; D78-Q207 PolarHBondContact N-O 2.84Å; S81-Q207 WeakPolarHBondContact OG-CB 3.49Å; S81-Q207 PolarHBondContact OG-N 2.69Å; Q207-T224 PolarHBondContact NE2-OG1 3.05Å; Q207-T224 PolarHBondContact OE1-OG1 3.1Å
208V90.6Very high86.7Confident4 Ų455.9 Ų55.92%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-118.9126.3174.8-178.90000108.2N75 M76 V181 V206 H222 V223 K225N75-V208 HydrophobicContact CB-CG1 3.82Å; M76-V208 WeakPolarHBondContact O-CA 3.28Å; V181-V208 HydrophobicContact CG1-CG2 4.32Å; V181-V208 HydrophobicContact CG2-CG2 4.23Å; V206-V208 HydrophobicContact CG2-CG2 4.31Å; V208-H222 WeakPolarHBondContact O-CA 3.4Å; V208-V223 PolarHBondContact N-O 2.65Å; V208-V223 PolarHBondContact O-N 2.9Å; V208-K225 HydrophobicContact CG2-CB 4.16Å; V208-K225 HydrophobicContact CG2-CD 4.37Å; V208-K225 HydrophobicContact CG2-CG 3.94Å
209V88.2Confident86.7Confident25 Ų2559 Ų5915%0.15229%0.286CS..EExtended strand (participates in β ladder)trans-82.5115.4172.1-172.70000107.8N75 M76 D78 V211 T220N75-V209 WeakPolarHBondContact CA-O 3.5Å; M76-V209 HydrophobicContact CB-CB 4.47Å; M76-V209 PolarHBondContact N-O 3.08Å; M76-V209 PolarHBondContact O-N 3.23Å; D78-V209 HydrophobicContact CB-CG2 4.26Å; V209-V211 HydrophobicContact CG1-CG2 4.13Å; V209-T220 HydrophobicContact CG1-CG2 3.57Å
210V86Confident86.7Confident19 Ų1954.9 Ų54.912%0.11528%0.279CS..EExtended strand (participates in β ladder)trans-97.8113.5176.5-1790000107.6E73 N75 T220 S221 V223E73-V210 HydrophobicContact CG-CG1 3.72Å; N75-V210 WeakPolarHBondContact OD1-CG1 3.2Å; N75-V210 WeakPolarHBondContact OD1-CG2 3.35Å; V210-T220 CarbonylContact O-C 3.59Å; V210-T220 WeakPolarHBondContact O-CA 3.49Å; V210-S221 PolarHBondContact N-O 2.82Å; V210-S221 PolarHBondContact O-N 3.21Å; V210-V223 HydrophobicContact CG2-CB 4.14Å; V210-V223 HydrophobicContact CG2-CG2 3.65Å
211V84.6Confident86.6Confident16 Ų1657.4 Ų57.410%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-107.2120.6173.8-172.20000108.3L68 E73 R74 V209 L218 T220L68-V211 HydrophobicContact CD1-CB 4.28Å; L68-V211 HydrophobicContact CD1-CG1 3.88Å; L68-V211 WeakPolarHBondContact CD1-O 3.28Å; E73-V211 CarbonylContact C-O 3.6Å; E73-V211 WeakPolarHBondContact CA-O 3.37Å; R74-V211 PolarHBondContact N-O 3.21Å; R74-V211 PolarHBondContact O-N 3.42Å; V209-V211 HydrophobicContact CG1-CG2 4.13Å; V211-L218 HydrophobicContact CG1-CB 4.32Å; V211-L218 HydrophobicContact CG1-CD2 4.26Å; V211-T220 HydrophobicContact CG2-CG2 4.37Å
212K83.3Confident86.4Confident44 Ų4461.6 Ų61.619%0.19132%0.315CS..EExtended strand (participates in β ladder)trans-129.2129.1-178.6-166.7-178.9-165.268.70110.9N71 A72 E73 Q219N71-K212 PolarHBondContact O-NZ 2.8Å; A72-K212 WeakPolarHBondContact O-CA 3.49Å; A72-K212 WeakPolarHBondContact O-CG 3.27Å; E73-K212 HydrophobicContact CB-CG 4.2Å; E73-K212 HydrophobicContact CG-CB 4.34Å; E73-K212 HydrophobicContact CG-CG 4.4Å; E73-K212 WeakPolarHBondContact OE2-CD 3.37Å; E73-K212 IonicContact OE2-NZ 3.89Å; E73-K212 PolarHBondContact OE2-NZ 3.43Å; K212-Q219 PolarHBondContact N-O 3.04Å; K212-Q219 PolarHBondContact O-N 3.44Å
213K81.4Confident86.4Confident54 Ų5461.3 Ų61.324%0.23532%0.318CS..EExtended strand (participates in β ladder)trans-87.3129.1177.2-168.5171-179.7166.80111.3L68 N71 A72 G216 I217 L218L68-K213 HydrophobicContact CB-CB 3.98Å; L68-K213 HydrophobicContact CB-CD 4.19Å; L68-K213 WeakPolarHBondContact O-CD 3.46Å; L68-K213 PolarHBondContact O-NZ 2.92Å; N71-K213 WeakPolarHBondContact CA-O 3.44Å; N71-K213 PolarHBondContact N-O 3.33Å; A72-K213 PolarHBondContact O-N 3.15Å; A72-K213 VanDerWaalsContact O-N 3.11Å; K213-G216 WeakPolarHBondContact CE-O 3.36Å; K213-I217 CarbonylContact C-O 3.58Å; K213-I217 WeakPolarHBondContact CA-O 3.3Å; K213-L218 HydrophobicContact CB-CD2 3.94Å; K213-L218 HydrophobicContact CD-CD2 4.33Å; K213-L218 HydrophobicContact CG-CD2 4.11Å
214R81.7Confident86.5Confident115 Ų11561 Ų6143%0.43432%0.323SS..EExtended strand (participates in β ladder)trans-145.8127.5177.8-85.3174.2163.9166.2-5.5111E70 G216 I217 Q219E70-R214 VanDerWaalsContact OE1-CA 3.3Å; E70-R214 WeakPolarHBondContact OE1-CA 3.47Å; R214-G216 PolarHBondContact O-N 2.89Å; R214-I217 PolarHBondContact N-O 3.47Å; R214-I217 WeakPolarHBondContact O-CB 3.49Å; R214-I217 PolarHBondContact O-N 2.73Å; R214-Q219 VanDerWaalsContact CD-OE1 3.28Å
215E83.6Confident86.4Confident185 Ų18563.2 Ų63.286%0.86433%0.332SS*.THydrogen-bonded Turntrans5537.3-177.2-56.8-179171.100111E70 I217E70-E215 PolarHBondContact OE1-N 3.43Å; E215-I217 PolarHBondContact O-N 2.68Å
216G76.7Confident86.3Confident32 Ų3265.6 Ų65.633%0.3334%0.339SS..THydrogen-bonded Turntrans79.9-24.1-171.800000115.3E70 K213 R214E70-G216 PolarHBondContact OE2-N 2.93Å; E70-G216 VanDerWaalsContact OE2-N 3.12Å; K213-G216 WeakPolarHBondContact CE-O 3.36Å; R214-G216 PolarHBondContact O-N 2.89Å
217I79.3Confident86.2Confident114 Ų11466 Ų6659%0.58534%0.341SS*.EExtended strand (participates in β ladder)trans-82.1136.3-173.9-55.8175.8000111K213 R214 E215 Q219K213-I217 CarbonylContact C-O 3.58Å; K213-I217 WeakPolarHBondContact CA-O 3.3Å; R214-I217 PolarHBondContact N-O 3.47Å; R214-I217 WeakPolarHBondContact O-CB 3.49Å; R214-I217 PolarHBondContact O-N 2.73Å; E215-I217 PolarHBondContact O-N 2.68Å; I217-Q219 PolarHBondContact O-N 2.72Å
218L83.1Confident86Confident70 Ų7062.9 Ų62.937%0.36633%0.326SS..EExtended strand (participates in β ladder)trans-79.1112.5170.1-61.8-179.3000110.3L68 V211 K213L68-L218 HydrophobicContact CB-CD2 4.41Å; L68-L218 HydrophobicContact CD1-CD2 4.08Å; V211-L218 HydrophobicContact CG1-CB 4.32Å; V211-L218 HydrophobicContact CG1-CD2 4.26Å; K213-L218 HydrophobicContact CB-CD2 3.94Å; K213-L218 HydrophobicContact CD-CD2 4.33Å; K213-L218 HydrophobicContact CG-CD2 4.11Å
219Q83.4Confident85.7Confident93 Ų9363.3 Ų63.344%0.43533%0.33SS..EExtended strand (participates in β ladder)trans-92.5119.5170.5-61.7-175.5-7.500108.9K212 R214 I217K212-Q219 PolarHBondContact N-O 3.04Å; K212-Q219 PolarHBondContact O-N 3.44Å; R214-Q219 VanDerWaalsContact CD-OE1 3.28Å; I217-Q219 PolarHBondContact O-N 2.72Å
220T85.3Confident85.1Confident83 Ų8363.9 Ų63.951%0.50933%0.333SS..EExtended strand (participates in β ladder)trans-107.2133.8177.2-56.20000110.4V209 V210 V211V209-T220 HydrophobicContact CG1-CG2 3.57Å; V210-T220 CarbonylContact O-C 3.59Å; V210-T220 WeakPolarHBondContact O-CA 3.49Å; V211-T220 HydrophobicContact CG2-CG2 4.37Å
221S86.2Confident84.2Confident59 Ų5964 Ų6441%0.41333%0.334SS..EExtended strand (participates in β ladder)trans-137.8161.6170.367.90000111.4V210V210-S221 PolarHBondContact N-O 2.82Å; V210-S221 PolarHBondContact O-N 3.21Å
222H86.5Confident83.1Confident108 Ų10867.3 Ų67.350%0.535%0.348SS..EExtended strand (participates in β ladder)trans-109.2133.3173.3-67.1-110.1000109.2D78 V208D78-H222 IonicContact OD2-CE1 3.44Å; D78-H222 IonicContact OD2-ND1 2.72Å; D78-H222 PolarHBondContact OD2-ND1 3.21Å; V208-H222 WeakPolarHBondContact O-CA 3.4Å
223V89.9Confident82.1Confident61 Ų6171.1 Ų71.137%0.3737%0.368SS..EExtended strand (participates in β ladder)trans-128.4121-179.5178.20000109.5V208 V210 K225V208-V223 PolarHBondContact N-O 2.65Å; V208-V223 PolarHBondContact O-N 2.9Å; V210-V223 HydrophobicContact CG2-CB 4.14Å; V210-V223 HydrophobicContact CG2-CG2 3.65Å; V223-K225 PolarHBondContact O-N 3.13Å
224T92Very high81.3Confident90 Ų9068.9 Ų68.955%0.55236%0.359SS*.EExtended strand (participates in β ladder)trans-72.4122.8172-46.10000109.7V206 Q207V206-T224 WeakPolarHBondContact O-CA 3.36Å; Q207-T224 PolarHBondContact NE2-OG1 3.05Å; Q207-T224 PolarHBondContact OE1-OG1 3.1Å
225K91.5Very high80.3Confident45 Ų4565 Ų6520%0.19635%0.346CS..EExtended strand (participates in β ladder)trans-110.2118.4172.6-76.7-140.3178.5-167.80110.3E169 V181 Y185 S205 V206 V208 V223E169-K225 IonicContact OE2-NZ 2.71Å; E169-K225 PolarHBondContact OE2-NZ 3.41Å; V181-K225 HydrophobicContact CG1-CD 4.2Å; Y185-K225 HydrophobicContact CE2-CB 4.33Å; Y185-K225 HydrophobicContact CE2-CD 3.64Å; Y185-K225 WeakPolarHBondContact OH-CB 3.42Å; S205-K225 CarbonylContact C-O 3.6Å; S205-K225 VanDerWaalsContact CA-O 3.27Å; S205-K225 WeakPolarHBondContact CA-O 3.26Å; V206-K225 HydrophobicContact CG2-CB 4.28Å; V206-K225 PolarHBondContact N-O 3.21Å; V206-K225 PolarHBondContact O-N 2.92Å; V208-K225 HydrophobicContact CG2-CB 4.16Å; V208-K225 HydrophobicContact CG2-CD 4.37Å; V208-K225 HydrophobicContact CG2-CG 3.94Å; V223-K225 PolarHBondContact O-N 3.13Å
226E91.9Very high78.8Confident94 Ų9457.2 Ų57.244%0.43932%0.316SS..EExtended strand (participates in β ladder)trans-80.2117.7170.9-179.2170.4114.500109.3Y185 S205 T228 S229Y185-E226 VanDerWaalsContact CE1-O 3.29Å; Y185-E226 WeakPolarHBondContact CE1-O 3.43Å; Y185-E226 PolarHBondContact OH-O 3.3Å; S205-E226 WeakPolarHBondContact OG-CA 3.44Å; E226-T228 WeakPolarHBondContact CG-O 3.47Å; E226-S229 WeakPolarHBondContact OE1-CB 3.3Å; E226-S229 PolarHBondContact OE1-OG 3.16Å
227L91.8Very high77.7Confident8 Ų861.3 Ų61.34%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-90.7-38-179.4-51.5180000111.1F87 L90 V181 V184 Y185 V204 V206F87-L227 HydrophobicContact CD2-CD1 3.47Å; F87-L227 VanDerWaalsContact CD2-CD1 3.47Å; F87-L227 HydrophobicContact CE2-CD1 3.33Å; F87-L227 HydrophobicContact CZ-CD1 4.41Å; L90-L227 HydrophobicContact CD2-CB 4.01Å; L90-L227 HydrophobicContact CD2-CD1 4.03Å; V181-L227 HydrophobicContact CG1-CD2 4.07Å; V184-L227 HydrophobicContact CG1-CD1 4.07Å; Y185-L227 HydrophobicContact CD2-CD2 4.05Å; Y185-L227 HydrophobicContact CE1-CD2 4.12Å; Y185-L227 HydrophobicContact CE2-CD2 3.56Å; V204-L227 HydrophobicContact CG1-CD1 4.28Å; V204-L227 WeakPolarHBondContact O-CA 3.15Å; V204-L227 WeakPolarHBondContact O-CB 3.32Å; V204-L227 PolarHBondContact O-N 2.88Å; V206-L227 HydrophobicContact CG1-CD1 3.84Å; V206-L227 HydrophobicContact CG2-CD1 3.96Å; V206-L227 HydrophobicContact CG2-CD2 4.01Å; V206-L227 HydrophobicContact CG2-CG 4.07Å
228T89.8Confident76.4Confident1 Ų157.9 Ų57.91%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-137.3142.2176.363.10000111.2L90 V188 L200 P201 H203 V204 E226 M234L90-T228 HydrophobicContact CD1-CG2 3.94Å; L90-T228 HydrophobicContact CD2-CG2 4Å; V188-T228 HydrophobicContact CG1-CG2 4.31Å; V188-T228 HydrophobicContact CG2-CG2 4.22Å; L200-T228 HydrophobicContact CB-CG2 4.47Å; P201-T228 VanDerWaalsContact O-CB 3.31Å; P201-T228 WeakPolarHBondContact O-CB 3.46Å; P201-T228 PolarHBondContact O-OG1 3.44Å; H203-T228 WeakPolarHBondContact CA-O 3.3Å; H203-T228 PolarHBondContact N-O 2.71Å; V204-T228 VanDerWaalsContact CB-OG1 3.28Å; V204-T228 WeakPolarHBondContact CB-OG1 3.3Å; V204-T228 WeakPolarHBondContact CG2-OG1 3.32Å; V204-T228 PolarHBondContact N-O 3.16Å; V204-T228 PolarHBondContact N-OG1 3.49Å; V204-T228 PolarHBondContact O-N 3.47Å; E226-T228 WeakPolarHBondContact CG-O 3.47Å; T228-M234 HydrophobicContact CG2-CE 4.42Å; T228-M234 HydrophobicContact CG2-SD 4.18Å
229S83.8Confident74.8Confident13 Ų1362.1 Ų62.19%0.09132%0.32CS..  trans-105.5-143.8175.8-1420000109.6E202 H203 E226 M234E202-S229 WeakPolarHBondContact CA-O 3.16Å; E202-S229 WeakPolarHBondContact CB-O 3.41Å; H203-S229 PolarHBondContact N-O 3.33Å; H203-S229 VanDerWaalsContact N-O 3.13Å; E226-S229 WeakPolarHBondContact OE1-CB 3.3Å; E226-S229 PolarHBondContact OE1-OG 3.16Å; S229-M234 PolarHBondContact N-SD 2.88Å; S229-M234 VanDerWaalsContact N-SD 3.41Å
230T74.8Confident73.6Confident37 Ų3764.9 Ų64.923%0.22733%0.327CS..  trans-75.3154.915866.30000111.1H203 E232 M233 M234H203-T230 WeakPolarHBondContact NE2-CG2 3.43Å; T230-E232 VanDerWaalsContact C-N 3.26Å; T230-E232 PolarHBondContact O-N 3.35Å; T230-M233 PolarHBondContact O-N 2.86Å; T230-M233 WeakPolarHBondContact OG1-CB 3.46Å; T230-M233 VanDerWaalsContact OG1-CG 3.28Å; T230-M233 WeakPolarHBondContact OG1-CG 3.24Å; T230-M233 PolarHBondContact OG1-N 3.03Å; T230-M233 VanDerWaalsContact OG1-N 3.16Å; T230-M234 WeakPolarHBondContact O-CE 3.12Å; T230-M234 WeakPolarHBondContact O-CG 3.33Å; T230-M234 PolarHBondContact O-N 2.72Å
231T67.4Low72.5Confident22 Ų2262.9 Ų62.914%0.13531%0.313CS..Hα-helixtrans-57.1-41.4175.8-51.80000110.8E202 M234 M235E202-T231 WeakPolarHBondContact OE1-CB 3.33Å; E202-T231 PolarHBondContact OE1-N 3.32Å; E202-T231 PolarHBondContact OE1-OG1 2.85Å; T231-M234 PolarHBondContact O-N 3.23Å; T231-M235 HydrophobicContact CG2-CE 4.09Å; T231-M235 HydrophobicContact CG2-CG 4.44Å; T231-M235 HydrophobicContact CG2-SD 4.31Å; T231-M235 WeakPolarHBondContact O-CB 3.27Å; T231-M235 WeakPolarHBondContact O-CG 3.42Å; T231-M235 PolarHBondContact O-N 3.2Å
232E61.4Low71.4Confident85 Ų8564.1 Ų64.140%0.39733%0.327SS..Hα-helixtrans-68-35.6178.7-57.2-156149.200113.3T230 G236 N346T230-E232 VanDerWaalsContact C-N 3.26Å; T230-E232 PolarHBondContact O-N 3.35Å; E232-G236 WeakPolarHBondContact O-CA 3.34Å; E232-G236 PolarHBondContact O-N 2.89Å; E232-N346 PolarHBondContact OE1-ND2 2.97Å
233M61.8Low70.5Confident124 Ų12459.6 Ų59.661%0.61131%0.306SS*.Hα-helixtrans-73.5-28.9175.6-73.417463.600112.7T230T230-M233 PolarHBondContact O-N 2.86Å; T230-M233 WeakPolarHBondContact OG1-CB 3.46Å; T230-M233 VanDerWaalsContact OG1-CG 3.28Å; T230-M233 WeakPolarHBondContact OG1-CG 3.24Å; T230-M233 PolarHBondContact OG1-N 3.03Å; T230-M233 VanDerWaalsContact OG1-N 3.16Å
