A0A096NQ98_PAPAN Loading...

Enkurin domain containing 1

AlphaFold DB , UniProt , Accession A0A096NQ98, Species PAPAN (Papio anubis, Olive baboon), Gene ENKD1, Length 346 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
1M50.8Low52.2Low236 Ų236141.6 Ų141.6100%1.16382%0.824SS**  086.80-69.3-81121.900107.9
2C38.7Very low53.2Low135 Ų135142.8 Ų142.891%0.91282%0.822SS**  trans-144.889.2168.3-73.10000106.4
3E56.5Low54.1Low202 Ų202138.6 Ų138.694%0.94480%0.803SS**  trans-85.3125.9168.9-65.7-163.6167.700108.9
4G50.3Low55.1Low60 Ų60132.4 Ų132.462%0.61977%0.769SS**  trans-134.6127.9168.100000108.6S6G4-S6 PolarHBondContact O-N 3.25Å
5P47.4Very low56Low122 Ų122129.2 Ų129.279%0.79275%0.748SS**  trans-74.2119-169.528.3-32.6000111.2R7P5-R7 PolarHBondContact O-N 3.3Å; P5-R7 VanDerWaalsContact O-N 3.15Å
6S45.6Very low56.6Low106 Ų106126.4 Ų126.474%0.74174%0.735SS**  trans-70.7101.5170.2-66.60000109.5G4 I8G4-S6 PolarHBondContact O-N 3.25Å; S6-I8 VanDerWaalsContact C-N 3.26Å; S6-I8 PolarHBondContact O-N 2.89Å
7R54.4Low57.3Low246 Ų246125.5 Ų125.593%0.92873%0.732SS**THydrogen-bonded Turntrans-80.157.8178.2-74.5178.9148.6-171.8-4113P5P5-R7 PolarHBondContact O-N 3.3Å; P5-R7 VanDerWaalsContact O-N 3.15Å
8I53.6Low57.7Low158 Ų158126.1 Ų126.181%0.8173%0.731SS**THydrogen-bonded Turntrans-118.61.5178.1-5.1172.6000114.5S6S6-I8 VanDerWaalsContact C-N 3.26Å; S6-I8 PolarHBondContact O-N 2.89Å
9S50.4Low57.7Low115 Ų115122.2 Ų122.280%0.80471%0.711SS**  trans-101.997171.7-169.10000109.5
10G60Low58.1Low51 Ų51120.4 Ų120.453%0.52670%0.703SS.*PPolyproline II helixtrans-70.3158.6157.700000109.6I12G10-I12 PolarHBondContact O-N 3.49Å
11P66.3Low58.4Low127 Ų127119.7 Ų119.783%0.82570%0.697SS**PPolyproline II helixtrans-54.213717823-32.2000110.5
12I64.9Low59.2Low156 Ų156117.6 Ų117.680%0.868%0.678SS**PPolyproline II helixtrans-53.8124.1174.5-61.5170.4000107G10G10-I12 PolarHBondContact O-N 3.49Å
13P64.4Low60.6Low88 Ų88116.6 Ų116.657%0.57166%0.656SS**PPolyproline II helixtrans-66141.4-176.530.5-36.4000109.4Y23P13-Y23 WeakPolarHBondContact CB-OH 3.46Å
14P68.1Low61Low51 Ų51115.8 Ų115.833%0.33164%0.644SS.*PPolyproline II helixtrans-63.6149.6-171.426.5-34.6000111.4C19 Y23P14-C19 HydrophobicContact CB-CB 4.42Å; P14-C19 HydrophobicContact CG-CB 4.22Å; P14-Y23 WeakPolarHBondContact O-CE2 3.28Å; P14-Y23 PolarHBondContact O-OH 2.95Å
15D68.4Low61.8Low85 Ų85122.4 Ų122.446%0.45565%0.65SS.*PPolyproline II helixtrans-52.1127.3179.3-169-38.6000110.6T17 L18 C19D15-T17 PolarHBondContact O-N 2.95Å; D15-T17 WeakPolarHBondContact OD1-CB 3.21Å; D15-T17 PolarHBondContact OD1-N 3.38Å; D15-T17 PolarHBondContact OD1-OG1 3.14Å; D15-L18 HydrophobicContact CB-CD1 4.11Å; D15-L18 HydrophobicContact CB-CG 4.21Å; D15-L18 PolarHBondContact O-N 3.31Å; D15-C19 PolarHBondContact O-N 2.91Å
16P65.6Low62.6Low84 Ų84120.6 Ų120.655%0.54564%0.638SS.*THydrogen-bonded Turntrans-60.3-16.7-177.824.8-36.2000113.8Y23P16-Y23 HydrophobicContact CB-CD2 4.18Å; P16-Y23 HydrophobicContact CB-CE2 4.12Å
17T69Low63.2Low111 Ų111119.6 Ų119.668%0.68164%0.637SS**THydrogen-bonded Turntrans-78.1-23.5174.9600000113.3D15D15-T17 PolarHBondContact O-N 2.95Å; D15-T17 WeakPolarHBondContact OD1-CB 3.21Å; D15-T17 PolarHBondContact OD1-N 3.38Å; D15-T17 PolarHBondContact OD1-OG1 3.14Å
18L64.4Low63.6Low136 Ų136113.2 Ų113.271%0.71263%0.63SS**THydrogen-bonded Turntrans-97.3-28.7-176.1-61.4177.5000112.9D15D15-L18 HydrophobicContact CB-CD1 4.11Å; D15-L18 HydrophobicContact CB-CG 4.21Å; D15-L18 PolarHBondContact O-N 3.31Å
19C57.8Low63.6Low53 Ų53108.4 Ų108.436%0.35861%0.614SS.*  trans-134.171.1-177.7-69.30000112.7P14 D15 D21 Y22P14-C19 HydrophobicContact CB-CB 4.42Å; P14-C19 HydrophobicContact CG-CB 4.22Å; D15-C19 PolarHBondContact O-N 2.91Å; C19-D21 VanDerWaalsContact C-N 3.27Å; C19-D21 PolarHBondContact O-N 2.99Å; C19-Y22 PolarHBondContact O-N 3.41Å
20P65.4Low63.8Low85 Ų85110.6 Ų110.655%0.55261%0.611SS**G310 helixtrans-63.8-28.6-174.922.7-32000113.9Y22 Y23 R24P20-Y22 VanDerWaalsContact C-N 3.32Å; P20-Y22 PolarHBondContact O-N 2.96Å; P20-Y23 PolarHBondContact O-N 3.41Å; P20-R24 PolarHBondContact O-N 2.93Å
21D64.9Low63.4Low107 Ų107111.8 Ų111.857%0.57262%0.623SS**G310 helixtrans-71.9-23.9-179.4-70.3-47.7000113.5C19 Y23 R24C19-D21 VanDerWaalsContact C-N 3.27Å; C19-D21 PolarHBondContact O-N 2.99Å; D21-Y23 PolarHBondContact O-N 3.43Å; D21-R24 WeakPolarHBondContact O-CB 3.42Å; D21-R24 PolarHBondContact O-N 3.06Å; D21-R24 IonicContact OD1-CZ 3.6Å; D21-R24 IonicContact OD1-NE 3.2Å; D21-R24 IonicContact OD1-NH1 3.08Å; D21-R24 PolarHBondContact OD1-NH1 2.96Å
22Y66.3Low62.8Low191 Ų191117.1 Ų117.175%0.74963%0.627SS**G310 helixtrans-70.3-22.8179.3-131.8-92.9000112.8C19 P20C19-Y22 PolarHBondContact O-N 3.41Å; P20-Y22 VanDerWaalsContact C-N 3.32Å; P20-Y22 PolarHBondContact O-N 2.96Å