234M65.4Low69.6Low8 Ų857.1 Ų57.14%0.03929%0.291CS..Hα-helixtrans-76.9-41.5174-67.8-175.5-75.100111.9V188 M192 T228 S229 T230 T231 G236V188-M234 HydrophobicContact CG1-SD 4.49Å; M192-M234 HydrophobicContact CE-CB 3.9Å; M192-M234 HydrophobicContact CE-CE 3.55Å; M192-M234 HydrophobicContact CE-SD 3.92Å; M192-M234 HydrophobicContact CG-CB 4.27Å; M192-M234 HydrophobicContact SD-CB 3.7Å; T228-M234 HydrophobicContact CG2-CE 4.42Å; T228-M234 HydrophobicContact CG2-SD 4.18Å; S229-M234 PolarHBondContact N-SD 2.88Å; S229-M234 VanDerWaalsContact N-SD 3.41Å; T230-M234 WeakPolarHBondContact O-CE 3.12Å; T230-M234 WeakPolarHBondContact O-CG 3.33Å; T230-M234 PolarHBondContact O-N 2.72Å; T231-M234 PolarHBondContact O-N 3.23Å; M234-G236 VanDerWaalsContact C-N 3.33Å
235M60Low68.7Low32 Ų3256.4 Ų56.416%0.15829%0.286CS..Hα-helixtrans-71.3-25.3173.1-65.7-166.4-52.800113.2M192 L195 T231 R237 F238M192-M235 HydrophobicContact SD-CG 4.23Å; L195-M235 HydrophobicContact CD2-SD 4.23Å; T231-M235 HydrophobicContact CG2-CE 4.09Å; T231-M235 HydrophobicContact CG2-CG 4.44Å; T231-M235 HydrophobicContact CG2-SD 4.31Å; T231-M235 WeakPolarHBondContact O-CB 3.27Å; T231-M235 WeakPolarHBondContact O-CG 3.42Å; T231-M235 PolarHBondContact O-N 3.2Å; M235-R237 PolarHBondContact O-N 3.41Å; M235-F238 HydrophobicContact CB-CD2 4.43Å; M235-F238 WeakPolarHBondContact O-CD2 2.87Å; M235-F238 PolarHBondContact O-N 3.42Å; M235-F238 VanDerWaalsContact O-N 3.08Å
236G52.3Low67.7Low23 Ų2356 Ų5624%0.23729%0.286CS..THydrogen-bonded Turntrans-66.47.2176.800000115.9E232 M234E232-G236 WeakPolarHBondContact O-CA 3.34Å; E232-G236 PolarHBondContact O-N 2.89Å; M234-G236 VanDerWaalsContact C-N 3.33Å
237R53.5Low66.6Low118 Ų11853.7 Ų53.745%0.44528%0.276SS..THydrogen-bonded Turntrans-89-22.8169.4-60.9-175.3-172-118.56113.2G165 M235G165-R237 PolarHBondContact O-NH1 3.17Å; M235-R237 PolarHBondContact O-N 3.41Å
238F51.7Low65.6Low41 Ų4157.3 Ų57.318%0.1830%0.296CS..SBendtrans-69.9157.3165.8-51.3-60.4000109.1W166 M192 H193 L195 M235 R240W166-F238 HydrophobicContact CZ2-CZ 4.04Å; M192-F238 WeakPolarHBondContact O-CE2 3.1Å; M192-F238 WeakPolarHBondContact O-CZ 3.49Å; H193-F238 HydrophobicContact CB-CE1 4.46Å; H193-F238 AromaticContact ND1-CE1 3.95Å; L195-F238 HydrophobicContact CD2-CE2 4.22Å; M235-F238 HydrophobicContact CB-CD2 4.43Å; M235-F238 WeakPolarHBondContact O-CD2 2.87Å; M235-F238 PolarHBondContact O-N 3.42Å; M235-F238 VanDerWaalsContact O-N 3.08Å; F238-R240 PolarHBondContact O-N 3.16Å
239E50.8Low64.8Low160 Ų16064.1 Ų64.175%0.74833%0.327SS*.  trans-43109.6-175.8-68.7-177128.200112D241E239-D241 PolarHBondContact O-N 3.15Å
240R57.1Low64.4Low150 Ų15064.3 Ų64.357%0.56633%0.329SS*.  trans-57.3111.7174.8-81.3-178.8168.5-120.5-1.7108.3F238 D244 D248F238-R240 PolarHBondContact O-N 3.16Å; R240-D244 VanDerWaalsContact CA-OD2 3.29Å; R240-D244 WeakPolarHBondContact CA-OD2 3.43Å; R240-D244 HydrophobicContact CB-CB 4.24Å; R240-D244 HydrophobicContact CG-CB 4.34Å; R240-D248 IonicContact CZ-OD2 2.75Å; R240-D248 IonicContact NH1-OD2 3.13Å; R240-D248 PolarHBondContact NH1-OD2 2.93Å; R240-D248 IonicContact NH2-OD2 2.69Å
241D62Low64.4Low42 Ų4266.2 Ų66.223%0.22534%0.342CS..  trans-83.5176.4-177.866.420.7000111.2E239 F243 D244 T245 R352E239-D241 PolarHBondContact O-N 3.15Å; D241-F243 PolarHBondContact O-N 2.91Å; D241-F243 VanDerWaalsContact O-N 3.12Å; D241-F243 VanDerWaalsContact OD1-CA 3.22Å; D241-F243 WeakPolarHBondContact OD1-CA 3.02Å; D241-F243 WeakPolarHBondContact OD1-CB 3.22Å; D241-F243 PolarHBondContact OD1-N 3.41Å; D241-D244 PolarHBondContact N-OD2 2.86Å; D241-D244 PolarHBondContact O-N 3.04Å; D241-D244 PolarHBondContact OD1-N 3.5Å; D241-T245 PolarHBondContact O-N 3.39Å; D241-T245 PolarHBondContact O-OG1 2.99Å; D241-R352 IonicContact OD1-CZ 2.72Å; D241-R352 IonicContact OD1-NE 3.47Å; D241-R352 IonicContact OD1-NH2 3.55Å; D241-R352 PolarHBondContact OD1-NH2 3.3Å; D241-R352 IonicContact OD2-CZ 2.68Å; D241-R352 IonicContact OD2-NE 2.68Å; D241-R352 PolarHBondContact OD2-NE 3.05Å; D241-R352 IonicContact OD2-NH2 3.49Å; D241-R352 PolarHBondContact OD2-NH2 2.88Å
242A63.8Low64.9Low85 Ų8571.3 Ų71.370%0.70237%0.369SS*.Hα-helixtrans-60.4-19.9174.900000112.3L246A242-L246 WeakPolarHBondContact O-CB 3.21Å; A242-L246 PolarHBondContact O-N 3.44Å; A242-L246 VanDerWaalsContact O-N 3.08Å
243F68.3Low65.8Low12 Ų1273.8 Ų73.85%0.05338%0.378CS..Hα-helixtrans-78.8-41.7178.1-130.8-82.8000111.9D241 T245 L246 L247 L254 V257 L351 R352 Y355D241-F243 PolarHBondContact O-N 2.91Å; D241-F243 VanDerWaalsContact O-N 3.12Å; D241-F243 VanDerWaalsContact OD1-CA 3.22Å; D241-F243 WeakPolarHBondContact OD1-CA 3.02Å; D241-F243 WeakPolarHBondContact OD1-CB 3.22Å; D241-F243 PolarHBondContact OD1-N 3.41Å; F243-T245 VanDerWaalsContact C-N 3.34Å; F243-T245 PolarHBondContact O-N 3.24Å; F243-L246 PolarHBondContact O-N 3.34Å; F243-L247 HydrophobicContact CD1-CD1 3.9Å; F243-L247 HydrophobicContact CD1-CG 4.38Å; F243-L247 HydrophobicContact CE1-CD1 4.44Å; F243-L247 WeakPolarHBondContact O-CB 3.4Å; F243-L247 WeakPolarHBondContact O-CD1 3.18Å; F243-L247 WeakPolarHBondContact O-CG 3.22Å; F243-L247 PolarHBondContact O-N 2.88Å; F243-L254 HydrophobicContact CE1-CD1 3.99Å; F243-L254 HydrophobicContact CZ-CD1 4.47Å; F243-V257 HydrophobicContact CE2-CG1 4.1Å; F243-V257 HydrophobicContact CZ-CG1 3.91Å; F243-L351 HydrophobicContact CE1-CB 3.58Å; F243-L351 HydrophobicContact CE1-CD1 3.82Å; F243-L351 HydrophobicContact CE1-CG 4.35Å; F243-L351 HydrophobicContact CZ-CB 3.55Å; F243-L351 HydrophobicContact CZ-CD1 4.13Å; F243-L351 HydrophobicContact CZ-CG 4.38Å; F243-R352 HydrophobicContact CB-CG 4.41Å; F243-R352 HydrophobicContact CG-CG 4.35Å; F243-Y355 HydrophobicContact CD2-CG 4.47Å; F243-Y355 HydrophobicContact CE2-CD2 4.25Å; F243-Y355 HydrophobicContact CE2-CG 4.01Å
244D70.5Confident66.8Low10 Ų1068.8 Ų68.85%0.05335%0.354CS..Hα-helixtrans-55.6-50.9169.3-66-58.3000110.6R240 D241 L246 L247 D248 K348 R352R240-D244 VanDerWaalsContact CA-OD2 3.29Å; R240-D244 WeakPolarHBondContact CA-OD2 3.43Å; R240-D244 HydrophobicContact CB-CB 4.24Å; R240-D244 HydrophobicContact CG-CB 4.34Å; D241-D244 PolarHBondContact N-OD2 2.86Å; D241-D244 PolarHBondContact O-N 3.04Å; D241-D244 PolarHBondContact OD1-N 3.5Å; D244-L246 VanDerWaalsContact C-N 3.31Å; D244-L246 PolarHBondContact O-N 3.47Å; D244-L247 PolarHBondContact O-N 3.4Å; D244-D248 WeakPolarHBondContact O-CB 3.39Å; D244-D248 PolarHBondContact O-N 3.39Å; D244-K348 WeakPolarHBondContact OD1-CE 3.49Å; D244-K348 IonicContact OD1-NZ 3.49Å; D244-K348 PolarHBondContact OD1-NZ 3.02Å; D244-R352 IonicContact OD1-CZ 2.73Å; D244-R352 IonicContact OD1-NH2 2.67Å; D244-R352 PolarHBondContact OD1-NH2 3.31Å; D244-R352 IonicContact OD2-CZ 2.68Å; D244-R352 IonicContact OD2-NH2 2.69Å; D244-R352 PolarHBondContact OD2-NH2 3.31Å
245T72.6Confident67.7Low74 Ų7472.3 Ų72.345%0.45437%0.373SS..Hα-helixtrans-63.4-37.7-177.5-53.70000112.1D241 F243 H249D241-T245 PolarHBondContact O-N 3.39Å; D241-T245 PolarHBondContact O-OG1 2.99Å; F243-T245 VanDerWaalsContact C-N 3.34Å; F243-T245 PolarHBondContact O-N 3.24Å; T245-H249 WeakPolarHBondContact O-CB 3.47Å; T245-H249 PolarHBondContact O-N 3.08Å; T245-H249 VanDerWaalsContact O-N 3.11Å; T245-H249 PolarHBondContact O-ND1 2.76Å
246L70.9Confident69Low36 Ų3675.6 Ų75.619%0.18839%0.394CS..Hα-helixtrans-72.4-35.7179.3-176.4153.1000112.3A242 F243 D244 A250 K253 L254 V257A242-L246 WeakPolarHBondContact O-CB 3.21Å; A242-L246 PolarHBondContact O-N 3.44Å; A242-L246 VanDerWaalsContact O-N 3.08Å; F243-L246 PolarHBondContact O-N 3.34Å; D244-L246 VanDerWaalsContact C-N 3.31Å; D244-L246 PolarHBondContact O-N 3.47Å; L246-A250 CarbonylContact O-C 3.58Å; L246-A250 WeakPolarHBondContact O-CA 3.46Å; L246-A250 PolarHBondContact O-N 2.98Å; L246-K253 HydrophobicContact CD1-CB 4.18Å; L246-K253 HydrophobicContact CG-CB 4.18Å; L246-L254 HydrophobicContact CD2-CB 3.84Å; L246-L254 HydrophobicContact CD2-CD1 3.76Å; L246-L254 HydrophobicContact CD2-CG 4.44Å; L246-V257 HydrophobicContact CD1-CG2 4.09Å
247L69.6Low70.6Confident47 Ų4775.7 Ų75.725%0.24639%0.39CS..Hα-helixtrans-66.3-51.7171.9-80.7160.6000111.6F243 D244 H249 L254 K348F243-L247 HydrophobicContact CD1-CD1 3.9Å; F243-L247 HydrophobicContact CD1-CG 4.38Å; F243-L247 HydrophobicContact CE1-CD1 4.44Å; F243-L247 WeakPolarHBondContact O-CB 3.4Å; F243-L247 WeakPolarHBondContact O-CD1 3.18Å; F243-L247 WeakPolarHBondContact O-CG 3.22Å; F243-L247 PolarHBondContact O-N 2.88Å; D244-L247 PolarHBondContact O-N 3.4Å; L247-H249 PolarHBondContact O-N 2.94Å; L247-L254 HydrophobicContact CD2-CD1 3.65Å; L247-L254 HydrophobicContact CD2-CD2 3.62Å; L247-L254 HydrophobicContact CD2-CG 4.25Å; L247-L254 HydrophobicContact CG-CD1 4.1Å; L247-K348 HydrophobicContact CD1-CB 4.09Å; L247-K348 HydrophobicContact CD1-CD 3.59Å; L247-K348 HydrophobicContact CD1-CG 3.53Å
248D70Confident72.4Confident83 Ų8372 Ų7244%0.44438%0.377SS..Hα-helixtrans-64.5-35.6-175.5-72.87.6000112.7R240 D244R240-D248 IonicContact CZ-OD2 2.75Å; R240-D248 IonicContact NH1-OD2 3.13Å; R240-D248 PolarHBondContact NH1-OD2 2.93Å; R240-D248 IonicContact NH2-OD2 2.69Å; D244-D248 WeakPolarHBondContact O-CB 3.39Å; D244-D248 PolarHBondContact O-N 3.39Å
249H73.2Confident74.3Confident145 Ų14577.4 Ų77.467%0.67140%0.401SS*.Hα-helixtrans-126.1-2.2-167.1-56.785.1000115.6T245 L247T245-H249 WeakPolarHBondContact O-CB 3.47Å; T245-H249 PolarHBondContact O-N 3.08Å; T245-H249 VanDerWaalsContact O-N 3.11Å; T245-H249 PolarHBondContact O-ND1 2.76Å; L247-H249 PolarHBondContact O-N 2.94Å
250A75.8Confident76.3Confident16 Ų1672.1 Ų72.113%0.13238%0.382CS..  trans-148.959.5-174.600000114.8L246 D252 K253 L254L246-A250 CarbonylContact O-C 3.58Å; L246-A250 WeakPolarHBondContact O-CA 3.46Å; L246-A250 PolarHBondContact O-N 2.98Å; A250-D252 PolarHBondContact O-N 2.82Å; A250-D252 VanDerWaalsContact O-N 3.16Å; A250-K253 HydrophobicContact CB-CB 4.01Å; A250-K253 HydrophobicContact CB-CD 3.8Å; A250-K253 HydrophobicContact CB-CG 3.96Å; A250-K253 WeakPolarHBondContact O-CA 3.25Å; A250-K253 WeakPolarHBondContact O-CB 3.45Å; A250-K253 PolarHBondContact O-N 3.27Å; A250-L254 PolarHBondContact O-N 2.9Å; A250-L254 VanDerWaalsContact O-N 3.15Å
251P74.4Confident78.1Confident77 Ų7765 Ų6550%0.536%0.355SS..Hα-helixtrans-57-32.3-179.223.8-34.7000113.9K253 L254 N255P251-K253 VanDerWaalsContact C-N 3.31Å; P251-K253 PolarHBondContact O-N 3.06Å; P251-L254 VanDerWaalsContact O-CB 3.3Å; P251-L254 WeakPolarHBondContact O-CB 3.5Å; P251-L254 PolarHBondContact O-N 3.38Å; P251-N255 PolarHBondContact O-N 3.18Å; P251-N255 PolarHBondContact O-ND2 3.49Å
252D78.5Confident79.7Confident129 Ų12964.6 Ų64.669%0.6935%0.354SS*.Hα-helixtrans-63.8-36.4174.5-58.8-54.7000112.3A250 N255 V256A250-D252 PolarHBondContact O-N 2.82Å; A250-D252 VanDerWaalsContact O-N 3.16Å; D252-N255 PolarHBondContact O-N 2.97Å; D252-V256 PolarHBondContact O-N 2.9Å
253K79Confident81.2Confident138 Ų13865.5 Ų65.560%0.635%0.351SS*.Hα-helixtrans-71.5-32.6174.9-61.2-175.9-171.5171.60111.3L246 A250 P251 N255 V256 V257L246-K253 HydrophobicContact CD1-CB 4.18Å; L246-K253 HydrophobicContact CG-CB 4.18Å; A250-K253 HydrophobicContact CB-CB 4.01Å; A250-K253 HydrophobicContact CB-CD 3.8Å; A250-K253 HydrophobicContact CB-CG 3.96Å; A250-K253 WeakPolarHBondContact O-CA 3.25Å; A250-K253 WeakPolarHBondContact O-CB 3.45Å; A250-K253 PolarHBondContact O-N 3.27Å; P251-K253 VanDerWaalsContact C-N 3.31Å; P251-K253 PolarHBondContact O-N 3.06Å; K253-N255 VanDerWaalsContact C-N 3.29Å; K253-N255 PolarHBondContact O-N 3.2Å; K253-V256 PolarHBondContact O-N 2.82Å; K253-V256 VanDerWaalsContact O-N 3.14Å; K253-V257 WeakPolarHBondContact O-CG2 3.35Å; K253-V257 PolarHBondContact O-N 2.88Å
254L82.8Confident82.5Confident18 Ų1865.4 Ų65.49%0.09435%0.35CS..Hα-helixtrans-58.2-43.4173.4-171.275.5000111.1F243 L246 L247 A250 P251 V256 V257 K258 L351F243-L254 HydrophobicContact CE1-CD1 3.99Å; F243-L254 HydrophobicContact CZ-CD1 4.47Å; L246-L254 HydrophobicContact CD2-CB 3.84Å; L246-L254 HydrophobicContact CD2-CD1 3.76Å; L246-L254 HydrophobicContact CD2-CG 4.44Å; L247-L254 HydrophobicContact CD2-CD1 3.65Å; L247-L254 HydrophobicContact CD2-CD2 3.62Å; L247-L254 HydrophobicContact CD2-CG 4.25Å; L247-L254 HydrophobicContact CG-CD1 4.1Å; A250-L254 PolarHBondContact O-N 2.9Å; A250-L254 VanDerWaalsContact O-N 3.15Å; P251-L254 VanDerWaalsContact O-CB 3.3Å; P251-L254 WeakPolarHBondContact O-CB 3.5Å; P251-L254 PolarHBondContact O-N 3.38Å; L254-V256 VanDerWaalsContact C-N 3.29Å; L254-V256 PolarHBondContact O-N 3.5Å; L254-V257 PolarHBondContact O-N 2.82Å; L254-K258 WeakPolarHBondContact O-CG 3.17Å; L254-K258 PolarHBondContact O-N 3.26Å; L254-L351 HydrophobicContact CD1-CD1 3.92Å
255N85Confident83.8Confident83 Ų8365 Ų6544%0.44435%0.348SS..Hα-helixtrans-65.4-30.9177.6-69.7-37.3000112.9P251 D252 K253 K259P251-N255 PolarHBondContact O-N 3.18Å; P251-N255 PolarHBondContact O-ND2 3.49Å; D252-N255 PolarHBondContact O-N 2.97Å; K253-N255 VanDerWaalsContact C-N 3.29Å; K253-N255 PolarHBondContact O-N 3.2Å; N255-K259 WeakPolarHBondContact O-CG 3.2Å; N255-K259 PolarHBondContact O-N 3Å