23Y68.2Low61.9Low115 Ų115118 Ų11845%0.45163%0.632SS.*G310 helixtrans-105.42.3176.4-63.3-81.4000112.8P13 P14 P16 P20 D21 R25P13-Y23 WeakPolarHBondContact CB-OH 3.46Å; P14-Y23 WeakPolarHBondContact O-CE2 3.28Å; P14-Y23 PolarHBondContact O-OH 2.95Å; P16-Y23 HydrophobicContact CB-CD2 4.18Å; P16-Y23 HydrophobicContact CB-CE2 4.12Å; P20-Y23 PolarHBondContact O-N 3.41Å; D21-Y23 PolarHBondContact O-N 3.43Å; Y23-R25 PolarHBondContact O-N 3.21Å; Y23-R25 VanDerWaalsContact O-N 3.16Å
24R66.1Low61.2Low184 Ų184122.2 Ų122.269%0.69464%0.644SS**  trans-73109.9-179.4-164.8176-141.8165.5-0.6109.5P20 D21P20-R24 PolarHBondContact O-N 2.93Å; D21-R24 WeakPolarHBondContact O-CB 3.42Å; D21-R24 PolarHBondContact O-N 3.06Å; D21-R24 IonicContact OD1-CZ 3.6Å; D21-R24 IonicContact OD1-NE 3.2Å; D21-R24 IonicContact OD1-NH1 3.08Å; D21-R24 PolarHBondContact OD1-NH1 2.96Å
25R66Low60Low200 Ų200123.3 Ų123.376%0.75567%0.665SS**  trans-61.6126.6178.6-174.4175.8-71.4-170.3-0.7109.7Y23 A29Y23-R25 PolarHBondContact O-N 3.21Å; Y23-R25 VanDerWaalsContact O-N 3.16Å; R25-A29 HydrophobicContact CG-CB 4.05Å
26P64.6Low58.7Low84 Ų84127.2 Ų127.255%0.54569%0.686SS.*  trans-65.2141.6178.323.7-31.2000110.9S28 A29P26-S28 PolarHBondContact O-N 2.92Å; P26-A29 PolarHBondContact O-N 2.77Å
27A57.9Low57.5Low85 Ų85127.6 Ų127.670%0.70270%0.696SS**G310 helixtrans-58.1-20.2-175.800000114A29 Q30A27-A29 PolarHBondContact O-N 2.98Å; A27-Q30 PolarHBondContact O-N 3.28Å
28S62.8Low56.2Low112 Ų112130.3 Ų130.378%0.78371%0.706SS**G310 helixtrans-68.5-15.1175.255.90000114.4P26P26-S28 PolarHBondContact O-N 2.92Å
29A55Low55.1Low57 Ų57133 Ų13347%0.47171%0.712SS.*G310 helixtrans-95.33.9-179.800000114.1R25 P26 A27R25-A29 HydrophobicContact CG-CB 4.05Å; P26-A29 PolarHBondContact O-N 2.77Å; A27-A29 PolarHBondContact O-N 2.98Å
30Q54.7Low54.2Low161 Ų161137.6 Ų137.675%0.75273%0.732SS**  trans-86.1-4.8-175.2-155.7169-14.400114A27 R32A27-Q30 PolarHBondContact O-N 3.28Å; Q30-R32 PolarHBondContact O-N 3.49Å
31G50.9Low52.8Low76 Ų76140.9 Ų140.978%0.78475%0.745SS**THydrogen-bonded Turntrans-92.923-166.300000118.4
32R52.7Low51.4Low238 Ų238142.2 Ų142.290%0.89875%0.751SS**THydrogen-bonded Turntrans-133.810.4-175.8-138.7-174.7-178.1-169.50.9117.5Q30Q30-R32 PolarHBondContact O-N 3.49Å
33L47.3Very low50Low174 Ų174140 Ų14091%0.91175%0.752SS**SBendtrans-140.551.4173.7-80.5170.4000111.2
34E50.2Low48.3Very low178 Ų178140.7 Ų140.783%0.83277%0.768SS**SBendtrans-130130.5155.6-75.6-170.5165.700107.6
35G41.1Very low46.7Very low74 Ų74136.5 Ų136.576%0.76377%0.767SS**  trans-59.9147.7-174.500000112A37G35-A37 VanDerWaalsContact C-N 3.28Å; G35-A37 PolarHBondContact O-N 3.39Å
36N42.7Very low45.2Very low167 Ų167134.6 Ų134.689%0.89377%0.771SS**  trans-59.388169-71-39000110.3L38N36-L38 PolarHBondContact O-N 3.38Å
37A39.9Very low43.5Very low92 Ų92142 Ų14276%0.7679%0.788SS**  trans-84.497.6158.600000107G35 K39G35-A37 VanDerWaalsContact C-N 3.28Å; G35-A37 PolarHBondContact O-N 3.39Å; A37-K39 PolarHBondContact O-N 3.43Å
38L42.3Very low42.2Very low168 Ų168142.2 Ų142.288%0.8879%0.79SS**  trans-57.1102.2170.8-68.7165.4000109N36N36-L38 PolarHBondContact O-N 3.38Å
39K39.9Very low41.4Very low193 Ų193144.7 Ų144.784%0.83979%0.794SS**  trans-86.8106.8158.9-90.1-175.9174.6-179.20107.9A37A37-K39 PolarHBondContact O-N 3.43Å
40L39.6Very low40.3Very low148 Ų148149.8 Ų149.878%0.77581%0.813SS**  trans-71115.2162.2-143.190000106.3L42L40-L42 HydrophobicContact CD2-CD1 4.36Å
41D36.1Very low40Very low155 Ų155146.9 Ų146.983%0.82982%0.817SS**  trans-129.4124.2160.8-87-33.3000108.9
42L35.3Very low39.4Very low134 Ų134149.8 Ų149.870%0.70282%0.82SS**  trans-110.8130.6-174.3-120.4144.2000106.6L40L40-L42 HydrophobicContact CD2-CD1 4.36Å
43L37.6Very low39.2Very low146 Ų146142.8 Ų142.876%0.76481%0.813SS**  trans100.8134.4149.2-56174000120.9
44T30.9Very low38.9Very low128 Ų128140.8 Ų140.879%0.78581%0.81SS**  trans91.3124.9146.1-34.30000115.6
45S32.8Very low38.9Very low97 Ų97138 Ų13868%0.67881%0.809SS**  cis-165.7158.9-7.8-87.60000109.4
46D34.2Very low39.8Very low159 Ų159137.1 Ų137.185%0.8580%0.799SS**  trans20.1129.5152-74.8-34.5000121.4
47R30.2Very low40.6Very low239 Ų239134.8 Ų134.890%0.90279%0.794SS**  178.9129.9103.8-173.2157.5-179.4162.8-1113.7
48A30Very low41.7Very low90 Ų90142.1 Ų142.174%0.74480%0.802SS**  trans64.8129.4146.300000121.7
49L46Very low43Very low164 Ų164137.7 Ų137.786%0.85978%0.778SS**  trans-60.9141.5167.7-61.6162.1000111.2
50D32.5Very low44.3Very low165 Ų165130.3 Ų130.388%0.88276%0.756SS**  -163.4131.7127.7-92.2-27.5000111.1
51A48.1Very low45.7Very low100 Ų100129 Ų12983%0.82676%0.757SS**  trans-80.2124.8-175.200000111.5
52T38.6Very low47Very low137 Ų137123.7 Ų123.784%0.8474%0.738SS**  trans-140.5125.4156.423.40000109.3
53A47.2Very low48.7Very low91 Ų91119.6 Ų119.675%0.75272%0.724SS**  trans-61.7138.8175.800000110.2C55A53-C55 PolarHBondContact O-N 3.28Å; A53-C55 VanDerWaalsContact O-N 3.1Å
54P41Very low50.2Low132 Ų132120.6 Ų120.686%0.85772%0.718SS**  trans-71.3113.2179.927.7-30.7000109.3G56P54-G56 PolarHBondContact O-N 3.4Å