256V87.1Confident84.9Confident100 Ų10062.2 Ų62.261%0.60633%0.331SS*.Hα-helixtrans-70.8-43.6171.1179.10000111.2D252 K253 L254 K259 S260D252-V256 PolarHBondContact O-N 2.9Å; K253-V256 PolarHBondContact O-N 2.82Å; K253-V256 VanDerWaalsContact O-N 3.14Å; L254-V256 VanDerWaalsContact C-N 3.29Å; L254-V256 PolarHBondContact O-N 3.5Å; V256-K259 PolarHBondContact O-N 3.29Å; V256-S260 PolarHBondContact O-N 2.6Å
257V87.1Confident86.1Confident26 Ų2665 Ų6516%0.15834%0.341CS..Hα-helixtrans-61.4-47.5176.2172.80000110.9F243 L246 K253 L254 K259 S260 L261 Y355F243-V257 HydrophobicContact CE2-CG1 4.1Å; F243-V257 HydrophobicContact CZ-CG1 3.91Å; L246-V257 HydrophobicContact CD1-CG2 4.09Å; K253-V257 WeakPolarHBondContact O-CG2 3.35Å; K253-V257 PolarHBondContact O-N 2.88Å; L254-V257 PolarHBondContact O-N 2.82Å; V257-K259 PolarHBondContact O-N 3.12Å; V257-S260 WeakPolarHBondContact O-CB 3.27Å; V257-S260 PolarHBondContact O-N 2.89Å; V257-S260 VanDerWaalsContact O-N 3.15Å; V257-L261 HydrophobicContact CG1-CD1 3.9Å; V257-L261 HydrophobicContact CG1-CG 4.29Å; V257-L261 WeakPolarHBondContact O-CG 3.38Å; V257-L261 PolarHBondContact O-N 2.86Å; V257-Y355 HydrophobicContact CG1-CD2 4.4Å
258K90.6Very high87.3Confident39 Ų3962.8 Ų62.817%0.1733%0.33CS..Hα-helixtrans-53.6-50.1174.7-73.4-175.8-177-171.90111.6L254 S260 L261 V262 L279 E280 L351L254-K258 WeakPolarHBondContact O-CG 3.17Å; L254-K258 PolarHBondContact O-N 3.26Å; K258-S260 VanDerWaalsContact C-N 3.35Å; K258-S260 PolarHBondContact O-N 2.73Å; K258-L261 PolarHBondContact O-N 3.1Å; K258-V262 WeakPolarHBondContact O-CG2 3.32Å; K258-V262 PolarHBondContact O-N 3.01Å; K258-L279 HydrophobicContact CB-CD1 4.22Å; K258-L279 HydrophobicContact CG-CD1 4.36Å; K258-E280 VanDerWaalsContact CE-OE1 3.3Å; K258-E280 WeakPolarHBondContact CE-OE1 3.44Å; K258-E280 IonicContact NZ-OE1 3.7Å; K258-E280 PolarHBondContact NZ-OE1 3.36Å; K258-L351 HydrophobicContact CG-CD1 4.41Å; K258-L351 HydrophobicContact CG-CD2 4.14Å
259K91.9Very high88.5Confident155 Ų15558.9 Ų58.967%0.67431%0.308SS*.Hα-helixtrans-60.2-42.4177.5-75178.4178.2-176.30112.4N255 V256 V257 L261 V262 T263N255-K259 WeakPolarHBondContact O-CG 3.2Å; N255-K259 PolarHBondContact O-N 3Å; V256-K259 PolarHBondContact O-N 3.29Å; V257-K259 PolarHBondContact O-N 3.12Å; K259-L261 VanDerWaalsContact C-N 3.32Å; K259-L261 PolarHBondContact O-N 3.17Å; K259-V262 PolarHBondContact O-N 3.18Å; K259-T263 PolarHBondContact O-N 2.92Å; K259-T263 PolarHBondContact O-OG1 3.09Å; K259-T263 VanDerWaalsContact O-OG1 3.06Å
260S92.4Very high89.6Confident50 Ų5055.8 Ų55.835%0.3530%0.297SS..Hα-helixtrans-62.7-38.1175.8-167.50000112.5V256 V257 K258 F264V256-S260 PolarHBondContact O-N 2.6Å; V257-S260 WeakPolarHBondContact O-CB 3.27Å; V257-S260 PolarHBondContact O-N 2.89Å; V257-S260 VanDerWaalsContact O-N 3.15Å; K258-S260 VanDerWaalsContact C-N 3.35Å; K258-S260 PolarHBondContact O-N 2.73Å; S260-F264 WeakPolarHBondContact O-CB 3.48Å; S260-F264 PolarHBondContact O-N 2.91Å
261L94.4Very high90.4Very high1 Ų160 Ų601%0.00531%0.313CS..Hα-helixtrans-72.5-41.3177.4-67.6176.3000112V257 K258 K259 T263 F264 V265 L279 L351 L354 Y355 F358V257-L261 HydrophobicContact CG1-CD1 3.9Å; V257-L261 HydrophobicContact CG1-CG 4.29Å; V257-L261 WeakPolarHBondContact O-CG 3.38Å; V257-L261 PolarHBondContact O-N 2.86Å; K258-L261 PolarHBondContact O-N 3.1Å; K259-L261 VanDerWaalsContact C-N 3.32Å; K259-L261 PolarHBondContact O-N 3.17Å; L261-T263 PolarHBondContact O-N 2.67Å; L261-F264 PolarHBondContact O-N 3.3Å; L261-V265 WeakPolarHBondContact O-CG1 3.33Å; L261-V265 WeakPolarHBondContact O-CG2 3.46Å; L261-V265 PolarHBondContact O-N 3.09Å; L261-L279 HydrophobicContact CB-CD1 3.79Å; L261-L279 HydrophobicContact CD1-CD1 4.45Å; L261-L351 HydrophobicContact CD1-CD2 3.69Å; L261-L354 HydrophobicContact CD1-CB 4.19Å; L261-L354 HydrophobicContact CD2-CB 4.33Å; L261-Y355 HydrophobicContact CD2-CD2 4.47Å; L261-F358 HydrophobicContact CD2-CB 3.55Å; L261-F358 HydrophobicContact CD2-CD1 4.41Å; L261-F358 HydrophobicContact CD2-CG 3.96Å
262V95.8Very high91.3Very high32 Ų3260.1 Ų60.119%0.19431%0.308CS..Hα-helixtrans-57.2-48.9171.6169.60000110.8K258 K259 F264 V265 N266 V276 L279K258-V262 WeakPolarHBondContact O-CG2 3.32Å; K258-V262 PolarHBondContact O-N 3.01Å; K259-V262 PolarHBondContact O-N 3.18Å; V262-F264 VanDerWaalsContact C-N 3.31Å; V262-F264 PolarHBondContact O-N 3.25Å; V262-V265 PolarHBondContact O-N 2.88Å; V262-N266 WeakPolarHBondContact O-CB 3.35Å; V262-N266 PolarHBondContact O-N 2.82Å; V262-V276 WeakPolarHBondContact CG1-O 3.39Å; V262-L279 HydrophobicContact CG2-CD1 4.02Å; V262-L279 HydrophobicContact CG2-CD2 3.71Å; V262-L279 HydrophobicContact CG2-CG 3.73Å
263T95.3Very high92.1Very high104 Ų10461.4 Ų61.464%0.63832%0.315SS*.Hα-helixtrans-59.9-39.9176.3-58.40000112.3K259 L261 K267K259-T263 PolarHBondContact O-N 2.92Å; K259-T263 PolarHBondContact O-OG1 3.09Å; K259-T263 VanDerWaalsContact O-OG1 3.06Å; L261-T263 PolarHBondContact O-N 2.67Å; T263-K267 PolarHBondContact O-N 2.98Å; T263-K267 VanDerWaalsContact O-N 3.17Å
264F95.8Very high92.8Very high11 Ų1156.8 Ų56.85%0.04830%0.297CS..Hα-helixtrans-65.1-55.3176167.4-110.9000112.1S260 L261 V262 N266 K267 H268 L296 L357 F358S260-F264 WeakPolarHBondContact O-CB 3.48Å; S260-F264 PolarHBondContact O-N 2.91Å; L261-F264 PolarHBondContact O-N 3.3Å; V262-F264 VanDerWaalsContact C-N 3.31Å; V262-F264 PolarHBondContact O-N 3.25Å; F264-N266 VanDerWaalsContact C-N 3.31Å; F264-N266 PolarHBondContact O-N 2.96Å; F264-K267 VanDerWaalsContact O-CB 3.26Å; F264-K267 WeakPolarHBondContact O-CB 3.44Å; F264-K267 PolarHBondContact O-N 3.46Å; F264-K267 VanDerWaalsContact O-N 3.12Å; F264-H268 AromaticContact CE2-CD2 3.86Å; F264-H268 AromaticContact CE2-NE2 3.66Å; F264-H268 PolarHBondContact O-CD2 3.2Å; F264-L296 HydrophobicContact CE2-CD2 4.09Å; F264-L296 HydrophobicContact CZ-CD1 4.09Å; F264-L296 HydrophobicContact CZ-CD2 3.78Å; F264-L357 HydrophobicContact CE1-CB 3.93Å; F264-L357 HydrophobicContact CZ-CB 4.29Å; F264-F358 HydrophobicContact CB-CD2 3.75Å; F264-F358 HydrophobicContact CB-CE2 4.33Å; F264-F358 HydrophobicContact CD1-CB 3.94Å; F264-F358 HydrophobicContact CD1-CD2 4.23Å; F264-F358 AromaticContact CD2-CD2 3.99Å; F264-F358 HydrophobicContact CD2-CD2 3.99Å; F264-F358 HydrophobicContact CE1-CB 4.14Å; F264-F358 HydrophobicContact CG-CB 4.29Å; F264-F358 AromaticContact CG-CD2 3.72Å; F264-F358 HydrophobicContact CG-CD2 3.72Å; F264-F358 HydrophobicContact CG-CG 4.5Å
265V96.8Very high93.4Very high0 Ų061.9 Ų61.90%032%0.32CS..Hα-helixtrans-63.8-37.8-176.1-57.70000111.5L261 V262 K267 H268 L269 V276 F283 L292 L354L261-V265 WeakPolarHBondContact O-CG1 3.33Å; L261-V265 WeakPolarHBondContact O-CG2 3.46Å; L261-V265 PolarHBondContact O-N 3.09Å; V262-V265 PolarHBondContact O-N 2.88Å; V265-K267 VanDerWaalsContact C-N 3.34Å; V265-K267 PolarHBondContact O-N 3Å; V265-H268 PolarHBondContact O-N 3.22Å; V265-H268 VanDerWaalsContact O-N 3.16Å; V265-L269 HydrophobicContact CB-CD1 4.15Å; V265-L269 WeakPolarHBondContact O-CB 3.27Å; V265-L269 PolarHBondContact O-N 3.07Å; V265-V276 HydrophobicContact CG2-CB 3.83Å; V265-V276 HydrophobicContact CG2-CG1 4.26Å; V265-V276 HydrophobicContact CG2-CG2 3.73Å; V265-F283 HydrophobicContact CB-CZ 4.09Å; V265-F283 HydrophobicContact CG1-CZ 3.93Å; V265-F283 HydrophobicContact CG2-CE2 4.48Å; V265-F283 HydrophobicContact CG2-CZ 4.06Å; V265-L292 HydrophobicContact CB-CD2 4.38Å; V265-L292 HydrophobicContact CG1-CD2 3.8Å; V265-L354 HydrophobicContact CG1-CD2 4.03Å
266N96.8Very high93.9Very high17 Ų1758 Ų589%0.09130%0.299CS..Hα-helixtrans-69.5-27.3177.2-68.7-5000112.9V262 F264 H268 N270 V276V262-N266 WeakPolarHBondContact O-CB 3.35Å; V262-N266 PolarHBondContact O-N 2.82Å; F264-N266 VanDerWaalsContact C-N 3.31Å; F264-N266 PolarHBondContact O-N 2.96Å; N266-H268 PolarHBondContact O-N 2.7Å; N266-N270 WeakPolarHBondContact O-CB 3.11Å; N266-N270 PolarHBondContact O-N 3.41Å; N266-N270 VanDerWaalsContact O-N 3.08Å; N266-N270 PolarHBondContact O-ND2 2.94Å; N266-V276 PolarHBondContact ND2-O 2.91Å; N266-V276 WeakPolarHBondContact OD1-CA 3.49Å; N266-V276 WeakPolarHBondContact OD1-CB 3.22Å; N266-V276 WeakPolarHBondContact OD1-CG2 3.22Å; N266-V276 PolarHBondContact OD1-N 3.42Å
267K95.3Very high94.2Very high94 Ų9458 Ų5841%0.40930%0.3SS..Hα-helixtrans-55.6-36171.1-171.2-162.1173.4-170.20111.6T263 F264 V265 K271 S364 E365T263-K267 PolarHBondContact O-N 2.98Å; T263-K267 VanDerWaalsContact O-N 3.17Å; F264-K267 VanDerWaalsContact O-CB 3.26Å; F264-K267 WeakPolarHBondContact O-CB 3.44Å; F264-K267 PolarHBondContact O-N 3.46Å; F264-K267 VanDerWaalsContact O-N 3.12Å; V265-K267 VanDerWaalsContact C-N 3.34Å; V265-K267 PolarHBondContact O-N 3Å; K267-K271 WeakPolarHBondContact O-CE 3.02Å; K267-S364 PolarHBondContact NZ-O 2.66Å; K267-E365 VanDerWaalsContact CE-OXT 3.23Å; K267-E365 WeakPolarHBondContact CE-OXT 3.14Å; K267-E365 PolarHBondContact NZ-OXT 2.8Å
268H95.1Very high94.4Very high1 Ų161.8 Ų61.81%0.00532%0.316CS..Hα-helixtrans-94.2-53.4-179.8-61.3-84.3000111.5F264 V265 N266 N270 K271 L292 L295F264-H268 AromaticContact CE2-CD2 3.86Å; F264-H268 AromaticContact CE2-NE2 3.66Å; F264-H268 PolarHBondContact O-CD2 3.2Å; V265-H268 PolarHBondContact O-N 3.22Å; V265-H268 VanDerWaalsContact O-N 3.16Å; N266-H268 PolarHBondContact O-N 2.7Å; H268-N270 VanDerWaalsContact C-N 3.32Å; H268-N270 PolarHBondContact O-N 3.11Å; H268-K271 WeakPolarHBondContact O-CB 3.49Å; H268-K271 VanDerWaalsContact O-CG 3.24Å; H268-K271 WeakPolarHBondContact O-CG 3.49Å; H268-K271 PolarHBondContact O-N 2.96Å; H268-L292 HydrophobicContact CB-CD1 3.72Å; H268-L295 HydrophobicContact CB-CB 4.18Å; H268-L295 HydrophobicContact CB-CD1 4.33Å; H268-L295 WeakPolarHBondContact O-CD1 3.47Å
269L96Very high94.4Very high0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-65.4-28.5-174.3-70.2172.1000113.8V265 K271 L272 N273 L274 V276 F283 Y288 L291 L292 L295V265-L269 HydrophobicContact CB-CD1 4.15Å; V265-L269 WeakPolarHBondContact O-CB 3.27Å; V265-L269 PolarHBondContact O-N 3.07Å; L269-K271 PolarHBondContact O-N 3.29Å; L269-K271 VanDerWaalsContact O-N 3.15Å; L269-L272 PolarHBondContact O-N 3.05Å; L269-N273 PolarHBondContact O-N 3.08Å; L269-L274 CarbonylContact C-O 3.56Å; L269-L274 HydrophobicContact CB-CB 4.14Å; L269-L274 VanDerWaalsContact CB-O 3.28Å; L269-L274 WeakPolarHBondContact CB-O 3.45Å; L269-L274 HydrophobicContact CD2-CD1 4.44Å; L269-L274 PolarHBondContact O-N 3.46Å; L269-L274 VanDerWaalsContact O-N 3.12Å; L269-V276 HydrophobicContact CD1-CG2 3.61Å; L269-F283 HydrophobicContact CD1-CE1 4.39Å; L269-F283 HydrophobicContact CD1-CZ 4.3Å; L269-Y288 HydrophobicContact CD1-CD2 4.11Å; L269-Y288 HydrophobicContact CD1-CG 4.42Å; L269-L291 HydrophobicContact CD2-CB 4.28Å; L269-L292 HydrophobicContact CD2-CB 4.29Å; L269-L295 HydrophobicContact CD2-CD1 4.04Å
270N95.7Very high94Very high80 Ų8055.8 Ų55.843%0.42829%0.291SS..G310 helixtrans-63.1-20.8172.6-70.4-3.1000112.5N266 H268 L272 N273 L274N266-N270 WeakPolarHBondContact O-CB 3.11Å; N266-N270 PolarHBondContact O-N 3.41Å; N266-N270 VanDerWaalsContact O-N 3.08Å; N266-N270 PolarHBondContact O-ND2 2.94Å; H268-N270 VanDerWaalsContact C-N 3.32Å; H268-N270 PolarHBondContact O-N 3.11Å; N270-L272 PolarHBondContact O-N 2.89Å; N270-N273 PolarHBondContact O-N 2.92Å; N270-L274 PolarHBondContact N-O 2.99Å; N270-L274 PolarHBondContact OD1-O 3.06Å; N270-L274 VanDerWaalsContact OD1-O 3.12Å
271K93.3Very high94Very high106 Ų10655.4 Ų55.446%0.46129%0.288SS..G310 helixtrans-63.3-17.4171.8-56.2177.2-175.6-177.30112.3K267 H268 L269 L295 E365K267-K271 WeakPolarHBondContact O-CE 3.02Å; H268-K271 WeakPolarHBondContact O-CB 3.49Å; H268-K271 VanDerWaalsContact O-CG 3.24Å; H268-K271 WeakPolarHBondContact O-CG 3.49Å; H268-K271 PolarHBondContact O-N 2.96Å; L269-K271 PolarHBondContact O-N 3.29Å; L269-K271 VanDerWaalsContact O-N 3.15Å; K271-L295 HydrophobicContact CB-CD2 4.36Å; K271-E365 PolarHBondContact NZ-O 3Å; K271-E365 PolarHBondContact NZ-OXT 2.71Å
272L93.1Very high94Very high78 Ų7857.5 Ų57.541%0.40830%0.298SS..G310 helixtrans-108.57.1173.5-58.2-179.4000113.3L269 N270 L274 L291 L295L269-L272 PolarHBondContact O-N 3.05Å; N270-L272 PolarHBondContact O-N 2.89Å; L272-L274 VanDerWaalsContact C-N 3.3Å; L272-L274 HydrophobicContact CB-CD1 4.28Å; L272-L274 HydrophobicContact CB-CG 4.23Å; L272-L274 HydrophobicContact CD1-CD1 4.49Å; L272-L291 HydrophobicContact CD1-CB 4.18Å; L272-L291 HydrophobicContact CD1-CD1 4.35Å; L272-L291 HydrophobicContact CD1-CD2 4.28Å; L272-L295 HydrophobicContact CD1-CD1 3.77Å; L272-L295 HydrophobicContact CD1-CD2 4.41Å; L272-L295 HydrophobicContact CD1-CG 4.28Å; L272-L295 HydrophobicContact CD2-CD2 4.42Å; L272-L295 HydrophobicContact CG-CD1 4.03Å; L272-L295 HydrophobicContact CG-CD2 4.21Å
273N94.1Very high94.1Very high156 Ų15656 Ų5683%0.83429%0.289SS*.THydrogen-bonded Turntrans61.530.4-169.2-44.3-82.6000114.2L269 N270L269-N273 PolarHBondContact O-N 3.08Å; N270-N273 PolarHBondContact O-N 2.92Å
274L95Very high94.1Very high42 Ų4251.7 Ų51.722%0.2226%0.263CS..  trans-105.4120.2174.3-62.5176.6000109.8L269 N270 L272 Y288 L291L269-L274 CarbonylContact C-O 3.56Å; L269-L274 HydrophobicContact CB-CB 4.14Å; L269-L274 VanDerWaalsContact CB-O 3.28Å; L269-L274 WeakPolarHBondContact CB-O 3.45Å; L269-L274 HydrophobicContact CD2-CD1 4.44Å; L269-L274 PolarHBondContact O-N 3.46Å; L269-L274 VanDerWaalsContact O-N 3.12Å; N270-L274 PolarHBondContact N-O 2.99Å; N270-L274 PolarHBondContact OD1-O 3.06Å; N270-L274 VanDerWaalsContact OD1-O 3.12Å; L272-L274 VanDerWaalsContact C-N 3.3Å; L272-L274 HydrophobicContact CB-CD1 4.28Å; L272-L274 HydrophobicContact CB-CG 4.23Å; L272-L274 HydrophobicContact CD1-CD1 4.49Å; L274-Y288 HydrophobicContact CD1-CD1 4.3Å; L274-Y288 HydrophobicContact CD1-CE1 4.01Å; L274-Y288 HydrophobicContact CD2-CE1 4.12Å; L274-Y288 HydrophobicContact CG-CE1 4.46Å; L274-L291 HydrophobicContact CD1-CD1 3.57Å
275E94.8Very high94.1Very high125 Ų12553.4 Ų53.458%0.58427%0.273SS*.  trans-109.1133.5178.9-176.8169.7-15200111.4Q282E275-Q282 PolarHBondContact O-NE2 3.44Å
276V95.5Very high94.1Very high1 Ų153.4 Ų53.41%0.00627%0.273CS..  trans-102.2123.6172.8-171.30000110.1V262 V265 N266 L269 L279 Q282 F283 Y288V262-V276 WeakPolarHBondContact CG1-O 3.39Å; V265-V276 HydrophobicContact CG2-CB 3.83Å; V265-V276 HydrophobicContact CG2-CG1 4.26Å; V265-V276 HydrophobicContact CG2-CG2 3.73Å; N266-V276 PolarHBondContact ND2-O 2.91Å; N266-V276 WeakPolarHBondContact OD1-CA 3.49Å; N266-V276 WeakPolarHBondContact OD1-CB 3.22Å; N266-V276 WeakPolarHBondContact OD1-CG2 3.22Å; N266-V276 PolarHBondContact OD1-N 3.42Å; L269-V276 HydrophobicContact CD1-CG2 3.61Å; V276-L279 HydrophobicContact CG1-CD2 3.84Å; V276-Q282 HydrophobicContact CG1-CB 4.39Å; V276-F283 HydrophobicContact CG1-CE2 3.91Å; V276-F283 HydrophobicContact CG1-CZ 4.48Å; V276-F283 HydrophobicContact CG2-CE2 4.29Å; V276-F283 HydrophobicContact CG2-CZ 4.06Å; V276-Y288 HydrophobicContact CG2-CD2 3.76Å; V276-Y288 HydrophobicContact CG2-CE2 3.91Å
277T93Very high94.1Very high101 Ų10153 Ų5362%0.6227%0.271SS*.SBendtrans-108.8-30.4170.257.10000112.2Q282T277-Q282 PolarHBondContact OG1-OE1 2.88Å
278E91.3Very high94.3Very high104 Ų10450.5 Ų50.549%0.48626%0.26SS..  trans-126.2115.6-175.8-68.8-177.7-176.500111.5E280 S281 Q282E278-E280 VanDerWaalsContact C-N 3.26Å; E278-S281 VanDerWaalsContact CB-OG 3.24Å; E278-S281 WeakPolarHBondContact CB-OG 3.33Å; E278-S281 PolarHBondContact OE2-OG 3.23Å; E278-Q282 WeakPolarHBondContact O-CB 3.41Å; E278-Q282 PolarHBondContact O-N 2.91Å
279L90.9Very high94.3Very high2 Ų250.5 Ų50.51%0.0126%0.26CS..THydrogen-bonded Turntrans-77.9-19.2175.6-56.8-176.2000111.9K258 L261 V262 V276 S281 F283 T350 L351 L354K258-L279 HydrophobicContact CB-CD1 4.22Å; K258-L279 HydrophobicContact CG-CD1 4.36Å; L261-L279 HydrophobicContact CB-CD1 3.79Å; L261-L279 HydrophobicContact CD1-CD1 4.45Å; V262-L279 HydrophobicContact CG2-CD1 4.02Å; V262-L279 HydrophobicContact CG2-CD2 3.71Å; V262-L279 HydrophobicContact CG2-CG 3.73Å; V276-L279 HydrophobicContact CG1-CD2 3.84Å; L279-S281 VanDerWaalsContact C-N 3.32Å; L279-F283 HydrophobicContact CD2-CD2 4.49Å; L279-F283 HydrophobicContact CD2-CE2 3.82Å; L279-T350 WeakPolarHBondContact O-CG2 3.29Å; L279-L351 HydrophobicContact CB-CD2 4.3Å; L279-L351 HydrophobicContact CD1-CD2 3.57Å; L279-L354 HydrophobicContact CD2-CD1 3.89Å
280E84.5Confident94.4Very high66 Ų6650.5 Ų50.531%0.30826%0.26SS..THydrogen-bonded Turntrans-63.6-34.2177.8-71.565.3-159.600112.7K258 E278 L345 L347K258-E280 VanDerWaalsContact CE-OE1 3.3Å; K258-E280 WeakPolarHBondContact CE-OE1 3.44Å; K258-E280 IonicContact NZ-OE1 3.7Å; K258-E280 PolarHBondContact NZ-OE1 3.36Å; E278-E280 VanDerWaalsContact C-N 3.26Å; E280-L345 VanDerWaalsContact O-CD2 3.27Å; E280-L345 WeakPolarHBondContact O-CD2 3.48Å; E280-L347 HydrophobicContact CG-CD1 3.97Å; E280-L347 HydrophobicContact CG-CD2 4.39Å; E280-L347 WeakPolarHBondContact OE1-CD1 3.41Å
281S91.3Very high94.5Very high43 Ų4348.2 Ų48.230%0.30125%0.247SC..THydrogen-bonded Turntrans-125.9-45.9-162.957.80000113.6E278 L279 F283 A284E278-S281 VanDerWaalsContact CB-OG 3.24Å; E278-S281 WeakPolarHBondContact CB-OG 3.33Å; E278-S281 PolarHBondContact OE2-OG 3.23Å; L279-S281 VanDerWaalsContact C-N 3.32Å; S281-F283 PolarHBondContact O-N 3.08Å; S281-F283 VanDerWaalsContact O-N 3.09Å; S281-A284 WeakPolarHBondContact O-CB 3.5Å; S281-A284 PolarHBondContact O-N 3.31Å; S281-A284 VanDerWaalsContact O-N 3.14Å
282Q95.4Very high94.7Very high45 Ų4543.2 Ų43.221%0.2123%0.225CC..THydrogen-bonded Turntrans-73.4-3.4-167.1-65-178.5-93.300116E275 V276 T277 E278 Y288E275-Q282 PolarHBondContact O-NE2 3.44Å; V276-Q282 HydrophobicContact CG1-CB 4.39Å; T277-Q282 PolarHBondContact OG1-OE1 2.88Å; E278-Q282 WeakPolarHBondContact O-CB 3.41Å; E278-Q282 PolarHBondContact O-N 2.91Å; Q282-Y288 HydrophobicContact CB-CD2 4.12Å; Q282-Y288 HydrophobicContact CB-CE2 4.08Å; Q282-Y288 WeakPolarHBondContact O-CD2 3.17Å
283F96.6Very high94.8Very high1 Ų139.5 Ų39.50%0.00421%0.206CC..THydrogen-bonded Turntrans-106.5-4.4173.6-68.8-78.6000113.7V265 L269 V276 L279 S281 D285 G286 L289 T350 L354V265-F283 HydrophobicContact CB-CZ 4.09Å; V265-F283 HydrophobicContact CG1-CZ 3.93Å; V265-F283 HydrophobicContact CG2-CE2 4.48Å; V265-F283 HydrophobicContact CG2-CZ 4.06Å; L269-F283 HydrophobicContact CD1-CE1 4.39Å; L269-F283 HydrophobicContact CD1-CZ 4.3Å; V276-F283 HydrophobicContact CG1-CE2 3.91Å; V276-F283 HydrophobicContact CG1-CZ 4.48Å; V276-F283 HydrophobicContact CG2-CE2 4.29Å; V276-F283 HydrophobicContact CG2-CZ 4.06Å; L279-F283 HydrophobicContact CD2-CD2 4.49Å; L279-F283 HydrophobicContact CD2-CE2 3.82Å; S281-F283 PolarHBondContact O-N 3.08Å; S281-F283 VanDerWaalsContact O-N 3.09Å; F283-D285 PolarHBondContact O-N 2.96Å; F283-G286 PolarHBondContact O-N 2.92Å; F283-L289 HydrophobicContact CB-CD2 4.47Å; F283-L289 HydrophobicContact CB-CG 4.33Å; F283-L289 HydrophobicContact CD1-CD2 3.51Å; F283-L289 HydrophobicContact CD1-CG 3.76Å; F283-L289 HydrophobicContact CE1-CD2 4.03Å; F283-L289 HydrophobicContact CG-CD2 4.22Å; F283-L289 HydrophobicContact CG-CG 4.45Å; F283-T350 HydrophobicContact CB-CG2 3.87Å; F283-T350 HydrophobicContact CD2-CG2 4.26Å; F283-T350 HydrophobicContact CG-CG2 4.35Å; F283-L354 HydrophobicContact CD1-CD2 4.28Å; F283-L354 HydrophobicContact CD2-CD1 3.8Å; F283-L354 HydrophobicContact CD2-CD2 4.48Å; F283-L354 HydrophobicContact CE1-CD2 3.92Å; F283-L354 HydrophobicContact CE2-CD1 3.57Å; F283-L354 HydrophobicContact CE2-CD2 4.15Å; F283-L354 HydrophobicContact CE2-CG 4.48Å; F283-L354 HydrophobicContact CG-CD1 4.5Å; F283-L354 HydrophobicContact CZ-CD1 4.12Å; F283-L354 HydrophobicContact CZ-CD2 3.86Å
284A95.6Very high94.9Very high12 Ų1232.3 Ų32.310%0.09917%0.169CC..THydrogen-bonded Turntrans-74.6-4-174.200000114.6S281 V342 V343 L345S281-A284 WeakPolarHBondContact O-CB 3.5Å; S281-A284 PolarHBondContact O-N 3.31Å; S281-A284 VanDerWaalsContact O-N 3.14Å; A284-V342 WeakPolarHBondContact CB-O 3.39Å; A284-V343 WeakPolarHBondContact O-CA 3.44Å; A284-L345 HydrophobicContact CB-CD2 3.58Å
285D96.3Very high94.9Very high47 Ų4732.1 Ų32.125%0.25117%0.168SC..THydrogen-bonded Turntrans-99.2-4170.169.98.3000113.5F283 V287 P310 K316 N319F283-D285 PolarHBondContact O-N 2.96Å; D285-V287 HydrophobicContact CB-CG2 4.41Å; D285-V287 PolarHBondContact O-N 3.22Å; D285-V287 VanDerWaalsContact O-N 3.08Å; D285-V287 WeakPolarHBondContact OD1-CB 3.13Å; D285-V287 PolarHBondContact OD1-N 2.86Å; D285-P310 HydrophobicContact CB-CG 3.74Å; D285-K316 HydrophobicContact CB-CD 4.35Å; D285-K316 HydrophobicContact CB-CG 4.27Å; D285-N319 VanDerWaalsContact O-CB 3.24Å; D285-N319 WeakPolarHBondContact O-CB 3.32Å; D285-N319 PolarHBondContact O-ND2 2.8Å
286G96.8Very high94.9Very high0 Ų026.8 Ų26.80%014%0.144CC..SBendtrans69.2-13.7-175.500000115.9F283 Y288 L289 V290F283-G286 PolarHBondContact O-N 2.92Å; G286-Y288 PolarHBondContact O-N 3.19Å; G286-L289 WeakPolarHBondContact O-CB 3.29Å; G286-L289 PolarHBondContact O-N 3.02Å; G286-V290 WeakPolarHBondContact O-CG2 3.18Å; G286-V290 PolarHBondContact O-N 3.36Å
287V97.6Very high94.8Very high8 Ų830.1 Ų30.15%0.04816%0.159CC..Hα-helixtrans-60.8-46.5-174.6177.50000110.5D285 L289 V290 L291 F306 F307 L308 P310D285-V287 HydrophobicContact CB-CG2 4.41Å; D285-V287 PolarHBondContact O-N 3.22Å; D285-V287 VanDerWaalsContact O-N 3.08Å; D285-V287 WeakPolarHBondContact OD1-CB 3.13Å; D285-V287 PolarHBondContact OD1-N 2.86Å; V287-L289 VanDerWaalsContact C-N 3.3Å; V287-L289 PolarHBondContact O-N 2.94Å; V287-V290 PolarHBondContact O-N 2.95Å; V287-L291 HydrophobicContact CG1-CD1 3.94Å; V287-L291 HydrophobicContact CG1-CG 4.46Å; V287-L291 WeakPolarHBondContact O-CB 3.5Å; V287-L291 WeakPolarHBondContact O-CG 3.35Å; V287-L291 PolarHBondContact O-N 2.88Å; V287-F306 HydrophobicContact CG1-CE2 4.35Å; V287-F307 WeakPolarHBondContact CG2-O 3.47Å; V287-L308 HydrophobicContact CG1-CD1 4.01Å; V287-P310 HydrophobicContact CG2-CG 4.2Å
288Y97.6Very high94.8Very high43 Ų4332.7 Ų32.717%0.16917%0.169CC..Hα-helixtrans-69.2-25.6178.7-78.122.4000112.8L269 L274 V276 Q282 G286 L292L269-Y288 HydrophobicContact CD1-CD2 4.11Å; L269-Y288 HydrophobicContact CD1-CG 4.42Å; L274-Y288 HydrophobicContact CD1-CD1 4.3Å; L274-Y288 HydrophobicContact CD1-CE1 4.01Å; L274-Y288 HydrophobicContact CD2-CE1 4.12Å; L274-Y288 HydrophobicContact CG-CE1 4.46Å; V276-Y288 HydrophobicContact CG2-CD2 3.76Å; V276-Y288 HydrophobicContact CG2-CE2 3.91Å; Q282-Y288 HydrophobicContact CB-CD2 4.12Å; Q282-Y288 HydrophobicContact CB-CE2 4.08Å; Q282-Y288 WeakPolarHBondContact O-CD2 3.17Å; G286-Y288 PolarHBondContact O-N 3.19Å; Y288-L292 WeakPolarHBondContact O-CB 3.41Å; Y288-L292 PolarHBondContact O-N 3.41Å
289L97.1Very high94.9Very high1 Ų131.8 Ų31.81%0.00516%0.162CC..Hα-helixtrans-72.4-44.9173-68.6180000111.4F283 G286 V287 L292 M293 V320 A323 F324 V342 V353 L354F283-L289 HydrophobicContact CB-CD2 4.47Å; F283-L289 HydrophobicContact CB-CG 4.33Å; F283-L289 HydrophobicContact CD1-CD2 3.51Å; F283-L289 HydrophobicContact CD1-CG 3.76Å; F283-L289 HydrophobicContact CE1-CD2 4.03Å; F283-L289 HydrophobicContact CG-CD2 4.22Å; F283-L289 HydrophobicContact CG-CG 4.45Å; G286-L289 WeakPolarHBondContact O-CB 3.29Å; G286-L289 PolarHBondContact O-N 3.02Å; V287-L289 VanDerWaalsContact C-N 3.3Å; V287-L289 PolarHBondContact O-N 2.94Å; L289-L292 PolarHBondContact O-N 2.95Å; L289-M293 PolarHBondContact O-N 3.39Å; L289-V320 HydrophobicContact CD1-CG1 4.09Å; L289-V320 HydrophobicContact CD1-CG2 4.37Å; L289-A323 HydrophobicContact CB-CB 3.65Å; L289-F324 HydrophobicContact CD1-CE1 4.33Å; L289-V342 HydrophobicContact CD1-CG1 4.38Å; L289-V353 HydrophobicContact CD1-CG1 4.33Å; L289-V353 HydrophobicContact CD2-CG1 3.99Å; L289-L354 HydrophobicContact CD2-CD2 3.79Å
290V97.8Very high95Very high0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-62.3-47.6178.4175.20000110.9G286 V287 M293 G294 V301 F306 N319 F322 A323 L326G286-V290 WeakPolarHBondContact O-CG2 3.18Å; G286-V290 PolarHBondContact O-N 3.36Å; V287-V290 PolarHBondContact O-N 2.95Å; V290-M293 PolarHBondContact O-N 3.41Å; V290-G294 PolarHBondContact O-N 3.41Å; V290-V301 HydrophobicContact CG1-CB 4.11Å; V290-V301 HydrophobicContact CG1-CG1 3.64Å; V290-V301 HydrophobicContact CG1-CG2 3.98Å; V290-F306 HydrophobicContact CB-CD2 4.35Å; V290-F306 HydrophobicContact CB-CG 4.47Å; V290-F306 HydrophobicContact CG1-CB 4.44Å; V290-F306 HydrophobicContact CG1-CD1 3.73Å; V290-F306 HydrophobicContact CG1-CD2 4.08Å; V290-F306 HydrophobicContact CG1-CE1 3.86Å; V290-F306 HydrophobicContact CG1-CE2 4.22Å; V290-F306 HydrophobicContact CG1-CG 3.83Å; V290-F306 HydrophobicContact CG1-CZ 4.11Å; V290-F306 HydrophobicContact CG2-CB 4.46Å; V290-F306 HydrophobicContact CG2-CG 4.48Å; V290-N319 WeakPolarHBondContact CG2-O 3.44Å; V290-F322 HydrophobicContact CG1-CD1 4.26Å; V290-F322 HydrophobicContact CG1-CE1 4.1Å; V290-F322 HydrophobicContact CG2-CD1 4.04Å; V290-A323 HydrophobicContact CG2-CB 3.86Å; V290-L326 HydrophobicContact CG1-CD1 4.21Å
291L97Very high95.5Very high32 Ų3236.4 Ų36.417%0.16818%0.181CC..Hα-helixtrans-66.1-38.6178-67.2177.1000112.2L269 L272 L274 V287 G294 L295 F306L269-L291 HydrophobicContact CD2-CB 4.28Å; L272-L291 HydrophobicContact CD1-CB 4.18Å; L272-L291 HydrophobicContact CD1-CD1 4.35Å; L272-L291 HydrophobicContact CD1-CD2 4.28Å; L274-L291 HydrophobicContact CD1-CD1 3.57Å; V287-L291 HydrophobicContact CG1-CD1 3.94Å; V287-L291 HydrophobicContact CG1-CG 4.46Å; V287-L291 WeakPolarHBondContact O-CB 3.5Å; V287-L291 WeakPolarHBondContact O-CG 3.35Å; V287-L291 PolarHBondContact O-N 2.88Å; L291-G294 PolarHBondContact O-N 3Å; L291-L295 WeakPolarHBondContact O-CD1 3.38Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.42Å; L291-L295 PolarHBondContact O-N 3.43Å; L291-L295 VanDerWaalsContact O-N 3.15Å; L291-F306 HydrophobicContact CD2-CZ 4.11Å
292L96.8Very high95.5Very high0 Ų036.1 Ų36.10%018%0.179CC..Hα-helixtrans-61.5-44.2173.8179.261.2000111.3V265 H268 L269 Y288 L289 G294 L295 L296 L354 L357V265-L292 HydrophobicContact CB-CD2 4.38Å; V265-L292 HydrophobicContact CG1-CD2 3.8Å; H268-L292 HydrophobicContact CB-CD1 3.72Å; L269-L292 HydrophobicContact CD2-CB 4.29Å; Y288-L292 WeakPolarHBondContact O-CB 3.41Å; Y288-L292 PolarHBondContact O-N 3.41Å; L289-L292 PolarHBondContact O-N 2.95Å; L292-G294 PolarHBondContact O-N 3.36Å; L292-L295 PolarHBondContact O-N 3.26Å; L292-L295 VanDerWaalsContact O-N 3.14Å; L292-L296 HydrophobicContact CD1-CD1 3.99Å; L292-L296 HydrophobicContact CD1-CD2 4.24Å; L292-L296 HydrophobicContact CD1-CG 3.95Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.8Å; L292-L296 HydrophobicContact CG-CG 4.21Å; L292-L296 VanDerWaalsContact O-CG 3.25Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 2.83Å; L292-L354 HydrophobicContact CD2-CD2 4.19Å; L292-L357 HydrophobicContact CD2-CD1 3.65Å; L292-L357 HydrophobicContact CG-CD1 4.26Å