55C51.3Low51.9Low120 Ų120121.5 Ų121.581%0.81171%0.713SS**PPolyproline II helixtrans-55.7126.8164.9-75.90000109.3A53A53-C55 PolarHBondContact O-N 3.28Å; A53-C55 VanDerWaalsContact O-N 3.1Å
56G59.7Low53.6Low54 Ų54122.9 Ų122.956%0.55771%0.712SS**PPolyproline II helixtrans-58.1160172.900000112.4P54 R58P54-G56 PolarHBondContact O-N 3.4Å; G56-R58 PolarHBondContact O-N 2.99Å
57P59.2Low55.3Low119 Ų119119.5 Ų119.577%0.77369%0.693SS**PPolyproline II helixtrans-61.1131.5-173.224.6-32.9000111.2I59P57-I59 PolarHBondContact O-N 2.89Å; P57-I59 VanDerWaalsContact O-N 3.11Å
58R64.3Low57.1Low246 Ų246112.2 Ų112.293%0.92867%0.669SS**  trans-73.3101.9175.9-65.4-172.5-165.1-164.14.9109.4G56G56-R58 PolarHBondContact O-N 2.99Å
59I68.4Low59Low74 Ų74117.7 Ų117.738%0.37967%0.671SS.*  trans-82.1117.5177.2-58.3174.9000108.7P57 A63 R64 L67P57-I59 PolarHBondContact O-N 2.89Å; P57-I59 VanDerWaalsContact O-N 3.11Å; I59-A63 HydrophobicContact CG2-CB 3.47Å; I59-A63 VanDerWaalsContact CG2-CB 3.47Å; I59-R64 HydrophobicContact CB-CG 4.38Å; I59-R64 HydrophobicContact CG2-CG 3.73Å; I59-L67 HydrophobicContact CD1-CD2 4.31Å
60G67.9Low59.8Low38 Ų38112.9 Ų112.939%0.39266%0.661SS.*  trans-63.8161.117500000112.8G62 A63 R64G60-G62 VanDerWaalsContact C-N 3.35Å; G60-G62 PolarHBondContact O-N 3.34Å; G60-A63 PolarHBondContact O-N 3.4Å; G60-R64 PolarHBondContact O-N 3.27Å
61P67.6Low61.4Low122 Ų122114.2 Ų114.279%0.79265%0.653SS**Hα-helixtrans-56.2-41.9-170.317.7-29.2000113.7A63 R64P61-A63 PolarHBondContact O-N 2.87Å; P61-R64 PolarHBondContact O-N 3.26Å
62G64.6Low62.1Low42 Ų42116.1 Ų116.143%0.43364%0.639SS.*Hα-helixtrans-71.1-26.8176.700000114.6G60 R64 E65 I66G60-G62 VanDerWaalsContact C-N 3.35Å; G60-G62 PolarHBondContact O-N 3.34Å; G62-R64 VanDerWaalsContact C-N 3.31Å; G62-R64 PolarHBondContact O-N 3.47Å; G62-E65 PolarHBondContact O-N 3.2Å; G62-I66 PolarHBondContact O-N 2.72Å
63A69.8Low63.2Low48 Ų48111.3 Ų111.340%0.39762%0.617SS.*Hα-helixtrans-76.4-20.4178.700000112.6I59 G60 P61 L67I59-A63 HydrophobicContact CG2-CB 3.47Å; I59-A63 VanDerWaalsContact CG2-CB 3.47Å; G60-A63 PolarHBondContact O-N 3.4Å; P61-A63 PolarHBondContact O-N 2.87Å; A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 PolarHBondContact O-N 2.84Å; A63-L67 VanDerWaalsContact O-N 3.15Å
64R69.1Low63.8Low167 Ų167113.4 Ų113.463%0.6362%0.62SS**Hα-helixtrans-68-39.2171.1-65.9-175.1175.8-165.9-3.8111.6I59 G60 P61 G62 L67 E68I59-R64 HydrophobicContact CB-CG 4.38Å; I59-R64 HydrophobicContact CG2-CG 3.73Å; G60-R64 PolarHBondContact O-N 3.27Å; P61-R64 PolarHBondContact O-N 3.26Å; G62-R64 VanDerWaalsContact C-N 3.31Å; G62-R64 PolarHBondContact O-N 3.47Å; R64-L67 PolarHBondContact O-N 3.03Å; R64-E68 WeakPolarHBondContact O-CB 3.45Å; R64-E68 WeakPolarHBondContact O-CG 3.33Å; R64-E68 PolarHBondContact O-N 2.97Å
65E67.1Low64.6Low148 Ų148109.3 Ų109.369%0.69260%0.602SS**Hα-helixtrans-67.6-39-179.7-146.7172.8-159.600111.6G62 E68 R69G62-E65 PolarHBondContact O-N 3.2Å; E65-E68 PolarHBondContact O-N 3.23Å; E65-R69 VanDerWaalsContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CB 3.48Å; E65-R69 PolarHBondContact O-N 2.94Å
66I67.9Low64.7Low126 Ų126107.5 Ų107.565%0.64658%0.584SS**Hα-helixtrans-67.4-40.2175.2-61.2168.8000111.2G62 R69 G70G62-I66 PolarHBondContact O-N 2.72Å; I66-R69 PolarHBondContact O-N 3.01Å; I66-G70 PolarHBondContact O-N 2.97Å
67L70Confident64.6Low88 Ų88108.9 Ų108.946%0.46158%0.581SS.*Hα-helixtrans-64.7-43.7175.9-174.574.8000111.8I59 A63 R64 G70 R71I59-L67 HydrophobicContact CD1-CD2 4.31Å; A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 PolarHBondContact O-N 2.84Å; A63-L67 VanDerWaalsContact O-N 3.15Å; R64-L67 PolarHBondContact O-N 3.03Å; L67-G70 PolarHBondContact O-N 3.31Å; L67-R71 WeakPolarHBondContact O-CG 3.24Å; L67-R71 PolarHBondContact O-N 3.12Å
68E69.4Low64.5Low85 Ų85109 Ų10940%0.39758%0.575SS.*Hα-helixtrans-61.8-43.2175.2-81.1-77126.500111.3R64 E65 R71 R72R64-E68 WeakPolarHBondContact O-CB 3.45Å; R64-E68 WeakPolarHBondContact O-CG 3.33Å; R64-E68 PolarHBondContact O-N 2.97Å; E65-E68 PolarHBondContact O-N 3.23Å; E68-R71 PolarHBondContact O-N 3.36Å; E68-R72 PolarHBondContact O-N 3.45Å; E68-R72 IonicContact OE2-CZ 3.81Å; E68-R72 IonicContact OE2-NH1 3.07Å; E68-R72 PolarHBondContact OE2-NH1 2.94Å; E68-R72 IonicContact OE2-NH2 2.8Å; E68-R72 PolarHBondContact OE2-NH2 3.3Å
69R68.4Low64.1Low206 Ų206100.9 Ų100.978%0.77755%0.55SS*.Hα-helixtrans-66.5-37.4177.5-160.6174.6-174.6-175.92112.3E65 I66 R72 G73E65-R69 VanDerWaalsContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CB 3.48Å; E65-R69 PolarHBondContact O-N 2.94Å; I66-R69 PolarHBondContact O-N 3.01Å; R69-R72 PolarHBondContact O-N 3.45Å; R69-G73 PolarHBondContact O-N 2.99Å
70G64.4Low63.6Low63 Ų63104.7 Ų104.765%0.64957%0.566SS**Hα-helixtrans-68.8-30.7174.200000113.6I66 L67I66-G70 PolarHBondContact O-N 2.97Å; L67-G70 PolarHBondContact O-N 3.31Å