293M96.2Very high95.3Very high0 Ų038.5 Ų38.50%019%0.192CC..Hα-helixtrans-59.2-46.5177.8-80.2-52.7-5200113L289 V290 L295 L296 E297 L326 M327 L357L289-M293 PolarHBondContact O-N 3.39Å; V290-M293 PolarHBondContact O-N 3.41Å; M293-L295 VanDerWaalsContact C-N 3.27Å; M293-L295 PolarHBondContact O-N 3.35Å; M293-L296 PolarHBondContact O-N 2.9Å; M293-L296 VanDerWaalsContact O-N 3.14Å; M293-L296 HydrophobicContact SD-CD1 4.48Å; M293-E297 HydrophobicContact CE-CG 4.01Å; M293-E297 PolarHBondContact O-N 3.26Å; M293-L326 HydrophobicContact CB-CB 4.17Å; M293-L326 HydrophobicContact CB-CD1 4.25Å; M293-L326 HydrophobicContact CG-CB 4.28Å; M293-M327 HydrophobicContact CE-CG 4.06Å; M293-M327 HydrophobicContact CG-CE 4.01Å; M293-M327 HydrophobicContact CG-CG 4Å; M293-M327 HydrophobicContact SD-CB 4.49Å; M293-M327 HydrophobicContact SD-CE 4.11Å; M293-M327 HydrophobicContact SD-CG 3.42Å; M293-M327 WeakPolarHBondContact SD-CG 3.22Å; M293-L357 HydrophobicContact SD-CD1 4.41Å; M293-L357 HydrophobicContact SD-CD2 3.47Å; M293-L357 WeakPolarHBondContact SD-CD2 3.48Å
294G95Very high95.1Very high6 Ų647.8 Ų47.86%0.06223%0.229CC..Hα-helixtrans-59.7-36175.200000113.2V290 L291 L292 N298 Y299V290-G294 PolarHBondContact O-N 3.41Å; L291-G294 PolarHBondContact O-N 3Å; L292-G294 PolarHBondContact O-N 3.36Å; G294-N298 CarbonylContact O-C 3.21Å; G294-N298 VanDerWaalsContact O-CA 3.31Å; G294-N298 WeakPolarHBondContact O-CA 3.21Å; G294-N298 PolarHBondContact O-N 2.9Å; G294-Y299 CarbonylContact C-O 3.34Å; G294-Y299 VanDerWaalsContact CA-O 3.23Å; G294-Y299 WeakPolarHBondContact CA-O 3.25Å; G294-Y299 PolarHBondContact O-N 3.5Å
295L95.1Very high95Very high38 Ų3850 Ų5020%0.19924%0.239CC..Hα-helixtrans-74.6-24.3176.3-69.7164.6000114.4H268 L269 K271 L272 L291 L292 M293H268-L295 HydrophobicContact CB-CB 4.18Å; H268-L295 HydrophobicContact CB-CD1 4.33Å; H268-L295 WeakPolarHBondContact O-CD1 3.47Å; L269-L295 HydrophobicContact CD2-CD1 4.04Å; K271-L295 HydrophobicContact CB-CD2 4.36Å; L272-L295 HydrophobicContact CD1-CD1 3.77Å; L272-L295 HydrophobicContact CD1-CD2 4.41Å; L272-L295 HydrophobicContact CD1-CG 4.28Å; L272-L295 HydrophobicContact CD2-CD2 4.42Å; L272-L295 HydrophobicContact CG-CD1 4.03Å; L272-L295 HydrophobicContact CG-CD2 4.21Å; L291-L295 WeakPolarHBondContact O-CD1 3.38Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.42Å; L291-L295 PolarHBondContact O-N 3.43Å; L291-L295 VanDerWaalsContact O-N 3.15Å; L292-L295 PolarHBondContact O-N 3.26Å; L292-L295 VanDerWaalsContact O-N 3.14Å; M293-L295 VanDerWaalsContact C-N 3.27Å; M293-L295 PolarHBondContact O-N 3.35Å
296L95.1Very high95.1Very high13 Ų1348 Ų487%0.06823%0.228CC..Hα-helixtrans-84.3-38.4178.4-68.2175.7000111.9F264 L292 M293 L357 Y361F264-L296 HydrophobicContact CE2-CD2 4.09Å; F264-L296 HydrophobicContact CZ-CD1 4.09Å; F264-L296 HydrophobicContact CZ-CD2 3.78Å; L292-L296 HydrophobicContact CD1-CD1 3.99Å; L292-L296 HydrophobicContact CD1-CD2 4.24Å; L292-L296 HydrophobicContact CD1-CG 3.95Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.8Å; L292-L296 HydrophobicContact CG-CG 4.21Å; L292-L296 VanDerWaalsContact O-CG 3.25Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 2.83Å; M293-L296 PolarHBondContact O-N 2.9Å; M293-L296 VanDerWaalsContact O-N 3.14Å; M293-L296 HydrophobicContact SD-CD1 4.48Å; L296-L357 HydrophobicContact CD1-CB 4.19Å; L296-L357 HydrophobicContact CD1-CD1 4.2Å; L296-L357 HydrophobicContact CD1-CD2 4.25Å; L296-L357 HydrophobicContact CD1-CG 4.44Å; L296-Y361 HydrophobicContact CB-CD1 3.96Å; L296-Y361 HydrophobicContact CB-CD2 4.3Å; L296-Y361 HydrophobicContact CB-CE1 4.02Å; L296-Y361 HydrophobicContact CB-CE2 4.35Å; L296-Y361 HydrophobicContact CB-CG 4.1Å; L296-Y361 HydrophobicContact CD1-CD2 3.75Å; L296-Y361 HydrophobicContact CD1-CE2 4.13Å; L296-Y361 HydrophobicContact CD1-CG 4.1Å; L296-Y361 HydrophobicContact CD2-CG 4.1Å; L296-Y361 HydrophobicContact CG-CD2 4.43Å; L296-Y361 HydrophobicContact CG-CG 4.32Å
297E93.9Very high95.1Very high71 Ų7152 Ų5233%0.33225%0.246SC..THydrogen-bonded Turntrans-89.4-1.7175.4-70.9-68119.100113.5M293 Y299 Y361M293-E297 HydrophobicContact CE-CG 4.01Å; M293-E297 PolarHBondContact O-N 3.26Å; E297-Y299 HydrophobicContact CB-CD1 3.42Å; E297-Y299 VanDerWaalsContact CB-CD1 3.42Å; E297-Y299 HydrophobicContact CB-CE1 3.16Å; E297-Y299 HydrophobicContact CB-CG 4.42Å; E297-Y299 HydrophobicContact CG-CD1 4.44Å; E297-Y299 HydrophobicContact CG-CE1 3.74Å; E297-Y299 PolarHBondContact O-N 3.25Å; E297-Y361 WeakPolarHBondContact OE1-CE1 3.46Å; E297-Y361 VanDerWaalsContact OE1-CZ 3.27Å; E297-Y361 PolarHBondContact OE1-OH 2.94Å
298N92.9Very high95Very high154 Ų15456 Ų5682%0.82427%0.266SS*.THydrogen-bonded Turntrans57.741.8179-168.646.5000114.2G294G294-N298 CarbonylContact O-C 3.21Å; G294-N298 VanDerWaalsContact O-CA 3.31Å; G294-N298 WeakPolarHBondContact O-CA 3.21Å; G294-N298 PolarHBondContact O-N 2.9Å
299Y93.4Very high94.9Very high86 Ų8659.3 Ų59.334%0.33729%0.291SS..  trans-128.3158.2171.663.1-113.8000113G294 E297 V301G294-Y299 CarbonylContact C-O 3.34Å; G294-Y299 VanDerWaalsContact CA-O 3.23Å; G294-Y299 WeakPolarHBondContact CA-O 3.25Å; G294-Y299 PolarHBondContact O-N 3.5Å; E297-Y299 HydrophobicContact CB-CD1 3.42Å; E297-Y299 VanDerWaalsContact CB-CD1 3.42Å; E297-Y299 HydrophobicContact CB-CE1 3.16Å; E297-Y299 HydrophobicContact CB-CG 4.42Å; E297-Y299 HydrophobicContact CG-CD1 4.44Å; E297-Y299 HydrophobicContact CG-CE1 3.74Å; E297-Y299 PolarHBondContact O-N 3.25Å; Y299-V301 HydrophobicContact CD2-CG2 4.3Å; Y299-V301 HydrophobicContact CE2-CG2 3.86Å
300F92.9Very high94.8Very high157 Ų15760 Ų6069%0.68930%0.296SS*.PPolyproline II helixtrans-86.1122.6173.4177.6-103.5000110.9P302 L303F300-P302 WeakPolarHBondContact O-CD 3.3Å; F300-L303 HydrophobicContact CZ-CD2 4.5Å; F300-L303 HydrophobicContact CZ-CG 4.08Å
301V94.4Very high94.6Very high7 Ų768.2 Ų68.24%0.04233%0.334CS..PPolyproline II helixtrans-78123.5170.5-176.40000109.5V290 Y299 L303 F306 F322 L326V290-V301 HydrophobicContact CG1-CB 4.11Å; V290-V301 HydrophobicContact CG1-CG1 3.64Å; V290-V301 HydrophobicContact CG1-CG2 3.98Å; Y299-V301 HydrophobicContact CD2-CG2 4.3Å; Y299-V301 HydrophobicContact CE2-CG2 3.86Å; V301-L303 PolarHBondContact O-N 3.21Å; V301-F306 HydrophobicContact CB-CE1 4.13Å; V301-F306 HydrophobicContact CG1-CD1 3.68Å; V301-F306 HydrophobicContact CG1-CE1 3.64Å; V301-F322 HydrophobicContact CG1-CE1 3.66Å; V301-F322 HydrophobicContact CG1-CZ 4.09Å; V301-L326 HydrophobicContact CG1-CD1 4.44Å; V301-L326 HydrophobicContact CG2-CD1 3.89Å
302P92.8Very high94.5Very high38 Ų3869.9 Ų69.925%0.24734%0.343CS..PPolyproline II helixtrans-63.7127.7176.8-2133000112.6F300 Y304 N305F300-P302 WeakPolarHBondContact O-CD 3.3Å; P302-Y304 HydrophobicContact CB-CD1 3.79Å; P302-Y304 HydrophobicContact CB-CE1 3.38Å; P302-Y304 HydrophobicContact CB-CE2 4.26Å; P302-Y304 HydrophobicContact CB-CG 4.38Å; P302-Y304 HydrophobicContact CG-CE1 4.31Å; P302-Y304 PolarHBondContact O-N 2.85Å; P302-N305 PolarHBondContact O-N 3.09Å
303L90.6Very high94.3Very high94 Ų9474.6 Ų74.649%0.49236%0.364SS..THydrogen-bonded Turntrans-65.3-1.5-177.7-57.3-179.7000115F300 V301 F306F300-L303 HydrophobicContact CZ-CD2 4.5Å; F300-L303 HydrophobicContact CZ-CG 4.08Å; V301-L303 PolarHBondContact O-N 3.21Å; L303-F306 HydrophobicContact CD2-CE1 3.83Å; L303-F306 HydrophobicContact CD2-CZ 3.64Å
304Y91.8Very high94.1Very high197 Ų19781.8 Ų81.877%0.77340%0.397SS*.THydrogen-bonded Turntrans-95.2-9.1172.863.7-102.8000113.3P302P302-Y304 HydrophobicContact CB-CD1 3.79Å; P302-Y304 HydrophobicContact CB-CE1 3.38Å; P302-Y304 HydrophobicContact CB-CE2 4.26Å; P302-Y304 HydrophobicContact CB-CG 4.38Å; P302-Y304 HydrophobicContact CG-CE1 4.31Å; P302-Y304 PolarHBondContact O-N 2.85Å
305N94.8Very high94.2Very high57 Ų5783.4 Ų83.431%0.30540%0.403SS..SBendtrans-86.1-16.8177-71.5-8.6000113.1P302 H318 F322P302-N305 PolarHBondContact O-N 3.09Å; N305-H318 PolarHBondContact O-NE2 2.75Å; N305-F322 HydrophobicContact CB-CD1 4.5Å; N305-F322 HydrophobicContact CB-CE1 3.71Å; N305-F322 HydrophobicContact CB-CE2 4.2Å; N305-F322 HydrophobicContact CB-CZ 3.55Å
306F97.5Very high94.3Very high7 Ų784.8 Ų84.83%0.03141%0.407CS..SBendtrans-146.8155.9-175.975.9-81.4000111.2V287 V290 L291 V301 L303 L308 N319 F322V287-F306 HydrophobicContact CG1-CE2 4.35Å; V290-F306 HydrophobicContact CB-CD2 4.35Å; V290-F306 HydrophobicContact CB-CG 4.47Å; V290-F306 HydrophobicContact CG1-CB 4.44Å; V290-F306 HydrophobicContact CG1-CD1 3.73Å; V290-F306 HydrophobicContact CG1-CD2 4.08Å; V290-F306 HydrophobicContact CG1-CE1 3.86Å; V290-F306 HydrophobicContact CG1-CE2 4.22Å; V290-F306 HydrophobicContact CG1-CG 3.83Å; V290-F306 HydrophobicContact CG1-CZ 4.11Å; V290-F306 HydrophobicContact CG2-CB 4.46Å; V290-F306 HydrophobicContact CG2-CG 4.48Å; L291-F306 HydrophobicContact CD2-CZ 4.11Å; V301-F306 HydrophobicContact CB-CE1 4.13Å; V301-F306 HydrophobicContact CG1-CD1 3.68Å; V301-F306 HydrophobicContact CG1-CE1 3.64Å; L303-F306 HydrophobicContact CD2-CE1 3.83Å; L303-F306 HydrophobicContact CD2-CZ 3.64Å; F306-L308 HydrophobicContact CE2-CD1 4.04Å; F306-L308 HydrophobicContact CZ-CD1 4.36Å; F306-L308 PolarHBondContact O-N 2.8Å; F306-N319 WeakPolarHBondContact CB-OD1 3.04Å; F306-F322 HydrophobicContact CB-CD1 3.95Å; F306-F322 HydrophobicContact CB-CE1 4.27Å; F306-F322 HydrophobicContact CD1-CE1 4.43Å
307F97.5Very high94.3Very high84 Ų8485.3 Ų85.337%0.36841%0.411SS..  trans-85.9107.2-179.2-60.4-84.4000109.8V287 T309 P310 Q315 H318 N319V287-F307 WeakPolarHBondContact CG2-O 3.47Å; F307-T309 PolarHBondContact O-N 3.47Å; F307-P310 HydrophobicContact CB-CB 3.96Å; F307-P310 WeakPolarHBondContact O-CD 3.21Å; F307-Q315 HydrophobicContact CB-CB 4.24Å; F307-Q315 HydrophobicContact CD1-CB 4.41Å; F307-Q315 HydrophobicContact CD1-CG 3.88Å; F307-Q315 HydrophobicContact CD2-CB 3.67Å; F307-Q315 HydrophobicContact CD2-CG 3.75Å; F307-Q315 HydrophobicContact CE1-CG 3.93Å; F307-Q315 HydrophobicContact CE2-CB 4.14Å; F307-Q315 HydrophobicContact CE2-CG 3.81Å; F307-Q315 HydrophobicContact CG-CB 3.84Å; F307-Q315 HydrophobicContact CG-CG 3.8Å; F307-Q315 HydrophobicContact CZ-CG 3.9Å; F307-H318 HydrophobicContact CD2-CB 4.47Å; F307-H318 AromaticContact CD2-CD2 3.81Å; F307-H318 HydrophobicContact CE2-CB 4.23Å; F307-H318 AromaticContact CE2-CD2 3.7Å; F307-H318 AromaticContact CE2-CG 3.91Å; F307-N319 PolarHBondContact N-OD1 3.39Å; F307-N319 PolarHBondContact O-ND2 2.65Å
308L95.2Very high94.5Very high90 Ų9085.8 Ų85.847%0.47141%0.413SS..SBendtrans-64.5-24.5178.3-172.563.2000113.1V287 F306V287-L308 HydrophobicContact CG1-CD1 4.01Å; F306-L308 HydrophobicContact CE2-CD1 4.04Å; F306-L308 HydrophobicContact CZ-CD1 4.36Å; F306-L308 PolarHBondContact O-N 2.8Å
309T95.8Very high94.8Very high114 Ų11478.4 Ų78.470%0.69937%0.374SS*.SBendtrans-134.779.1175.954.10000109.6F307 E311F307-T309 PolarHBondContact O-N 3.47Å; T309-E311 PolarHBondContact O-N 3.31Å
310P95.3Very high95Very high16 Ų1674.3 Ų74.310%0.10436%0.358CS..  trans-79114.5-17331.4-33.7000111.4D285 V287 F307 Q315 K316D285-P310 HydrophobicContact CB-CG 3.74Å; V287-P310 HydrophobicContact CG2-CG 4.2Å; F307-P310 HydrophobicContact CB-CB 3.96Å; F307-P310 WeakPolarHBondContact O-CD 3.21Å; P310-Q315 HydrophobicContact CB-CB 3.67Å; P310-K316 HydrophobicContact CB-CG 3.72Å; P310-K316 HydrophobicContact CG-CG 3.77Å; P310-K316 WeakPolarHBondContact O-CE 3.45Å
311E93.4Very high95.1Very high172 Ų17268.3 Ų68.380%0.80434%0.337SS*.  trans-81.5-33.8-173.4-58.7-173.5151.100112.6T309T309-E311 PolarHBondContact O-N 3.31Å
312N94.1Very high95.2Very high67 Ų6769.1 Ų69.136%0.35834%0.34SS..SBendtrans-119172.9-173.371.742.2000112.8E314 Q315 K316N312-E314 PolarHBondContact OD1-N 3.22Å; N312-E314 VanDerWaalsContact OD1-N 3.12Å; N312-Q315 WeakPolarHBondContact OD1-CG 3.19Å; N312-Q315 PolarHBondContact OD1-N 2.95Å; N312-K316 WeakPolarHBondContact O-CG 3.35Å; N312-K316 PolarHBondContact O-N 2.89Å
313F91.8Very high95.4Very high99 Ų9967.3 Ų67.343%0.43433%0.328SS..Hα-helixtrans-65.2-42-177-176.5-97.1000112.7Q315 K316 V317 E340 V343 N344F313-Q315 PolarHBondContact O-N 3.49Å; F313-K316 PolarHBondContact O-N 2.99Å; F313-V317 HydrophobicContact CD1-CG2 3.89Å; F313-V317 HydrophobicContact CE1-CG2 3.46Å; F313-V317 VanDerWaalsContact CE1-CG2 3.46Å; F313-V317 HydrophobicContact CE2-CG2 4.42Å; F313-V317 HydrophobicContact CZ-CG2 3.75Å; F313-V317 WeakPolarHBondContact O-CG2 3.46Å; F313-V317 PolarHBondContact O-N 2.9Å; F313-E340 HydrophobicContact CE1-CG 4.39Å; F313-E340 HydrophobicContact CZ-CB 4.21Å; F313-E340 HydrophobicContact CZ-CG 4.3Å; F313-V343 HydrophobicContact CD2-CG1 3.57Å; F313-V343 HydrophobicContact CE2-CB 4.02Å; F313-V343 HydrophobicContact CE2-CG1 3.45Å; F313-V343 VanDerWaalsContact CE2-CG1 3.45Å; F313-V343 HydrophobicContact CG-CG1 4.49Å; F313-V343 HydrophobicContact CZ-CG1 4.29Å; F313-N344 WeakPolarHBondContact CE2-ND2 3.38Å; F313-N344 WeakPolarHBondContact CZ-ND2 3.42Å