71R65.5Low63Low193 Ų193109.8 Ų109.873%0.72858%0.583SS**Hα-helixtrans-72.6-32.7175.6-79.9177.3174-119.80.8113.4L67 E68L67-R71 WeakPolarHBondContact O-CG 3.24Å; L67-R71 PolarHBondContact O-N 3.12Å; E68-R71 PolarHBondContact O-N 3.36Å
72R63.1Low62.4Low139 Ų139111 Ų11153%0.52558%0.578SS.*Hα-helixtrans-81.5-17.1-179.9-71.7-164.7-103.1-73.10.7114.1E68 R69 D76E68-R72 PolarHBondContact O-N 3.45Å; E68-R72 IonicContact OE2-CZ 3.81Å; E68-R72 IonicContact OE2-NH1 3.07Å; E68-R72 PolarHBondContact OE2-NH1 2.94Å; E68-R72 IonicContact OE2-NH2 2.8Å; E68-R72 PolarHBondContact OE2-NH2 3.3Å; R69-R72 PolarHBondContact O-N 3.45Å; R72-D76 WeakPolarHBondContact O-CB 3.47Å
73G60.8Low61.9Low36 Ų36112.1 Ų112.137%0.37159%0.59SS.*Hα-helixtrans66.4150.8175.200000113.3R69 G75 D76R69-G73 PolarHBondContact O-N 2.99Å; G73-G75 PolarHBondContact O-N 2.81Å; G73-D76 PolarHBondContact O-N 3.02Å
74V60.6Low60.9Low136 Ų136114.3 Ų114.382%0.82459%0.594SS**Hα-helixtrans-66.3-21.7-174-179.30000112.8
75G57Low60Low46 Ų46111.9 Ų111.947%0.47460%0.603SS.*Hα-helixtrans-70.4-29.7179.200000114.6G73 L78 L79G73-G75 PolarHBondContact O-N 2.81Å; G75-L78 PolarHBondContact O-N 3.33Å; G75-L79 WeakPolarHBondContact O-CD1 3.34Å; G75-L79 WeakPolarHBondContact O-CG 3.4Å; G75-L79 PolarHBondContact O-N 3.11Å
76D53.1Low59.1Low82 Ų82112.2 Ų112.244%0.43961%0.608SS.*Hα-helixtrans-73.6-32.7-175.4-154.336.2000111.6R72 G73 Q80R72-D76 WeakPolarHBondContact O-CB 3.47Å; G73-D76 PolarHBondContact O-N 3.02Å; D76-Q80 PolarHBondContact O-N 3.25Å
77V58.2Low57.8Low83 Ų83109 Ų10950%0.50361%0.607SS.*Hα-helixtrans-72.1-33.7175.8179.30000111.9L81V77-L81 PolarHBondContact O-N 3.24Å
78L57.2Low57Low122 Ų122111.9 Ų111.964%0.63963%0.63SS**Hα-helixtrans-71.3-39.1179.5-153.978.2000111.5G75 Q80 L81 E82G75-L78 PolarHBondContact O-N 3.33Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.24Å; L78-L81 PolarHBondContact O-N 3.48Å; L78-E82 PolarHBondContact O-N 3.12Å
79L56Low55.9Low75 Ų75111.3 Ų111.339%0.39365%0.647SS.*Hα-helixtrans-68.9-28.2176.9-70.9164.7000112.9G75 E82 G83 I84G75-L79 WeakPolarHBondContact O-CD1 3.34Å; G75-L79 WeakPolarHBondContact O-CG 3.4Å; G75-L79 PolarHBondContact O-N 3.11Å; L79-E82 PolarHBondContact O-N 3.02Å; L79-G83 PolarHBondContact O-N 3.33Å; L79-I84 PolarHBondContact O-N 3.22Å
80Q57.8Low55Low153 Ų153106 Ų10672%0.71565%0.647SS**Hα-helixtrans-74.8-26.7177.4-151.2157.348.500112.6D76 L78D76-Q80 PolarHBondContact O-N 3.25Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.24Å
81L55.9Low54.3Low145 Ų145107.8 Ų107.876%0.75965%0.65SS**Hα-helixtrans-77.5-24.2173.6-79.9154.5000113V77 L78V77-L81 PolarHBondContact O-N 3.24Å; L78-L81 PolarHBondContact O-N 3.48Å
82E54.8Low53.7Low148 Ų148106.5 Ų106.569%0.69266%0.657SS**THydrogen-bonded Turntrans-88.64173.2-86.8-178.5156.300113.9L78 L79 I84L78-E82 PolarHBondContact O-N 3.12Å; L79-E82 PolarHBondContact O-N 3.02Å; E82-I84 PolarHBondContact O-N 3.42Å
83G53.4Low53.4Low66 Ų66108.6 Ų108.668%0.6867%0.67SS**THydrogen-bonded Turntrans76.215.6172.900000115.7L79 S85L79-G83 PolarHBondContact O-N 3.33Å; G83-S85 PolarHBondContact O-N 2.93Å
84I49.5Very low53.2Low94 Ų94118.2 Ų118.248%0.48270%0.695SS.*  trans-94.992-179.5-49.4175000109.2L79 E82 L86L79-I84 PolarHBondContact O-N 3.22Å; E82-I84 PolarHBondContact O-N 3.42Å; I84-L86 PolarHBondContact O-N 3.33Å
85S50Low53.4Low116 Ų116121.2 Ų121.281%0.81170%0.697SS**  trans-79.4105.117269.90000110.4G83G83-S85 PolarHBondContact O-N 2.93Å
86L47.1Very low54.1Low154 Ų154125.9 Ų125.981%0.80671%0.711SS**  trans-84.1111.7163.1-67.8173.7000108.3I84I84-L86 PolarHBondContact O-N 3.33Å
87G42.6Very low55Low60 Ų60127.8 Ų127.862%0.61973%0.728SS**  trans-60.6154.9178.300000113.1G89G87-G89 PolarHBondContact O-N 3.33Å
88P51.4Low56.1Low147 Ų147129.8 Ų129.896%0.95573%0.73SS**SBendtrans-75.793.8-17730.2-31.5000109.8
89G47.8Very low57.4Low73 Ų73128.4 Ų128.475%0.75372%0.723SS**  trans-162.933-170.800000117.2G87G87-G89 PolarHBondContact O-N 3.33Å
90A48.4Very low58.8Low94 Ų94130.5 Ų130.578%0.77773%0.73SS**  trans-164.296.7159.200000110.6L92A90-L92 PolarHBondContact O-N 3.4Å; A90-L92 VanDerWaalsContact O-N 3.08Å
91S51.1Low60.3Low101 Ų101130.8 Ų130.871%0.70673%0.732SS**  trans-62.2113.9163.561.20000107.9K93S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.92Å
92L52.3Low62Low167 Ų167129.9 Ų129.987%0.87472%0.721SS**  trans-54.7103.3161.1-72.9168.9000106.2A90 R94A90-L92 PolarHBondContact O-N 3.4Å; A90-L92 VanDerWaalsContact O-N 3.08Å; L92-R94 PolarHBondContact O-N 2.92Å
93K56Low63.8Low183 Ų183126.4 Ų126.480%0.79671%0.705SS**  trans-53.5105.3174.6-72-87.8-177.3176.50105.8S91 K95S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.92Å; K93-K95 PolarHBondContact O-N 3.07Å
94R56.6Low65.7Low238 Ų238127.3 Ų127.390%0.89869%0.694SS**  trans-54.1108.9165.7-71.7179.6172.5178.1-3.2104.5L92 D96L92-R94 PolarHBondContact O-N 2.92Å; R94-D96 PolarHBondContact O-N 2.95Å
95K64.9Low67.9Low199 Ų199127.5 Ų127.587%0.86570%0.696SS**PPolyproline II helixtrans-59.5126.6170.6-70.8178.7179.4177.90105.1K93K93-K95 PolarHBondContact O-N 3.07Å