314E92.5Very high95.7Very high151 Ų15163.2 Ų63.271%0.70631%0.307SS*.Hα-helixtrans-62.8-42.1-178.3-65.3161.2-164.500111.9N312 K316 V317 H318N312-E314 PolarHBondContact OD1-N 3.22Å; N312-E314 VanDerWaalsContact OD1-N 3.12Å; E314-K316 VanDerWaalsContact C-N 3.3Å; E314-K316 PolarHBondContact O-N 3.2Å; E314-V317 PolarHBondContact O-N 3.43Å; E314-H318 WeakPolarHBondContact O-CB 3.38Å; E314-H318 PolarHBondContact O-N 3.34Å
315Q97.2Very high95.8Very high39 Ų3959 Ų5918%0.18229%0.294CS..Hα-helixtrans-63.4-34.1175.7-70.9175.1-10.300112.6F307 P310 N312 F313 N319F307-Q315 HydrophobicContact CB-CB 4.24Å; F307-Q315 HydrophobicContact CD1-CB 4.41Å; F307-Q315 HydrophobicContact CD1-CG 3.88Å; F307-Q315 HydrophobicContact CD2-CB 3.67Å; F307-Q315 HydrophobicContact CD2-CG 3.75Å; F307-Q315 HydrophobicContact CE1-CG 3.93Å; F307-Q315 HydrophobicContact CE2-CB 4.14Å; F307-Q315 HydrophobicContact CE2-CG 3.81Å; F307-Q315 HydrophobicContact CG-CB 3.84Å; F307-Q315 HydrophobicContact CG-CG 3.8Å; F307-Q315 HydrophobicContact CZ-CG 3.9Å; P310-Q315 HydrophobicContact CB-CB 3.67Å; N312-Q315 WeakPolarHBondContact OD1-CG 3.19Å; N312-Q315 PolarHBondContact OD1-N 2.95Å; F313-Q315 PolarHBondContact O-N 3.49Å; Q315-N319 PolarHBondContact O-N 3.44Å; Q315-N319 VanDerWaalsContact O-N 3.08Å; Q315-N319 PolarHBondContact O-OD1 3.26Å
316K97.7Very high95.9Very high67 Ų6756.9 Ų56.929%0.29128%0.283SS..Hα-helixtrans-73.3-41.8175.5-63.3179.8-176-174.60111.5D285 P310 N312 F313 E314 H318 N319 V320 V343D285-K316 HydrophobicContact CB-CD 4.35Å; D285-K316 HydrophobicContact CB-CG 4.27Å; P310-K316 HydrophobicContact CB-CG 3.72Å; P310-K316 HydrophobicContact CG-CG 3.77Å; P310-K316 WeakPolarHBondContact O-CE 3.45Å; N312-K316 WeakPolarHBondContact O-CG 3.35Å; N312-K316 PolarHBondContact O-N 2.89Å; F313-K316 PolarHBondContact O-N 2.99Å; E314-K316 VanDerWaalsContact C-N 3.3Å; E314-K316 PolarHBondContact O-N 3.2Å; K316-H318 VanDerWaalsContact C-N 3.35Å; K316-N319 PolarHBondContact O-N 2.85Å; K316-V320 WeakPolarHBondContact O-CG2 3.5Å; K316-V320 PolarHBondContact O-N 2.87Å; K316-V343 HydrophobicContact CB-CB 4.43Å; K316-V343 HydrophobicContact CB-CG1 3.65Å; K316-V343 HydrophobicContact CB-CG2 3.8Å; K316-V343 HydrophobicContact CD-CG1 4.18Å
317V95.9Very high95.8Very high24 Ų2456.6 Ų56.615%0.14528%0.281CS..Hα-helixtrans-60.5-45.5173.9167.10000110.4F313 E314 N319 V320 A321 P339 E340 V343F313-V317 HydrophobicContact CD1-CG2 3.89Å; F313-V317 HydrophobicContact CE1-CG2 3.46Å; F313-V317 VanDerWaalsContact CE1-CG2 3.46Å; F313-V317 HydrophobicContact CE2-CG2 4.42Å; F313-V317 HydrophobicContact CZ-CG2 3.75Å; F313-V317 WeakPolarHBondContact O-CG2 3.46Å; F313-V317 PolarHBondContact O-N 2.9Å; E314-V317 PolarHBondContact O-N 3.43Å; V317-N319 PolarHBondContact O-N 3.3Å; V317-V320 PolarHBondContact O-N 2.88Å; V317-A321 VanDerWaalsContact O-CB 3.27Å; V317-A321 WeakPolarHBondContact O-CB 3.46Å; V317-A321 PolarHBondContact O-N 3.5Å; V317-P339 HydrophobicContact CG1-CB 4.19Å; V317-E340 HydrophobicContact CG1-CG 4.47Å; V317-E340 HydrophobicContact CG2-CG 4.06Å; V317-V343 HydrophobicContact CG2-CB 4.37Å; V317-V343 HydrophobicContact CG2-CG2 3.99Å
318H97.3Very high95.6Very high81 Ų8156.2 Ų56.238%0.37528%0.281SS..Hα-helixtrans-54.4-51.2172.8176.587.5000111.9N305 F307 E314 K316 V320 A321 F322N305-H318 PolarHBondContact O-NE2 2.75Å; F307-H318 HydrophobicContact CD2-CB 4.47Å; F307-H318 AromaticContact CD2-CD2 3.81Å; F307-H318 HydrophobicContact CE2-CB 4.23Å; F307-H318 AromaticContact CE2-CD2 3.7Å; F307-H318 AromaticContact CE2-CG 3.91Å; E314-H318 WeakPolarHBondContact O-CB 3.38Å; E314-H318 PolarHBondContact O-N 3.34Å; K316-H318 VanDerWaalsContact C-N 3.35Å; H318-V320 PolarHBondContact O-N 3.41Å; H318-A321 PolarHBondContact O-N 3.07Å; H318-F322 VanDerWaalsContact O-CB 3.29Å; H318-F322 WeakPolarHBondContact O-CB 3.43Å; H318-F322 PolarHBondContact O-N 2.69Å
319N98.1Very high95.4Very high0 Ų058.4 Ų58.40%029%0.293CS..Hα-helixtrans-59.5-43.2179.6-73.3-5.9000112.8D285 V290 F306 F307 Q315 K316 V317 A323D285-N319 VanDerWaalsContact O-CB 3.24Å; D285-N319 WeakPolarHBondContact O-CB 3.32Å; D285-N319 PolarHBondContact O-ND2 2.8Å; V290-N319 WeakPolarHBondContact CG2-O 3.44Å; F306-N319 WeakPolarHBondContact CB-OD1 3.04Å; F307-N319 PolarHBondContact N-OD1 3.39Å; F307-N319 PolarHBondContact O-ND2 2.65Å; Q315-N319 PolarHBondContact O-N 3.44Å; Q315-N319 VanDerWaalsContact O-N 3.08Å; Q315-N319 PolarHBondContact O-OD1 3.26Å; K316-N319 PolarHBondContact O-N 2.85Å; V317-N319 PolarHBondContact O-N 3.3Å; N319-A323 WeakPolarHBondContact O-CB 3.47Å; N319-A323 PolarHBondContact O-N 2.83Å
320V97.6Very high95Very high0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-70.9-40.4178.6179.10000111.3L289 K316 V317 H318 A323 F324 P339 V342 V343L289-V320 HydrophobicContact CD1-CG1 4.09Å; L289-V320 HydrophobicContact CD1-CG2 4.37Å; K316-V320 WeakPolarHBondContact O-CG2 3.5Å; K316-V320 PolarHBondContact O-N 2.87Å; V317-V320 PolarHBondContact O-N 2.88Å; H318-V320 PolarHBondContact O-N 3.41Å; V320-A323 WeakPolarHBondContact O-CB 3.43Å; V320-A323 PolarHBondContact O-N 3.23Å; V320-F324 HydrophobicContact CG1-CD1 4.3Å; V320-F324 HydrophobicContact CG1-CE1 3.64Å; V320-F324 HydrophobicContact CG1-CE2 4.04Å; V320-F324 HydrophobicContact CG1-CZ 3.49Å; V320-F324 VanDerWaalsContact CG1-CZ 3.49Å; V320-F324 VanDerWaalsContact O-CD1 3.32Å; V320-F324 WeakPolarHBondContact O-CD1 3.49Å; V320-F324 WeakPolarHBondContact O-CG 3.41Å; V320-F324 PolarHBondContact O-N 3.19Å; V320-P339 HydrophobicContact CB-CB 4.02Å; V320-P339 HydrophobicContact CG1-CB 3.93Å; V320-V342 HydrophobicContact CG1-CB 4.03Å; V320-V342 HydrophobicContact CG1-CG1 4.28Å; V320-V342 HydrophobicContact CG1-CG2 4.17Å; V320-V342 HydrophobicContact CG2-CB 4.39Å; V320-V342 HydrophobicContact CG2-CG1 4.12Å; V320-V343 HydrophobicContact CG2-CG2 3.91Å
321A95.9Very high94.8Very high30 Ų3056.4 Ų56.425%0.24830%0.298CS..Hα-helixtrans-60.9-48.3175.800000111.3V317 H318 A323 F324 E325 P339V317-A321 VanDerWaalsContact O-CB 3.27Å; V317-A321 WeakPolarHBondContact O-CB 3.46Å; V317-A321 PolarHBondContact O-N 3.5Å; H318-A321 PolarHBondContact O-N 3.07Å; A321-A323 VanDerWaalsContact C-N 3.33Å; A321-A323 PolarHBondContact O-N 3.41Å; A321-F324 CarbonylContact O-C 3.59Å; A321-F324 WeakPolarHBondContact O-CA 3.44Å; A321-F324 WeakPolarHBondContact O-CB 3.21Å; A321-F324 PolarHBondContact O-N 3.32Å; A321-E325 PolarHBondContact O-N 3.38Å; A321-P339 HydrophobicContact CB-CB 4.24Å; A321-P339 HydrophobicContact CB-CG 3.83Å
322F97.3Very high94.6Very high25 Ų2549.1 Ų49.111%0.1126%0.264CS..Hα-helixtrans-61.4-38.8175.4178.9-120.6000112V290 V301 N305 F306 H318 F324 E325 L326V290-F322 HydrophobicContact CG1-CD1 4.26Å; V290-F322 HydrophobicContact CG1-CE1 4.1Å; V290-F322 HydrophobicContact CG2-CD1 4.04Å; V301-F322 HydrophobicContact CG1-CE1 3.66Å; V301-F322 HydrophobicContact CG1-CZ 4.09Å; N305-F322 HydrophobicContact CB-CD1 4.5Å; N305-F322 HydrophobicContact CB-CE1 3.71Å; N305-F322 HydrophobicContact CB-CE2 4.2Å; N305-F322 HydrophobicContact CB-CZ 3.55Å; F306-F322 HydrophobicContact CB-CD1 3.95Å; F306-F322 HydrophobicContact CB-CE1 4.27Å; F306-F322 HydrophobicContact CD1-CE1 4.43Å; H318-F322 VanDerWaalsContact O-CB 3.29Å; H318-F322 WeakPolarHBondContact O-CB 3.43Å; H318-F322 PolarHBondContact O-N 2.69Å; F322-F324 VanDerWaalsContact C-N 3.26Å; F322-F324 PolarHBondContact O-N 2.79Å; F322-E325 WeakPolarHBondContact O-CB 3.29Å; F322-E325 PolarHBondContact O-N 3.05Å; F322-E325 VanDerWaalsContact O-N 3.13Å; F322-L326 HydrophobicContact CD1-CD1 4.35Å; F322-L326 HydrophobicContact CE1-CD1 3.87Å; F322-L326 HydrophobicContact CE1-CG 4.28Å; F322-L326 HydrophobicContact CE2-CD2 3.95Å; F322-L326 HydrophobicContact CE2-CG 4.17Å; F322-L326 HydrophobicContact CZ-CD1 4.01Å; F322-L326 HydrophobicContact CZ-CD2 3.81Å; F322-L326 HydrophobicContact CZ-CG 4.01Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 2.88Å
323A97.3Very high93.9Very high0 Ų054.8 Ų54.80%029%0.286CS..Hα-helixtrans-61.1-33.5171.600000112.8L289 V290 N319 V320 A321 M327L289-A323 HydrophobicContact CB-CB 3.65Å; V290-A323 HydrophobicContact CG2-CB 3.86Å; N319-A323 WeakPolarHBondContact O-CB 3.47Å; N319-A323 PolarHBondContact O-N 2.83Å; V320-A323 WeakPolarHBondContact O-CB 3.43Å; V320-A323 PolarHBondContact O-N 3.23Å; A321-A323 VanDerWaalsContact C-N 3.33Å; A321-A323 PolarHBondContact O-N 3.41Å; A323-M327 HydrophobicContact CB-CE 4.34Å; A323-M327 VanDerWaalsContact O-CG 3.28Å; A323-M327 WeakPolarHBondContact O-CG 3.49Å; A323-M327 PolarHBondContact O-N 2.63Å; A323-M327 VanDerWaalsContact O-N 3.11Å
324F95.9Very high93.3Very high8 Ų857 Ų574%0.03530%0.295CS..Hα-helixtrans-75.5-26.7175.3-63.5-3.6000112.7L289 V320 A321 F322 M327 Q328 P335 A337 P339 V342 V353L289-F324 HydrophobicContact CD1-CE1 4.33Å; V320-F324 HydrophobicContact CG1-CD1 4.3Å; V320-F324 HydrophobicContact CG1-CE1 3.64Å; V320-F324 HydrophobicContact CG1-CE2 4.04Å; V320-F324 HydrophobicContact CG1-CZ 3.49Å; V320-F324 VanDerWaalsContact CG1-CZ 3.49Å; V320-F324 VanDerWaalsContact O-CD1 3.32Å; V320-F324 WeakPolarHBondContact O-CD1 3.49Å; V320-F324 WeakPolarHBondContact O-CG 3.41Å; V320-F324 PolarHBondContact O-N 3.19Å; A321-F324 CarbonylContact O-C 3.59Å; A321-F324 WeakPolarHBondContact O-CA 3.44Å; A321-F324 WeakPolarHBondContact O-CB 3.21Å; A321-F324 PolarHBondContact O-N 3.32Å; F322-F324 VanDerWaalsContact C-N 3.26Å; F322-F324 PolarHBondContact O-N 2.79Å; F324-M327 HydrophobicContact CD1-CE 4.11Å; F324-M327 HydrophobicContact CD1-SD 4.06Å; F324-Q328 WeakPolarHBondContact O-CG 3.3Å; F324-Q328 PolarHBondContact O-N 3.25Å; F324-Q328 PolarHBondContact O-NE2 2.77Å; F324-P335 HydrophobicContact CB-CG 4.19Å; F324-P335 HydrophobicContact CD1-CB 4.32Å; F324-P335 HydrophobicContact CD1-CG 3.75Å; F324-P335 HydrophobicContact CD2-CB 4.2Å; F324-P335 HydrophobicContact CD2-CG 4.2Å; F324-P335 HydrophobicContact CE1-CB 4.31Å; F324-P335 HydrophobicContact CE1-CG 4.15Å; F324-P335 HydrophobicContact CE2-CB 4.18Å; F324-P335 HydrophobicContact CG-CB 4.28Å; F324-P335 HydrophobicContact CG-CG 3.78Å; F324-P335 HydrophobicContact CZ-CB 4.24Å; F324-A337 VanDerWaalsContact CE2-O 3.28Å; F324-A337 WeakPolarHBondContact CE2-O 3.49Å; F324-A337 HydrophobicContact CZ-CB 4.4Å; F324-P339 HydrophobicContact CD2-CG 4.07Å; F324-P339 HydrophobicContact CE2-CG 4.01Å; F324-V342 HydrophobicContact CZ-CG2 4.16Å; F324-V353 HydrophobicContact CE1-CB 4.49Å; F324-V353 HydrophobicContact CE1-CG1 3.96Å; F324-V353 HydrophobicContact CE1-CG2 3.64Å; F324-V353 HydrophobicContact CZ-CG2 3.69Å
325E94.7Very high92.9Very high107 Ų10750.5 Ų50.550%0.527%0.266SS..Hα-helixtrans-66.8-51.1168.4-67.2173169.100110.2A321 F322 M327 Q328 D329A321-E325 PolarHBondContact O-N 3.38Å; F322-E325 WeakPolarHBondContact O-CB 3.29Å; F322-E325 PolarHBondContact O-N 3.05Å; F322-E325 VanDerWaalsContact O-N 3.13Å; E325-M327 PolarHBondContact O-N 3.47Å; E325-M327 VanDerWaalsContact O-N 3.15Å; E325-Q328 WeakPolarHBondContact O-CA 3.12Å; E325-Q328 WeakPolarHBondContact O-CB 3.08Å; E325-Q328 PolarHBondContact O-N 3.32Å; E325-D329 PolarHBondContact O-N 3.2Å
326L95.7Very high92Very high14 Ų1454.3 Ų54.37%0.07328%0.282CS..Hα-helixtrans-55.9-33.4175.3-64.5-177.4000113.2V290 M293 V301 F322 G330V290-L326 HydrophobicContact CG1-CD1 4.21Å; M293-L326 HydrophobicContact CB-CB 4.17Å; M293-L326 HydrophobicContact CB-CD1 4.25Å; M293-L326 HydrophobicContact CG-CB 4.28Å; V301-L326 HydrophobicContact CG1-CD1 4.44Å; V301-L326 HydrophobicContact CG2-CD1 3.89Å; F322-L326 HydrophobicContact CD1-CD1 4.35Å; F322-L326 HydrophobicContact CE1-CD1 3.87Å; F322-L326 HydrophobicContact CE1-CG 4.28Å; F322-L326 HydrophobicContact CE2-CD2 3.95Å; F322-L326 HydrophobicContact CE2-CG 4.17Å; F322-L326 HydrophobicContact CZ-CD1 4.01Å; F322-L326 HydrophobicContact CZ-CD2 3.81Å; F322-L326 HydrophobicContact CZ-CG 4.01Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 2.88Å; L326-G330 PolarHBondContact O-N 3.05Å
327M95.3Very high91.3Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-65.8-40.7172.3-73.3170.7-151.700112.8M293 A323 F324 E325 G330 G331 L332 P335 V353 L357M293-M327 HydrophobicContact CE-CG 4.06Å; M293-M327 HydrophobicContact CG-CE 4.01Å; M293-M327 HydrophobicContact CG-CG 4Å; M293-M327 HydrophobicContact SD-CB 4.49Å; M293-M327 HydrophobicContact SD-CE 4.11Å; M293-M327 HydrophobicContact SD-CG 3.42Å; M293-M327 WeakPolarHBondContact SD-CG 3.22Å; A323-M327 HydrophobicContact CB-CE 4.34Å; A323-M327 VanDerWaalsContact O-CG 3.28Å; A323-M327 WeakPolarHBondContact O-CG 3.49Å; A323-M327 PolarHBondContact O-N 2.63Å; A323-M327 VanDerWaalsContact O-N 3.11Å; F324-M327 HydrophobicContact CD1-CE 4.11Å; F324-M327 HydrophobicContact CD1-SD 4.06Å; E325-M327 PolarHBondContact O-N 3.47Å; E325-M327 VanDerWaalsContact O-N 3.15Å; M327-G330 CarbonylContact O-C 3.11Å; M327-G330 PolarHBondContact O-N 2.74Å; M327-G331 PolarHBondContact O-N 3.45Å; M327-L332 HydrophobicContact CB-CB 4.43Å; M327-L332 VanDerWaalsContact O-CB 3.31Å; M327-L332 WeakPolarHBondContact O-CB 3.16Å; M327-L332 PolarHBondContact O-N 2.84Å; M327-P335 HydrophobicContact SD-CG 3.73Å; M327-V353 HydrophobicContact CE-CG1 3.78Å; M327-V353 HydrophobicContact SD-CG1 4.21Å; M327-L357 HydrophobicContact CE-CD1 4.13Å; M327-L357 HydrophobicContact CE-CD2 4.14Å; M327-L357 HydrophobicContact CE-CG 4.43Å; M327-L357 HydrophobicContact CG-CD2 4.01Å; M327-L357 HydrophobicContact SD-CD2 4.07Å