96D71.4Confident70Confident144 Ų144130.9 Ų130.977%0.7769%0.691SS**PPolyproline II helixtrans-50.9145177.8-63.2-52.8000109.6R94 K98R94-D96 PolarHBondContact O-N 2.95Å; D96-K98 PolarHBondContact O-N 3.01Å; D96-K98 VanDerWaalsContact O-N 3.07Å
97P73.7Confident72.3Confident121 Ų121131.4 Ų131.479%0.78668%0.682SS**PPolyproline II helixtrans-50.1121-179.8-23.331.6000109.7D99P97-D99 PolarHBondContact O-N 3.33Å
98K80.4Confident74.7Confident126 Ų126132.7 Ų132.755%0.54867%0.674SS.*PPolyproline II helixtrans-73.9123.3-173.4-165.4165.1-178.5-159.40109.4D96 H100 E103D96-K98 PolarHBondContact O-N 3.01Å; D96-K98 VanDerWaalsContact O-N 3.07Å; K98-H100 VanDerWaalsContact C-N 3.29Å; K98-H100 PolarHBondContact O-CD2 3.27Å; K98-H100 PolarHBondContact O-N 2.88Å; K98-E103 WeakPolarHBondContact CE-OE1 3.48Å; K98-E103 WeakPolarHBondContact CE-OE2 3.2Å; K98-E103 IonicContact NZ-OE1 3.17Å; K98-E103 PolarHBondContact NZ-OE1 3.03Å; K98-E103 IonicContact NZ-OE2 2.83Å; K98-E103 PolarHBondContact NZ-OE2 3.39Å
99D83.5Confident76.8Confident92 Ų92134.1 Ų134.149%0.49266%0.661SS.*  trans-66.484.6175.5-75.7-11000110.8P97 E101 K102 E103P97-D99 PolarHBondContact O-N 3.33Å; D99-E101 PolarHBondContact O-N 2.99Å; D99-K102 HydrophobicContact CB-CB 4.18Å; D99-K102 HydrophobicContact CB-CD 4.14Å; D99-K102 HydrophobicContact CB-CG 4.3Å; D99-K102 PolarHBondContact O-N 2.69Å; D99-K102 IonicContact OD2-NZ 3.62Å; D99-K102 PolarHBondContact OD2-NZ 3.29Å; D99-E103 PolarHBondContact O-N 3.32Å; D99-E103 VanDerWaalsContact O-N 3.12Å
100H87Confident79.1Confident119 Ų119135.2 Ų135.255%0.55165%0.646SS**Hα-helixtrans-62.2-28.2-178.6-68.8-63.5000112.6K98 E103 N104K98-H100 VanDerWaalsContact C-N 3.29Å; K98-H100 PolarHBondContact O-CD2 3.27Å; K98-H100 PolarHBondContact O-N 2.88Å; H100-E103 IonicContact ND1-OE2 2.79Å; H100-E103 PolarHBondContact O-N 3.35Å; H100-N104 WeakPolarHBondContact O-CB 3.48Å; H100-N104 PolarHBondContact O-N 2.81Å; H100-N104 PolarHBondContact O-ND2 3Å; H100-N104 VanDerWaalsContact O-ND2 3.16Å
101E89Confident81.2Confident160 Ų160134.6 Ų134.675%0.74863%0.629SS**Hα-helixtrans-63.9-46.1175.6-65.4-175.4171.100112.1D99 N104 L105D99-E101 PolarHBondContact O-N 2.99Å; E101-N104 PolarHBondContact O-N 2.95Å; E101-L105 WeakPolarHBondContact O-CB 3.39Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 3.21Å
102K92Very high83.3Confident125 Ų125134.8 Ų134.854%0.54362%0.618SS.*Hα-helixtrans-67.4-38.1176.9-70.9178.8-172.2149.60111.4D99 R106D99-K102 HydrophobicContact CB-CB 4.18Å; D99-K102 HydrophobicContact CB-CD 4.14Å; D99-K102 HydrophobicContact CB-CG 4.3Å; D99-K102 PolarHBondContact O-N 2.69Å; D99-K102 IonicContact OD2-NZ 3.62Å; D99-K102 PolarHBondContact OD2-NZ 3.29Å; K102-R106 WeakPolarHBondContact O-CB 3.49Å; K102-R106 VanDerWaalsContact O-CG 3.28Å; K102-R106 WeakPolarHBondContact O-CG 3.39Å; K102-R106 PolarHBondContact O-N 3.11Å
103E91.4Very high85.3Confident76 Ų76133.8 Ų133.836%0.35561%0.607SS.*Hα-helixtrans-65.6-43.4175.8-175.4167.8-150.200111.7K98 D99 H100 R106 R107K98-E103 WeakPolarHBondContact CE-OE1 3.48Å; K98-E103 WeakPolarHBondContact CE-OE2 3.2Å; K98-E103 IonicContact NZ-OE1 3.17Å; K98-E103 PolarHBondContact NZ-OE1 3.03Å; K98-E103 IonicContact NZ-OE2 2.83Å; K98-E103 PolarHBondContact NZ-OE2 3.39Å; D99-E103 PolarHBondContact O-N 3.32Å; D99-E103 VanDerWaalsContact O-N 3.12Å; H100-E103 IonicContact ND1-OE2 2.79Å; H100-E103 PolarHBondContact O-N 3.35Å; E103-R106 PolarHBondContact O-N 3.45Å; E103-R107 VanDerWaalsContact O-CB 3.32Å; E103-R107 WeakPolarHBondContact O-CB 3.39Å; E103-R107 PolarHBondContact O-N 3.44Å
104N92.8Very high87.2Confident84 Ų84132.6 Ų132.645%0.44960%0.597SS.*Hα-helixtrans-63.1-43.1176.3-72.3-20.3000111.4H100 E101 R107 I108H100-N104 WeakPolarHBondContact O-CB 3.48Å; H100-N104 PolarHBondContact O-N 2.81Å; H100-N104 PolarHBondContact O-ND2 3Å; H100-N104 VanDerWaalsContact O-ND2 3.16Å; E101-N104 PolarHBondContact O-N 2.95Å; N104-R107 PolarHBondContact O-N 3.48Å; N104-I108 WeakPolarHBondContact O-CB 3.37Å; N104-I108 VanDerWaalsContact O-CG1 3.27Å; N104-I108 WeakPolarHBondContact O-CG1 3.19Å; N104-I108 PolarHBondContact O-N 3.41Å
105L96.1Very high88.7Confident99 Ų99126.8 Ų126.852%0.51858%0.579SS.*Hα-helixtrans-62.8-41.9175.3-73.5172.5000112.2E101 I108 R109E101-L105 WeakPolarHBondContact O-CB 3.39Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 3.21Å; L105-I108 PolarHBondContact O-N 3.34Å; L105-R109 WeakPolarHBondContact O-CG 3.35Å; L105-R109 PolarHBondContact O-N 3.38Å
106R93.9Very high89.9Confident187 Ų187125.3 Ų125.371%0.70657%0.568SS**Hα-helixtrans-62-45.8174.1-74.7175.2-178.4-166.90.9111K102 E103 I108 R109 E110K102-R106 WeakPolarHBondContact O-CB 3.49Å; K102-R106 VanDerWaalsContact O-CG 3.28Å; K102-R106 WeakPolarHBondContact O-CG 3.39Å; K102-R106 PolarHBondContact O-N 3.11Å; E103-R106 PolarHBondContact O-N 3.45Å; R106-I108 PolarHBondContact O-N 3.15Å; R106-R109 PolarHBondContact O-N 3.31Å; R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 3.41Å
107R95.2Very high90.7Very high165 Ų165124.2 Ų124.262%0.62356%0.558SS**Hα-helixtrans-61.6-44178.3-172.6175.9-177.6172.71.2112.2E103 N104 E110 I111E103-R107 VanDerWaalsContact O-CB 3.32Å; E103-R107 WeakPolarHBondContact O-CB 3.39Å; E103-R107 PolarHBondContact O-N 3.44Å; N104-R107 PolarHBondContact O-N 3.48Å; R107-E110 PolarHBondContact O-N 2.99Å; R107-I111 HydrophobicContact CG-CD1 4.08Å; R107-I111 VanDerWaalsContact O-CG1 3.26Å; R107-I111 WeakPolarHBondContact O-CG1 3.31Å; R107-I111 PolarHBondContact O-N 3.48Å
108I93.8Very high91.1Very high87 Ų87122.6 Ų122.645%0.44654%0.54SS..Hα-helixtrans-62.6-45.8176.7-70.4167.5000110.6N104 L105 R106 E110 I111 Q112N104-I108 WeakPolarHBondContact O-CB 3.37Å; N104-I108 VanDerWaalsContact O-CG1 3.27Å; N104-I108 WeakPolarHBondContact O-CG1 3.19Å; N104-I108 PolarHBondContact O-N 3.41Å; L105-I108 PolarHBondContact O-N 3.34Å; R106-I108 PolarHBondContact O-N 3.15Å; I108-E110 VanDerWaalsContact C-N 3.29Å; I108-E110 PolarHBondContact O-N 2.95Å; I108-I111 PolarHBondContact O-N 2.69Å; I108-Q112 HydrophobicContact CG2-CG 4.49Å; I108-Q112 WeakPolarHBondContact O-CG 3.5Å; I108-Q112 PolarHBondContact O-N 3.37Å
109R95.9Very high90.9Very high177 Ų177121.7 Ų121.767%0.66854%0.538SS*.Hα-helixtrans-61.6-38.7176.8-73.8178.3-176.3179.42.1112L105 R106 Q112 K113L105-R109 WeakPolarHBondContact O-CG 3.35Å; L105-R109 PolarHBondContact O-N 3.38Å; R106-R109 PolarHBondContact O-N 3.31Å; R109-Q112 PolarHBondContact O-N 3.48Å; R109-K113 WeakPolarHBondContact O-CB 3.23Å; R109-K113 PolarHBondContact O-N 3.38Å
110E95.9Very high90.8Very high96 Ų96125.3 Ų125.345%0.44955%0.545SS..Hα-helixtrans-68-42.5178-157.2-176.8162.400111.8R106 R107 I108 K113 R114R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 3.41Å; R107-E110 PolarHBondContact O-N 2.99Å; I108-E110 VanDerWaalsContact C-N 3.29Å; I108-E110 PolarHBondContact O-N 2.95Å; E110-K113 PolarHBondContact O-N 2.93Å; E110-R114 WeakPolarHBondContact O-CB 3.49Å; E110-R114 WeakPolarHBondContact O-CG 3.41Å; E110-R114 PolarHBondContact O-N 3.46Å; E110-R114 IonicContact OE1-CZ 3.84Å; E110-R114 IonicContact OE1-NE 2.99Å; E110-R114 IonicContact OE1-NH2 3.27Å; E110-R114 PolarHBondContact OE1-NH2 3.34Å
111I93Very high90Very high81 Ų81123.1 Ų123.142%0.41554%0.543SS..Hα-helixtrans-59.7-47.7173.5-69.6165.4000110.4R107 I108 K113 R114 F115R107-I111 HydrophobicContact CG-CD1 4.08Å; R107-I111 VanDerWaalsContact O-CG1 3.26Å; R107-I111 WeakPolarHBondContact O-CG1 3.31Å; R107-I111 PolarHBondContact O-N 3.48Å; I108-I111 PolarHBondContact O-N 2.69Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.16Å; I111-R114 PolarHBondContact O-N 3.49Å; I111-F115 HydrophobicContact CG2-CD2 3.82Å; I111-F115 HydrophobicContact CG2-CE2 4.04Å; I111-F115 WeakPolarHBondContact O-CD2 3.37Å; I111-F115 PolarHBondContact O-N 3.01Å
112Q93.6Very high89.1Confident104 Ų104121.5 Ų121.549%0.48653%0.53SS..Hα-helixtrans-61.4-40.6177.8-72.7176.4-10.100112I108 R109 F115 R116I108-Q112 HydrophobicContact CG2-CG 4.49Å; I108-Q112 WeakPolarHBondContact O-CG 3.5Å; I108-Q112 PolarHBondContact O-N 3.37Å; R109-Q112 PolarHBondContact O-N 3.48Å; Q112-F115 PolarHBondContact O-N 2.96Å; Q112-R116 WeakPolarHBondContact O-CG 3.45Å; Q112-R116 PolarHBondContact O-N 3.47Å
113K95.8Very high87.9Confident146 Ų146122.7 Ų122.764%0.63554%0.537SS*.Hα-helixtrans-62.8-48.1175.5-173.3-177.7176.6-172.90111.2R109 E110 I111 F115 R116 E117R109-K113 WeakPolarHBondContact O-CB 3.23Å; R109-K113 PolarHBondContact O-N 3.38Å; E110-K113 PolarHBondContact O-N 2.93Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.16Å; K113-F115 VanDerWaalsContact C-N 3.34Å; K113-F115 PolarHBondContact O-N 2.96Å; K113-R116 PolarHBondContact O-N 3.31Å; K113-E117 WeakPolarHBondContact O-CB 3.49Å; K113-E117 PolarHBondContact O-N 2.85Å
114R94.3Very high86.5Confident158 Ų158127.1 Ų127.160%0.59656%0.558SS**Hα-helixtrans-60.9-40.7178.1-73.2-177.2-170.5-157.34.8112.1E110 I111 E117 Q118E110-R114 WeakPolarHBondContact O-CB 3.49Å; E110-R114 WeakPolarHBondContact O-CG 3.41Å; E110-R114 PolarHBondContact O-N 3.46Å; E110-R114 IonicContact OE1-CZ 3.84Å; E110-R114 IonicContact OE1-NE 2.99Å; E110-R114 IonicContact OE1-NH2 3.27Å; E110-R114 PolarHBondContact OE1-NH2 3.34Å; I111-R114 PolarHBondContact O-N 3.49Å; R114-E117 PolarHBondContact O-N 3.26Å; R114-Q118 WeakPolarHBondContact O-CB 3.41Å; R114-Q118 PolarHBondContact O-N 2.92Å
115F89.6Confident85.1Confident116 Ų116124.9 Ų124.951%0.50955%0.554SS.*Hα-helixtrans-63.4-45.9175.5-97.6-78.6000112I111 Q112 K113 E117 Q118 E119I111-F115 HydrophobicContact CG2-CD2 3.82Å; I111-F115 HydrophobicContact CG2-CE2 4.04Å; I111-F115 WeakPolarHBondContact O-CD2 3.37Å; I111-F115 PolarHBondContact O-N 3.01Å; Q112-F115 PolarHBondContact O-N 2.96Å; K113-F115 VanDerWaalsContact C-N 3.34Å; K113-F115 PolarHBondContact O-N 2.96Å; F115-E117 VanDerWaalsContact C-N 3.32Å; F115-E117 PolarHBondContact O-N 3.44Å; F115-Q118 PolarHBondContact O-N 3.26Å; F115-E119 WeakPolarHBondContact O-CG 3.44Å; F115-E119 PolarHBondContact O-N 3.02Å