328Q92.8Very high90.8Very high77 Ų7751.8 Ų51.836%0.3627%0.27SS..Hα-helixtrans-72.2-37.1179.1-70.6165.2103.700111.5F324 E325 G330 G331 K334F324-Q328 WeakPolarHBondContact O-CG 3.3Å; F324-Q328 PolarHBondContact O-N 3.25Å; F324-Q328 PolarHBondContact O-NE2 2.77Å; E325-Q328 WeakPolarHBondContact O-CA 3.12Å; E325-Q328 WeakPolarHBondContact O-CB 3.08Å; E325-Q328 PolarHBondContact O-N 3.32Å; Q328-G330 VanDerWaalsContact C-N 3.33Å; Q328-G331 WeakPolarHBondContact O-CA 3.31Å; Q328-G331 PolarHBondContact O-N 3.04Å; Q328-K334 HydrophobicContact CG-CB 4.02Å; Q328-K334 HydrophobicContact CG-CG 4.42Å
329D91.4Very high90.5Very high136 Ų13649 Ų4973%0.72726%0.259SS*.Hα-helixtrans-65.4-36.5173.5-70.6-17.3000111.8E325 G331E325-D329 PolarHBondContact O-N 3.2Å; D329-G331 PolarHBondContact O-N 2.88Å; D329-G331 VanDerWaalsContact O-N 3.17Å
330G88.9Confident90.1Very high21 Ų2150.6 Ų50.622%0.21627%0.267CS..THydrogen-bonded Turntrans-70.36.1166.900000114.7L326 M327 Q328 L332L326-G330 PolarHBondContact O-N 3.05Å; M327-G330 CarbonylContact O-C 3.11Å; M327-G330 PolarHBondContact O-N 2.74Å; Q328-G330 VanDerWaalsContact C-N 3.33Å; G330-L332 PolarHBondContact O-N 2.98Å
331G89.4Confident89.6Confident67 Ų6751.3 Ų51.369%0.69127%0.27SS*.THydrogen-bonded Turntrans79.77.5175.300000115.8M327 Q328 D329M327-G331 PolarHBondContact O-N 3.45Å; Q328-G331 WeakPolarHBondContact O-CA 3.31Å; Q328-G331 PolarHBondContact O-N 3.04Å; D329-G331 PolarHBondContact O-N 2.88Å; D329-G331 VanDerWaalsContact O-N 3.17Å
332L89.1Confident89.4Confident18 Ų1849.9 Ų49.99%0.09426%0.258CS..  trans-75.6152.9174-7767.1000110.6M327 G330 K334 L357 N360 Y361M327-L332 HydrophobicContact CB-CB 4.43Å; M327-L332 VanDerWaalsContact O-CB 3.31Å; M327-L332 WeakPolarHBondContact O-CB 3.16Å; M327-L332 PolarHBondContact O-N 2.84Å; G330-L332 PolarHBondContact O-N 2.98Å; L332-K334 PolarHBondContact O-N 3.13Å; L332-L357 HydrophobicContact CD2-CD2 3.87Å; L332-N360 HydrophobicContact CD2-CB 4.47Å; L332-Y361 HydrophobicContact CD1-CE2 3.76Å; L332-Y361 VanDerWaalsContact CD1-OH 3.29Å; L332-Y361 WeakPolarHBondContact CD1-OH 3.44Å; L332-Y361 HydrophobicContact CD2-CE2 3.91Å; L332-Y361 HydrophobicContact CG-CE2 4.47Å
333K81.1Confident89.3Confident186 Ų18649.4 Ų49.481%0.80926%0.258SS*.  trans-62.3134.6167.7-65.1-175.2179.2-176.70109.5
334K79.1Confident89Confident146 Ų14653 Ų5364%0.63528%0.277SS*.  trans-44.9128.1173.3-171.2174.6-178.1173.40110.3Q328 L332Q328-K334 HydrophobicContact CG-CB 4.02Å; Q328-K334 HydrophobicContact CG-CG 4.42Å; L332-K334 PolarHBondContact O-N 3.13Å
335P83.9Confident88.7Confident14 Ų1457.5 Ų57.59%0.09130%0.301CS..  trans-55141.5177.7-29.537.8000112.9F324 M327 A337 V353F324-P335 HydrophobicContact CB-CG 4.19Å; F324-P335 HydrophobicContact CD1-CB 4.32Å; F324-P335 HydrophobicContact CD1-CG 3.75Å; F324-P335 HydrophobicContact CD2-CB 4.2Å; F324-P335 HydrophobicContact CD2-CG 4.2Å; F324-P335 HydrophobicContact CE1-CB 4.31Å; F324-P335 HydrophobicContact CE1-CG 4.15Å; F324-P335 HydrophobicContact CE2-CB 4.18Å; F324-P335 HydrophobicContact CG-CB 4.28Å; F324-P335 HydrophobicContact CG-CG 3.78Å; F324-P335 HydrophobicContact CZ-CB 4.24Å; M327-P335 HydrophobicContact SD-CG 3.73Å; P335-A337 PolarHBondContact O-N 2.82Å; P335-V353 HydrophobicContact CB-CG2 4.23Å
336K77.1Confident88.3Confident120 Ų12054.2 Ų54.252%0.52229%0.287SS..SBendtrans-72.8-14.6173.1-75.8-168.9174.9-173.10113.4
337A83.7Confident87.9Confident9 Ų955.5 Ų55.57%0.07429%0.293CS..SBendtrans-80147.8176.600000110.5F324 P335 V353F324-A337 VanDerWaalsContact CE2-O 3.28Å; F324-A337 WeakPolarHBondContact CE2-O 3.49Å; F324-A337 HydrophobicContact CZ-CB 4.4Å; P335-A337 PolarHBondContact O-N 2.82Å; A337-V353 HydrophobicContact CB-CG2 4.02Å
338R84.3Confident87.4Confident29 Ų2956.7 Ų56.711%0.10930%0.298CS..  trans-84.8148.9166.7-50.6175.7-66169.55.3109.8L195 A196 I198 E340 D341L195-R338 HydrophobicContact CB-CG 3.99Å; L195-R338 WeakPolarHBondContact O-CD 3.35Å; A196-R338 PolarHBondContact O-NH1 3.39Å; I198-R338 PolarHBondContact O-NH1 2.99Å; R338-E340 WeakPolarHBondContact CB-OE2 3.37Å; R338-E340 PolarHBondContact O-N 2.68Å; R338-D341 VanDerWaalsContact CB-OD2 3.28Å; R338-D341 WeakPolarHBondContact CB-OD2 3.41Å; R338-D341 WeakPolarHBondContact CG-OD2 3.44Å; R338-D341 IonicContact CZ-OD1 2.82Å; R338-D341 IonicContact CZ-OD2 2.76Å; R338-D341 PolarHBondContact N-OD2 2.92Å; R338-D341 IonicContact NE-OD1 2.82Å; R338-D341 PolarHBondContact NE-OD1 3.35Å; R338-D341 IonicContact NE-OD2 2.94Å; R338-D341 PolarHBondContact NE-OD2 3.37Å; R338-D341 IonicContact NH2-OD1 3.68Å; R338-D341 PolarHBondContact NH2-OD1 2.88Å; R338-D341 IonicContact NH2-OD2 3.06Å; R338-D341 PolarHBondContact O-N 3.26Å; R338-D341 VanDerWaalsContact O-N 3.13Å
339P91.1Very high87.2Confident23 Ų2353.2 Ų53.215%0.14928%0.283CS..Hα-helixtrans-54.3-41.5176.1-27.436.7000112.9V317 V320 A321 F324 D341 V342 V343V317-P339 HydrophobicContact CG1-CB 4.19Å; V320-P339 HydrophobicContact CB-CB 4.02Å; V320-P339 HydrophobicContact CG1-CB 3.93Å; A321-P339 HydrophobicContact CB-CB 4.24Å; A321-P339 HydrophobicContact CB-CG 3.83Å; F324-P339 HydrophobicContact CD2-CG 4.07Å; F324-P339 HydrophobicContact CE2-CG 4.01Å; P339-D341 VanDerWaalsContact C-N 3.27Å; P339-D341 PolarHBondContact O-N 2.91Å; P339-V342 PolarHBondContact O-N 3.29Å; P339-V343 WeakPolarHBondContact O-CG2 3.32Å; P339-V343 PolarHBondContact O-N 3.18Å; P339-V343 VanDerWaalsContact O-N 3.13Å
340E89.5Confident87.2Confident33 Ų3346.8 Ų46.815%0.15425%0.249CC..Hα-helixtrans-61.7-32.9179.9-57.674.3-163.900112.2F313 V317 R338 V343 N344F313-E340 HydrophobicContact CE1-CG 4.39Å; F313-E340 HydrophobicContact CZ-CB 4.21Å; F313-E340 HydrophobicContact CZ-CG 4.3Å; V317-E340 HydrophobicContact CG1-CG 4.47Å; V317-E340 HydrophobicContact CG2-CG 4.06Å; R338-E340 WeakPolarHBondContact CB-OE2 3.37Å; R338-E340 PolarHBondContact O-N 2.68Å; E340-V343 PolarHBondContact O-N 3.21Å; E340-N344 VanDerWaalsContact O-CB 3.3Å; E340-N344 WeakPolarHBondContact O-CB 3.47Å; E340-N344 PolarHBondContact O-N 3.46Å; E340-N344 PolarHBondContact O-ND2 3.01Å
341D87.9Confident87.3Confident14 Ų1445.8 Ų45.88%0.07524%0.238CC..Hα-helixtrans-68.1-38.8179.5-62.8-43.9000111.1R338 P339 N344 N346 S349R338-D341 VanDerWaalsContact CB-OD2 3.28Å; R338-D341 WeakPolarHBondContact CB-OD2 3.41Å; R338-D341 WeakPolarHBondContact CG-OD2 3.44Å; R338-D341 IonicContact CZ-OD1 2.82Å; R338-D341 IonicContact CZ-OD2 2.76Å; R338-D341 PolarHBondContact N-OD2 2.92Å; R338-D341 IonicContact NE-OD1 2.82Å; R338-D341 PolarHBondContact NE-OD1 3.35Å; R338-D341 IonicContact NE-OD2 2.94Å; R338-D341 PolarHBondContact NE-OD2 3.37Å; R338-D341 IonicContact NH2-OD1 3.68Å; R338-D341 PolarHBondContact NH2-OD1 2.88Å; R338-D341 IonicContact NH2-OD2 3.06Å; R338-D341 PolarHBondContact O-N 3.26Å; R338-D341 VanDerWaalsContact O-N 3.13Å; P339-D341 VanDerWaalsContact C-N 3.27Å; P339-D341 PolarHBondContact O-N 2.91Å; D341-N344 PolarHBondContact O-N 3.12Å; D341-N346 HydrophobicContact CB-CB 4.17Å; D341-N346 WeakPolarHBondContact O-CB 3.39Å; D341-N346 PolarHBondContact O-N 3.32Å; D341-S349 WeakPolarHBondContact CB-OG 3.42Å
342V92.8Very high87.2Confident0 Ų045 Ų450%021%0.214CC..Hα-helixtrans-67.3-43.7175.4179.50000110.5A284 L289 V320 F324 P339 N344 L345 V353A284-V342 WeakPolarHBondContact CB-O 3.39Å; L289-V342 HydrophobicContact CD1-CG1 4.38Å; V320-V342 HydrophobicContact CG1-CB 4.03Å; V320-V342 HydrophobicContact CG1-CG1 4.28Å; V320-V342 HydrophobicContact CG1-CG2 4.17Å; V320-V342 HydrophobicContact CG2-CB 4.39Å; V320-V342 HydrophobicContact CG2-CG1 4.12Å; F324-V342 HydrophobicContact CZ-CG2 4.16Å; P339-V342 PolarHBondContact O-N 3.29Å; V342-N344 VanDerWaalsContact C-N 3.31Å; V342-N344 PolarHBondContact O-N 3.17Å; V342-L345 PolarHBondContact O-N 3.1Å; V342-L345 VanDerWaalsContact O-N 3.13Å; V342-V353 HydrophobicContact CG2-CG2 4.47Å
343V93.7Very high87.4Confident16 Ų1644.2 Ų44.210%0.09721%0.21CC..Hα-helixtrans-66.1-32.7177.6-178.70000112.1A284 F313 K316 V317 V320 P339 E340 L345A284-V343 WeakPolarHBondContact O-CA 3.44Å; F313-V343 HydrophobicContact CD2-CG1 3.57Å; F313-V343 HydrophobicContact CE2-CB 4.02Å; F313-V343 HydrophobicContact CE2-CG1 3.45Å; F313-V343 VanDerWaalsContact CE2-CG1 3.45Å; F313-V343 HydrophobicContact CG-CG1 4.49Å; F313-V343 HydrophobicContact CZ-CG1 4.29Å; K316-V343 HydrophobicContact CB-CB 4.43Å; K316-V343 HydrophobicContact CB-CG1 3.65Å; K316-V343 HydrophobicContact CB-CG2 3.8Å; K316-V343 HydrophobicContact CD-CG1 4.18Å; V317-V343 HydrophobicContact CG2-CB 4.37Å; V317-V343 HydrophobicContact CG2-CG2 3.99Å; V320-V343 HydrophobicContact CG2-CG2 3.91Å; P339-V343 WeakPolarHBondContact O-CG2 3.32Å; P339-V343 PolarHBondContact O-N 3.18Å; P339-V343 VanDerWaalsContact O-N 3.13Å; E340-V343 PolarHBondContact O-N 3.21Å; V343-L345 PolarHBondContact O-N 3.15Å
344N90.9Very high88Confident75 Ų7535.3 Ų35.340%0.40117%0.172SC..THydrogen-bonded Turntrans-81.919.2173.3-77.2-86.3000113.7F313 E340 D341 V342 N346F313-N344 WeakPolarHBondContact CE2-ND2 3.38Å; F313-N344 WeakPolarHBondContact CZ-ND2 3.42Å; E340-N344 VanDerWaalsContact O-CB 3.3Å; E340-N344 WeakPolarHBondContact O-CB 3.47Å; E340-N344 PolarHBondContact O-N 3.46Å; E340-N344 PolarHBondContact O-ND2 3.01Å; D341-N344 PolarHBondContact O-N 3.12Å; V342-N344 VanDerWaalsContact C-N 3.31Å; V342-N344 PolarHBondContact O-N 3.17Å; N344-N346 VanDerWaalsContact C-N 3.25Å; N344-N346 PolarHBondContact O-N 3.07Å
345L90.8Very high88.5Confident103 Ų10333.1 Ų33.154%0.53916%0.16SC..THydrogen-bonded Turntrans61.825.4175.6-51.9165.6000114E280 A284 V342 V343 L347E280-L345 VanDerWaalsContact O-CD2 3.27Å; E280-L345 WeakPolarHBondContact O-CD2 3.48Å; A284-L345 HydrophobicContact CB-CD2 3.58Å; V342-L345 PolarHBondContact O-N 3.1Å; V342-L345 VanDerWaalsContact O-N 3.13Å; V343-L345 PolarHBondContact O-N 3.15Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 PolarHBondContact O-N 3.11Å
346N86.8Confident88.7Confident38 Ų3834.3 Ų34.320%0.20317%0.166CC..  trans-71.794173.2-172.9-75.6000109.7E232 D341 N344 K348 S349 T350E232-N346 PolarHBondContact OE1-ND2 2.97Å; D341-N346 HydrophobicContact CB-CB 4.17Å; D341-N346 WeakPolarHBondContact O-CB 3.39Å; D341-N346 PolarHBondContact O-N 3.32Å; N344-N346 VanDerWaalsContact C-N 3.25Å; N344-N346 PolarHBondContact O-N 3.07Å; N346-K348 PolarHBondContact O-N 3.36Å; N346-K348 VanDerWaalsContact O-N 3.09Å; N346-K348 WeakPolarHBondContact OD1-CB 3.45Å; N346-K348 PolarHBondContact OD1-N 2.97Å; N346-S349 WeakPolarHBondContact O-CB 3.31Å; N346-S349 PolarHBondContact O-N 2.86Å; N346-S349 PolarHBondContact OD1-N 2.97Å; N346-T350 PolarHBondContact O-N 2.8Å; N346-T350 PolarHBondContact O-OG1 3.43Å
347L86.9Confident89.5Confident40 Ų4028.6 Ų28.621%0.20914%0.141CC..Hα-helixtrans-49.3-36.4178.7175.765000112.9E280 L345 T350 L351E280-L347 HydrophobicContact CG-CD1 3.97Å; E280-L347 HydrophobicContact CG-CD2 4.39Å; E280-L347 WeakPolarHBondContact OE1-CD1 3.41Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 PolarHBondContact O-N 3.11Å; L347-T350 PolarHBondContact O-N 2.61Å; L347-L351 HydrophobicContact CD1-CD1 3.7Å; L347-L351 HydrophobicContact CD1-CD2 4.25Å; L347-L351 HydrophobicContact CD1-CG 3.72Å; L347-L351 HydrophobicContact CD2-CD1 4.33Å; L347-L351 HydrophobicContact CG-CD1 3.71Å; L347-L351 HydrophobicContact CG-CG 4.14Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.27Å; L347-L351 WeakPolarHBondContact O-CG 3.07Å; L347-L351 PolarHBondContact O-N 2.89Å
348K84.1Confident89.9Confident25 Ų2530.4 Ų30.411%0.10915%0.147CC..Hα-helixtrans-68.3-40.3-178.9-178.9173.7-167.81750111.7D244 L247 N346 R352D244-K348 WeakPolarHBondContact OD1-CE 3.49Å; D244-K348 IonicContact OD1-NZ 3.49Å; D244-K348 PolarHBondContact OD1-NZ 3.02Å; L247-K348 HydrophobicContact CD1-CB 4.09Å; L247-K348 HydrophobicContact CD1-CD 3.59Å; L247-K348 HydrophobicContact CD1-CG 3.53Å; N346-K348 PolarHBondContact O-N 3.36Å; N346-K348 VanDerWaalsContact O-N 3.09Å; N346-K348 WeakPolarHBondContact OD1-CB 3.45Å; N346-K348 PolarHBondContact OD1-N 2.97Å; K348-R352 WeakPolarHBondContact O-CB 3.44Å; K348-R352 VanDerWaalsContact O-CG 3.3Å; K348-R352 WeakPolarHBondContact O-CG 3.37Å; K348-R352 PolarHBondContact O-N 3.39Å; K348-R352 VanDerWaalsContact O-N 3.13Å
349S88.3Confident90.1Very high4 Ų431.6 Ų31.63%0.02816%0.158CC..Hα-helixtrans-65.5-48.5170-78.70000112.1D341 N346 L351 R352 V353D341-S349 WeakPolarHBondContact CB-OG 3.42Å; N346-S349 WeakPolarHBondContact O-CB 3.31Å; N346-S349 PolarHBondContact O-N 2.86Å; N346-S349 PolarHBondContact OD1-N 2.97Å; S349-L351 PolarHBondContact O-N 3.46Å; S349-R352 WeakPolarHBondContact O-CB 3.21Å; S349-R352 PolarHBondContact O-N 3.19Å; S349-V353 WeakPolarHBondContact O-CG2 3.05Å; S349-V353 PolarHBondContact O-N 2.69Å; S349-V353 VanDerWaalsContact O-N 3.08Å