116R89.1Confident83.2Confident168 Ų168128.7 Ų128.763%0.63457%0.569SS**Hα-helixtrans-61.4-40.6176.3-71.4174.4-177.4-177.31.2112.3Q112 K113 R120Q112-R116 WeakPolarHBondContact O-CG 3.45Å; Q112-R116 PolarHBondContact O-N 3.47Å; K113-R116 PolarHBondContact O-N 3.31Å; R116-R120 VanDerWaalsContact O-CG 3.28Å; R116-R120 WeakPolarHBondContact O-CG 3.46Å; R116-R120 PolarHBondContact O-N 3.44Å
117E87.9Confident81.4Confident122 Ų122126 Ų12657%0.5758%0.576SS**Hα-helixtrans-68-39.7176.9-171.6167.2-157.700111.7K113 R114 F115 R120 S121K113-E117 WeakPolarHBondContact O-CB 3.49Å; K113-E117 PolarHBondContact O-N 2.85Å; R114-E117 PolarHBondContact O-N 3.26Å; F115-E117 VanDerWaalsContact C-N 3.32Å; F115-E117 PolarHBondContact O-N 3.44Å; E117-R120 PolarHBondContact O-N 2.78Å; E117-S121 WeakPolarHBondContact O-CB 3.42Å; E117-S121 PolarHBondContact O-N 2.98Å; E117-S121 PolarHBondContact O-OG 3.28Å
118Q81.9Confident79.6Confident86 Ų86128.7 Ų128.740%0.40259%0.586SS.*Hα-helixtrans-66.6-40175.6-166.3172.444.700111.6R114 F115 S121 R122R114-Q118 WeakPolarHBondContact O-CB 3.41Å; R114-Q118 PolarHBondContact O-N 2.92Å; F115-Q118 PolarHBondContact O-N 3.26Å; Q118-S121 WeakPolarHBondContact CA-OG 3.48Å; Q118-S121 PolarHBondContact O-N 2.89Å; Q118-S121 PolarHBondContact O-OG 3.16Å; Q118-R122 WeakPolarHBondContact O-CB 3.37Å; Q118-R122 WeakPolarHBondContact O-CG 3.36Å; Q118-R122 PolarHBondContact O-N 3Å
119E78.1Confident78.1Confident107 Ų107129.7 Ų129.750%0.560%0.598SS.*Hα-helixtrans-64.6-44.5172.3-72.8-160.8142.200111.9F115 S121 R122 E123F115-E119 WeakPolarHBondContact O-CG 3.44Å; F115-E119 PolarHBondContact O-N 3.02Å; E119-S121 VanDerWaalsContact C-N 3.33Å; E119-S121 PolarHBondContact O-N 2.87Å; E119-R122 CarbonylContact O-C 3.59Å; E119-R122 WeakPolarHBondContact O-CA 3.49Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 3.01Å; E119-E123 WeakPolarHBondContact O-CG 3.21Å; E119-E123 PolarHBondContact O-N 3.36Å
120R79.8Confident76.5Confident169 Ų169128.7 Ų128.764%0.63861%0.606SS**Hα-helixtrans-57.9-44.1172.4-72.9172.7-178-170.9-1.8111.9R116 E117 R122 E123 H124R116-R120 VanDerWaalsContact O-CG 3.28Å; R116-R120 WeakPolarHBondContact O-CG 3.46Å; R116-R120 PolarHBondContact O-N 3.44Å; E117-R120 PolarHBondContact O-N 2.78Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.15Å; R120-E123 PolarHBondContact O-N 3Å; R120-H124 PolarHBondContact O-N 2.91Å; R120-H124 PolarHBondContact O-ND1 3.04Å
121S71.7Confident75Confident73 Ų73132.7 Ų132.751%0.5162%0.621SS.*Hα-helixtrans-66.4-29.2176.270.70000113.2E117 Q118 E119 G125E117-S121 WeakPolarHBondContact O-CB 3.42Å; E117-S121 PolarHBondContact O-N 2.98Å; E117-S121 PolarHBondContact O-OG 3.28Å; Q118-S121 WeakPolarHBondContact CA-OG 3.48Å; Q118-S121 PolarHBondContact O-N 2.89Å; Q118-S121 PolarHBondContact O-OG 3.16Å; E119-S121 VanDerWaalsContact C-N 3.33Å; E119-S121 PolarHBondContact O-N 2.87Å; S121-G125 PolarHBondContact O-N 3.39Å; S121-G125 VanDerWaalsContact O-N 3.14Å
122R68.2Low73.5Confident126 Ų126133.3 Ų133.348%0.47564%0.639SS.*Hα-helixtrans-74.8-37.1175.3-76.2167.8-178.7-176.15.3111.2Q118 E119 R120 G125Q118-R122 WeakPolarHBondContact O-CB 3.37Å; Q118-R122 WeakPolarHBondContact O-CG 3.36Å; Q118-R122 PolarHBondContact O-N 3Å; E119-R122 CarbonylContact O-C 3.59Å; E119-R122 WeakPolarHBondContact O-CA 3.49Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 3.01Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.15Å; R122-G125 PolarHBondContact O-N 3.28Å; R122-G125 VanDerWaalsContact O-O 3.09Å
123E67.1Low72.3Confident150 Ų150135.5 Ų135.570%0.70165%0.653SS**Hα-helixtrans-67.9-34.3174.1-71.6171.9175.100112.2E119 R120 G125E119-E123 WeakPolarHBondContact O-CG 3.21Å; E119-E123 PolarHBondContact O-N 3.36Å; R120-E123 PolarHBondContact O-N 3Å; E123-G125 VanDerWaalsContact C-N 3.33Å
124H62.1Low70.7Confident169 Ų169139.6 Ų139.678%0.78266%0.664SS**SBendtrans-81.4-11.1174.1-68.971.5000113.3R120R120-H124 PolarHBondContact O-N 2.91Å; R120-H124 PolarHBondContact O-ND1 3.04Å
125G63.7Low69.6Low36 Ų36141 Ų14137%0.37167%0.67SS.*SBendtrans-95.1151.6175.900000112S121 R122 E123S121-G125 PolarHBondContact O-N 3.39Å; S121-G125 VanDerWaalsContact O-N 3.14Å; R122-G125 PolarHBondContact O-N 3.28Å; R122-G125 VanDerWaalsContact O-O 3.09Å; E123-G125 VanDerWaalsContact C-N 3.33Å
126Q56.2Low69Low179 Ų179137.3 Ų137.384%0.83666%0.658SS**  trans-58.3144.6172.2-74.3-159.6-8.500111.2R128Q126-R128 PolarHBondContact O-N 3.35Å
127P57.4Low68.5Low130 Ų130134.4 Ų134.484%0.84466%0.661SS**  trans-64.296.4-176.326.3-34000110.4
128R57Low68.2Low222 Ų222136.2 Ų136.284%0.83867%0.667SS**  trans-86.4123.3170-77-175.5176.8-173.4-0.2108.6Q126 L130Q126-R128 PolarHBondContact O-N 3.35Å; R128-L130 PolarHBondContact O-N 2.9Å