350T92.1Very high90.1Very high2 Ų234.9 Ų34.91%0.01217%0.174CC..Hα-helixtrans-60.6-45.8178.9-51.50000112.1L279 F283 N346 L347 R352 V353 L354L279-T350 WeakPolarHBondContact O-CG2 3.29Å; F283-T350 HydrophobicContact CB-CG2 3.87Å; F283-T350 HydrophobicContact CD2-CG2 4.26Å; F283-T350 HydrophobicContact CG-CG2 4.35Å; N346-T350 PolarHBondContact O-N 2.8Å; N346-T350 PolarHBondContact O-OG1 3.43Å; L347-T350 PolarHBondContact O-N 2.61Å; T350-R352 VanDerWaalsContact C-N 3.34Å; T350-R352 PolarHBondContact O-N 3.01Å; T350-V353 PolarHBondContact O-N 3.19Å; T350-L354 HydrophobicContact CG2-CD1 4.12Å; T350-L354 HydrophobicContact CG2-CG 4.47Å; T350-L354 WeakPolarHBondContact O-CG 3.41Å; T350-L354 PolarHBondContact O-N 3.37Å
351L90.3Very high90.2Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-65-34.9177.3-69.2173.7000112.6F243 L254 K258 L261 L279 L347 S349 Y355F243-L351 HydrophobicContact CE1-CB 3.58Å; F243-L351 HydrophobicContact CE1-CD1 3.82Å; F243-L351 HydrophobicContact CE1-CG 4.35Å; F243-L351 HydrophobicContact CZ-CB 3.55Å; F243-L351 HydrophobicContact CZ-CD1 4.13Å; F243-L351 HydrophobicContact CZ-CG 4.38Å; L254-L351 HydrophobicContact CD1-CD1 3.92Å; K258-L351 HydrophobicContact CG-CD1 4.41Å; K258-L351 HydrophobicContact CG-CD2 4.14Å; L261-L351 HydrophobicContact CD1-CD2 3.69Å; L279-L351 HydrophobicContact CB-CD2 4.3Å; L279-L351 HydrophobicContact CD1-CD2 3.57Å; L347-L351 HydrophobicContact CD1-CD1 3.7Å; L347-L351 HydrophobicContact CD1-CD2 4.25Å; L347-L351 HydrophobicContact CD1-CG 3.72Å; L347-L351 HydrophobicContact CD2-CD1 4.33Å; L347-L351 HydrophobicContact CG-CD1 3.71Å; L347-L351 HydrophobicContact CG-CG 4.14Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.27Å; L347-L351 WeakPolarHBondContact O-CG 3.07Å; L347-L351 PolarHBondContact O-N 2.89Å; S349-L351 PolarHBondContact O-N 3.46Å; L351-Y355 WeakPolarHBondContact O-CB 3.37Å; L351-Y355 PolarHBondContact O-N 3.49Å
352R87.8Confident90Very high50 Ų5038.8 Ų38.819%0.18919%0.189CC..Hα-helixtrans-62.8-43.3173.2-83172.9166142.36.5112.2D241 F243 D244 K348 S349 T350 N356D241-R352 IonicContact OD1-CZ 2.72Å; D241-R352 IonicContact OD1-NE 3.47Å; D241-R352 IonicContact OD1-NH2 3.55Å; D241-R352 PolarHBondContact OD1-NH2 3.3Å; D241-R352 IonicContact OD2-CZ 2.68Å; D241-R352 IonicContact OD2-NE 2.68Å; D241-R352 PolarHBondContact OD2-NE 3.05Å; D241-R352 IonicContact OD2-NH2 3.49Å; D241-R352 PolarHBondContact OD2-NH2 2.88Å; F243-R352 HydrophobicContact CB-CG 4.41Å; F243-R352 HydrophobicContact CG-CG 4.35Å; D244-R352 IonicContact OD1-CZ 2.73Å; D244-R352 IonicContact OD1-NH2 2.67Å; D244-R352 PolarHBondContact OD1-NH2 3.31Å; D244-R352 IonicContact OD2-CZ 2.68Å; D244-R352 IonicContact OD2-NH2 2.69Å; D244-R352 PolarHBondContact OD2-NH2 3.31Å; K348-R352 WeakPolarHBondContact O-CB 3.44Å; K348-R352 VanDerWaalsContact O-CG 3.3Å; K348-R352 WeakPolarHBondContact O-CG 3.37Å; K348-R352 PolarHBondContact O-N 3.39Å; K348-R352 VanDerWaalsContact O-N 3.13Å; S349-R352 WeakPolarHBondContact O-CB 3.21Å; S349-R352 PolarHBondContact O-N 3.19Å; T350-R352 VanDerWaalsContact C-N 3.34Å; T350-R352 PolarHBondContact O-N 3.01Å; R352-N356 PolarHBondContact O-N 2.91Å
353V92.4Very high89.5Confident1 Ų145.3 Ų45.31%0.00622%0.224CC..Hα-helixtrans-61-54.7175.3173.50000110.3L289 F324 M327 P335 A337 V342 S349 T350 Y355 N356 L357L289-V353 HydrophobicContact CD1-CG1 4.33Å; L289-V353 HydrophobicContact CD2-CG1 3.99Å; F324-V353 HydrophobicContact CE1-CB 4.49Å; F324-V353 HydrophobicContact CE1-CG1 3.96Å; F324-V353 HydrophobicContact CE1-CG2 3.64Å; F324-V353 HydrophobicContact CZ-CG2 3.69Å; M327-V353 HydrophobicContact CE-CG1 3.78Å; M327-V353 HydrophobicContact SD-CG1 4.21Å; P335-V353 HydrophobicContact CB-CG2 4.23Å; A337-V353 HydrophobicContact CB-CG2 4.02Å; V342-V353 HydrophobicContact CG2-CG2 4.47Å; S349-V353 WeakPolarHBondContact O-CG2 3.05Å; S349-V353 PolarHBondContact O-N 2.69Å; S349-V353 VanDerWaalsContact O-N 3.08Å; T350-V353 PolarHBondContact O-N 3.19Å; V353-Y355 VanDerWaalsContact C-N 3.31Å; V353-Y355 PolarHBondContact O-N 3.1Å; V353-N356 WeakPolarHBondContact O-CB 3.32Å; V353-N356 PolarHBondContact O-N 2.78Å; V353-L357 PolarHBondContact O-N 3.07Å; V353-L357 VanDerWaalsContact O-N 3.16Å
354L93.6Very high88.7Confident0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-64.6-33.6-178.1-64.1178.6000112.9L261 V265 L279 F283 L289 L292 T350 L357 F358L261-L354 HydrophobicContact CD1-CB 4.19Å; L261-L354 HydrophobicContact CD2-CB 4.33Å; V265-L354 HydrophobicContact CG1-CD2 4.03Å; L279-L354 HydrophobicContact CD2-CD1 3.89Å; F283-L354 HydrophobicContact CD1-CD2 4.28Å; F283-L354 HydrophobicContact CD2-CD1 3.8Å; F283-L354 HydrophobicContact CD2-CD2 4.48Å; F283-L354 HydrophobicContact CE1-CD2 3.92Å; F283-L354 HydrophobicContact CE2-CD1 3.57Å; F283-L354 HydrophobicContact CE2-CD2 4.15Å; F283-L354 HydrophobicContact CE2-CG 4.48Å; F283-L354 HydrophobicContact CG-CD1 4.5Å; F283-L354 HydrophobicContact CZ-CD1 4.12Å; F283-L354 HydrophobicContact CZ-CD2 3.86Å; L289-L354 HydrophobicContact CD2-CD2 3.79Å; L292-L354 HydrophobicContact CD2-CD2 4.19Å; T350-L354 HydrophobicContact CG2-CD1 4.12Å; T350-L354 HydrophobicContact CG2-CG 4.47Å; T350-L354 WeakPolarHBondContact O-CG 3.41Å; T350-L354 PolarHBondContact O-N 3.37Å; L354-L357 HydrophobicContact CD2-CD1 4.44Å; L354-L357 PolarHBondContact O-N 3.5Å; L354-F358 WeakPolarHBondContact O-CB 3.43Å; L354-F358 PolarHBondContact O-N 3.18Å
355Y89.9Confident87.2Confident100 Ų10052.2 Ų52.239%0.39226%0.258SS..Hα-helixtrans-70-36.9175.7-171.8-99000112.4F243 V257 L261 L351 V353 F358 T359F243-Y355 HydrophobicContact CD2-CG 4.47Å; F243-Y355 HydrophobicContact CE2-CD2 4.25Å; F243-Y355 HydrophobicContact CE2-CG 4.01Å; V257-Y355 HydrophobicContact CG1-CD2 4.4Å; L261-Y355 HydrophobicContact CD2-CD2 4.47Å; L351-Y355 WeakPolarHBondContact O-CB 3.37Å; L351-Y355 PolarHBondContact O-N 3.49Å; V353-Y355 VanDerWaalsContact C-N 3.31Å; V353-Y355 PolarHBondContact O-N 3.1Å; Y355-F358 HydrophobicContact CD2-CD1 4.24Å; Y355-F358 HydrophobicContact CE2-CD1 4.18Å; Y355-F358 PolarHBondContact O-N 2.93Å; Y355-T359 HydrophobicContact CD1-CG2 3.97Å; Y355-T359 HydrophobicContact CE1-CG2 3.49Å; Y355-T359 VanDerWaalsContact CE1-CG2 3.49Å; Y355-T359 HydrophobicContact CE2-CG2 4.25Å; Y355-T359 WeakPolarHBondContact O-CG2 3.39Å; Y355-T359 PolarHBondContact O-N 3.05Å; Y355-T359 PolarHBondContact O-OG1 3.12Å
356N89.8Confident87Confident39 Ų3949.7 Ų49.721%0.20924%0.244CC..Hα-helixtrans-59.3-47.6171.6-171.925.3000110.7R352 V353 T359 N360R352-N356 PolarHBondContact O-N 2.91Å; V353-N356 WeakPolarHBondContact O-CB 3.32Å; V353-N356 PolarHBondContact O-N 2.78Å; N356-T359 PolarHBondContact O-N 3.01Å; N356-T359 PolarHBondContact O-OG1 3.35Å; N356-N360 PolarHBondContact O-N 3.24Å; N356-N360 PolarHBondContact O-ND2 3.02Å; N356-N360 PolarHBondContact OD1-ND2 2.93Å; N356-N360 VanDerWaalsContact OD1-ND2 3.16Å
357L92.8Very high87Confident0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-58.2-51.1174.2-60.9-178.4000111.2F264 L292 M293 L296 M327 L332 V353 L354 T359 N360 Y361F264-L357 HydrophobicContact CE1-CB 3.93Å; F264-L357 HydrophobicContact CZ-CB 4.29Å; L292-L357 HydrophobicContact CD2-CD1 3.65Å; L292-L357 HydrophobicContact CG-CD1 4.26Å; M293-L357 HydrophobicContact SD-CD1 4.41Å; M293-L357 HydrophobicContact SD-CD2 3.47Å; M293-L357 WeakPolarHBondContact SD-CD2 3.48Å; L296-L357 HydrophobicContact CD1-CB 4.19Å; L296-L357 HydrophobicContact CD1-CD1 4.2Å; L296-L357 HydrophobicContact CD1-CD2 4.25Å; L296-L357 HydrophobicContact CD1-CG 4.44Å; M327-L357 HydrophobicContact CE-CD1 4.13Å; M327-L357 HydrophobicContact CE-CD2 4.14Å; M327-L357 HydrophobicContact CE-CG 4.43Å; M327-L357 HydrophobicContact CG-CD2 4.01Å; M327-L357 HydrophobicContact SD-CD2 4.07Å; L332-L357 HydrophobicContact CD2-CD2 3.87Å; V353-L357 PolarHBondContact O-N 3.07Å; V353-L357 VanDerWaalsContact O-N 3.16Å; L354-L357 HydrophobicContact CD2-CD1 4.44Å; L354-L357 PolarHBondContact O-N 3.5Å; L357-T359 VanDerWaalsContact C-N 3.35Å; L357-T359 PolarHBondContact O-N 3.31Å; L357-N360 PolarHBondContact O-N 3.2Å; L357-Y361 HydrophobicContact CB-CD2 4.47Å; L357-Y361 HydrophobicContact CD2-CD2 4.37Å; L357-Y361 HydrophobicContact CD2-CE2 4.1Å; L357-Y361 WeakPolarHBondContact O-CD2 3.49Å; L357-Y361 PolarHBondContact O-N 2.85Å
358F92Very high87Confident47 Ų4750.9 Ų50.921%0.20625%0.248CC..Hα-helixtrans-56.6-43.8178.6173.4-105.9000112.8L261 F264 L354 Y355 N360 K362L261-F358 HydrophobicContact CD2-CB 3.55Å; L261-F358 HydrophobicContact CD2-CD1 4.41Å; L261-F358 HydrophobicContact CD2-CG 3.96Å; F264-F358 HydrophobicContact CB-CD2 3.75Å; F264-F358 HydrophobicContact CB-CE2 4.33Å; F264-F358 HydrophobicContact CD1-CB 3.94Å; F264-F358 HydrophobicContact CD1-CD2 4.23Å; F264-F358 AromaticContact CD2-CD2 3.99Å; F264-F358 HydrophobicContact CD2-CD2 3.99Å; F264-F358 HydrophobicContact CE1-CB 4.14Å; F264-F358 HydrophobicContact CG-CB 4.29Å; F264-F358 AromaticContact CG-CD2 3.72Å; F264-F358 HydrophobicContact CG-CD2 3.72Å; F264-F358 HydrophobicContact CG-CG 4.5Å; L354-F358 WeakPolarHBondContact O-CB 3.43Å; L354-F358 PolarHBondContact O-N 3.18Å; Y355-F358 HydrophobicContact CD2-CD1 4.24Å; Y355-F358 HydrophobicContact CE2-CD1 4.18Å; Y355-F358 PolarHBondContact O-N 2.93Å; F358-N360 VanDerWaalsContact C-N 3.29Å; F358-N360 PolarHBondContact O-N 3.25Å; F358-K362 HydrophobicContact CD2-CB 3.94Å; F358-K362 HydrophobicContact CE2-CB 3.79Å; F358-K362 HydrophobicContact CZ-CB 4.29Å; F358-K362 WeakPolarHBondContact O-CB 3.45Å; F358-K362 VanDerWaalsContact O-CG 3.25Å; F358-K362 WeakPolarHBondContact O-CG 3.37Å; F358-K362 PolarHBondContact O-N 3.3Å
359T89.1Confident87.2Confident54 Ų5452.4 Ų52.433%0.33126%0.256SS..Hα-helixtrans-65.5-31.7-177.8490000113.7Y355 N356 L357Y355-T359 HydrophobicContact CD1-CG2 3.97Å; Y355-T359 HydrophobicContact CE1-CG2 3.49Å; Y355-T359 VanDerWaalsContact CE1-CG2 3.49Å; Y355-T359 HydrophobicContact CE2-CG2 4.25Å; Y355-T359 WeakPolarHBondContact O-CG2 3.39Å; Y355-T359 PolarHBondContact O-N 3.05Å; Y355-T359 PolarHBondContact O-OG1 3.12Å; N356-T359 PolarHBondContact O-N 3.01Å; N356-T359 PolarHBondContact O-OG1 3.35Å; L357-T359 VanDerWaalsContact C-N 3.35Å; L357-T359 PolarHBondContact O-N 3.31Å
360N90.1Very high87.1Confident92 Ų9255.4 Ų55.449%0.49227%0.27SS..Hα-helixtrans-86.5-43.1179.4-66.2-72.1000111.7L332 N356 L357 F358L332-N360 HydrophobicContact CD2-CB 4.47Å; N356-N360 PolarHBondContact O-N 3.24Å; N356-N360 PolarHBondContact O-ND2 3.02Å; N356-N360 PolarHBondContact OD1-ND2 2.93Å; N356-N360 VanDerWaalsContact OD1-ND2 3.16Å; L357-N360 PolarHBondContact O-N 3.2Å; F358-N360 VanDerWaalsContact C-N 3.29Å; F358-N360 PolarHBondContact O-N 3.25Å
361Y91.8Very high86.8Confident16 Ų1659 Ų596%0.06329%0.288CS..Hα-helixtrans-107.72.5-169.1-59.1-82.5000116.3L296 E297 L332 L357 N363 S364L296-Y361 HydrophobicContact CB-CD1 3.96Å; L296-Y361 HydrophobicContact CB-CD2 4.3Å; L296-Y361 HydrophobicContact CB-CE1 4.02Å; L296-Y361 HydrophobicContact CB-CE2 4.35Å; L296-Y361 HydrophobicContact CB-CG 4.1Å; L296-Y361 HydrophobicContact CD1-CD2 3.75Å; L296-Y361 HydrophobicContact CD1-CE2 4.13Å; L296-Y361 HydrophobicContact CD1-CG 4.1Å; L296-Y361 HydrophobicContact CD2-CG 4.1Å; L296-Y361 HydrophobicContact CG-CD2 4.43Å; L296-Y361 HydrophobicContact CG-CG 4.32Å; E297-Y361 WeakPolarHBondContact OE1-CE1 3.46Å; E297-Y361 VanDerWaalsContact OE1-CZ 3.27Å; E297-Y361 PolarHBondContact OE1-OH 2.94Å; L332-Y361 HydrophobicContact CD1-CE2 3.76Å; L332-Y361 VanDerWaalsContact CD1-OH 3.29Å; L332-Y361 WeakPolarHBondContact CD1-OH 3.44Å; L332-Y361 HydrophobicContact CD2-CE2 3.91Å; L332-Y361 HydrophobicContact CG-CE2 4.47Å; L357-Y361 HydrophobicContact CB-CD2 4.47Å; L357-Y361 HydrophobicContact CD2-CD2 4.37Å; L357-Y361 HydrophobicContact CD2-CE2 4.1Å; L357-Y361 WeakPolarHBondContact O-CD2 3.49Å; L357-Y361 PolarHBondContact O-N 2.85Å; Y361-N363 PolarHBondContact O-N 3.42Å; Y361-S364 WeakPolarHBondContact O-CB 3.3Å; Y361-S364 PolarHBondContact O-N 2.73Å
362K85Confident86.5Confident112 Ų11263.2 Ų63.249%0.48731%0.308SS..THydrogen-bonded Turntrans-49.3-23.5176.453.3175.7-179.4179.60115.7F358F358-K362 HydrophobicContact CD2-CB 3.94Å; F358-K362 HydrophobicContact CE2-CB 3.79Å; F358-K362 HydrophobicContact CZ-CB 4.29Å; F358-K362 WeakPolarHBondContact O-CB 3.45Å; F358-K362 VanDerWaalsContact O-CG 3.25Å; F358-K362 WeakPolarHBondContact O-CG 3.37Å; F358-K362 PolarHBondContact O-N 3.3Å
363N82.3Confident86.4Confident138 Ų13864.2 Ų64.274%0.73832%0.317SS*.THydrogen-bonded Turntrans-98.2-8.9-179.6-66.2-2.6000113.4Y361Y361-N363 PolarHBondContact O-N 3.42Å
364S75.4Confident85.9Confident43 Ų4369.5 Ų69.530%0.30134%0.343SS..  trans-75.7141.4178.3-57.40000110.7K267 Y361K267-S364 PolarHBondContact NZ-O 2.66Å; Y361-S364 WeakPolarHBondContact O-CB 3.3Å; Y361-S364 PolarHBondContact O-N 2.73Å
365E59.3Low85.2Confident193 Ų19375.8 Ų75.890%0.90238%0.375SS*.  trans-83.30-170-61-162.5128.300115K267 K271K267-E365 VanDerWaalsContact CE-OXT 3.23Å; K267-E365 WeakPolarHBondContact CE-OXT 3.14Å; K267-E365 PolarHBondContact NZ-OXT 2.8Å; K271-E365 PolarHBondContact NZ-O 3Å; K271-E365 PolarHBondContact NZ-OXT 2.71Å

Retrieved 365 of 365 residues in 116.4 ms (Link to these results)