129P61.8Low67.8Low109 Ų109138 Ų13871%0.70867%0.671SS**  trans-62.2129.4175.625.1-31.9000109.4K131P129-K131 PolarHBondContact O-N 3.5Å
130L61.9Low67.9Low156 Ų156138 Ų13882%0.81767%0.674SS**SBendtrans-62.2-13-174-69.6166.1000113.9R128R128-L130 PolarHBondContact O-N 2.9Å
131K64.9Low68Low180 Ų180139.4 Ų139.478%0.78369%0.685SS**SBendtrans-137.5107.8173.5-74.8176.8174177.20109.1P129 L133P129-K131 PolarHBondContact O-N 3.5Å; K131-L133 PolarHBondContact O-N 3.45Å
132A61.7Low68.5Low94 Ų94140.4 Ų140.478%0.77769%0.688SS**  trans-72.7107.8164.600000107.5W134A132-W134 PolarHBondContact O-N 3.19Å
133L67.4Low69Low149 Ų149140.5 Ų140.578%0.7869%0.694SS**  trans-58.5128.3162-92.975.1000106.8K131 R135K131-L133 PolarHBondContact O-N 3.45Å; L133-R135 PolarHBondContact O-N 3.41Å; L133-R135 VanDerWaalsContact O-N 3.1Å
134W63.2Low69.6Low232 Ų232136.3 Ų136.388%0.87968%0.681SS**  trans-51.8120.6175.8169.352.3000109.4A132A132-W134 PolarHBondContact O-N 3.19Å
135R71.9Confident70.4Confident189 Ų189138.8 Ų138.871%0.71368%0.684SS**  trans-107.4133.5170.2-66.2-158.1176.5-139.30.3107.9L133L133-R135 PolarHBondContact O-N 3.41Å; L133-R135 VanDerWaalsContact O-N 3.1Å
136S75.6Confident70.8Confident37 Ų37141.1 Ų141.126%0.25969%0.691SS.*  trans-79.2144.517566.10000109.8K138 Y139S136-K138 PolarHBondContact O-N 3.41Å; S136-Y139 PolarHBondContact O-N 3.42Å; S136-Y139 VanDerWaalsContact OG-CD2 3.25Å; S136-Y139 WeakPolarHBondContact OG-CD2 3.4Å
137P79.8Confident71.8Confident108 Ų108137.3 Ų137.370%0.70167%0.671SS**G310 helixtrans-58.2-21.2-177.9-22.631000113.7Y139P137-Y139 PolarHBondContact O-N 3.28Å
138K81.4Confident72.6Confident160 Ų160133.7 Ų133.770%0.69665%0.652SS**G310 helixtrans-61.1-26.7178.2-172.4176179.6-176.20113S136S136-K138 PolarHBondContact O-N 3.41Å
139Y74.1Confident73.3Confident123 Ų123130.3 Ų130.348%0.48265%0.646SS.*G310 helixtrans-118.510.3-174.2-56.9-74.2000113.8S136 P137 K141 V142S136-Y139 PolarHBondContact O-N 3.42Å; S136-Y139 VanDerWaalsContact OG-CD2 3.25Å; S136-Y139 WeakPolarHBondContact OG-CD2 3.4Å; P137-Y139 PolarHBondContact O-N 3.28Å; Y139-K141 VanDerWaalsContact C-N 3.26Å; Y139-K141 PolarHBondContact O-N 3.26Å; Y139-V142 HydrophobicContact CD1-CG2 4.13Å; Y139-V142 PolarHBondContact O-N 3.45Å
140D80Confident73.6Confident106 Ų106132 Ų13257%0.56765%0.648SS**THydrogen-bonded Turntrans-65.4-29.5179.3-84.6-15000113
141K81.4Confident74Confident200 Ų200131.5 Ų131.587%0.8764%0.642SS**THydrogen-bonded Turntrans-96.73.4179.3-58.6-177.5-177.6-177.90113.5Y139 E143Y139-K141 VanDerWaalsContact C-N 3.26Å; Y139-K141 PolarHBondContact O-N 3.26Å; K141-E143 PolarHBondContact O-N 3.34Å
142V81Confident74.4Confident94 Ų94129.6 Ų129.657%0.5764%0.635SS**  trans-94.297-178.3-1760000108.5Y139Y139-V142 HydrophobicContact CD1-CG2 4.13Å; Y139-V142 PolarHBondContact O-N 3.45Å
143E79Confident74.5Confident127 Ų127131 Ų13159%0.59364%0.637SS**  trans-63.5138.3174.5-62.4-63.4148.400110.5K141 R145 K147K141-E143 PolarHBondContact O-N 3.34Å; E143-R145 PolarHBondContact O-N 3.46Å; E143-K147 IonicContact OE2-NZ 2.8Å; E143-K147 PolarHBondContact OE2-NZ 3.46Å
144S79.9Confident73.9Confident63 Ų63126.6 Ų126.644%0.44163%0.627SS.*  trans-66.8125.7178.2175.30000110.3V146 K147 A148S144-V146 PolarHBondContact O-N 3.41Å; S144-V146 WeakPolarHBondContact OG-CB 3.48Å; S144-V146 PolarHBondContact OG-N 2.79Å; S144-K147 WeakPolarHBondContact O-CA 3.39Å; S144-K147 WeakPolarHBondContact O-CB 3.34Å; S144-K147 PolarHBondContact O-N 3.17Å; S144-K147 PolarHBondContact OG-N 3.49Å; S144-A148 PolarHBondContact O-N 2.69Å; S144-A148 VanDerWaalsContact O-N 3.16Å
145R78.6Confident73.5Confident221 Ų221120.4 Ų120.483%0.83462%0.617SS**Hα-helixtrans-58.8-27.9171.7-67.9-173.1176.6-171.9-1.4112.4E143 A148 Q149E143-R145 PolarHBondContact O-N 3.46Å; R145-A148 PolarHBondContact O-N 3.34Å; R145-Q149 WeakPolarHBondContact O-CG 3.46Å; R145-Q149 PolarHBondContact O-N 3.45Å
146V72.7Confident72.6Confident85 Ų85116.4 Ų116.452%0.51563%0.625SS.*Hα-helixtrans-69.2-36.1173.7-178.70000111.2S144 A148 Q149 L150S144-V146 PolarHBondContact O-N 3.41Å; S144-V146 WeakPolarHBondContact OG-CB 3.48Å; S144-V146 PolarHBondContact OG-N 2.79Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-Q149 PolarHBondContact O-N 3.48Å; V146-L150 HydrophobicContact CG1-CD1 4.18Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.47Å; V146-L150 PolarHBondContact O-N 3.36Å
147K77.5Confident71.3Confident99 Ų99123.3 Ų123.343%0.4365%0.65SS.*Hα-helixtrans-66.2-37.5174.3-179.4-175.2165.6-162.80111.1E143 S144 L150 Q151E143-K147 IonicContact OE2-NZ 2.8Å; E143-K147 PolarHBondContact OE2-NZ 3.46Å; S144-K147 WeakPolarHBondContact O-CA 3.39Å; S144-K147 WeakPolarHBondContact O-CB 3.34Å; S144-K147 PolarHBondContact O-N 3.17Å; S144-K147 PolarHBondContact OG-N 3.49Å; K147-L150 PolarHBondContact O-N 3.33Å; K147-Q151 PolarHBondContact O-N 3.31Å; K147-Q151 VanDerWaalsContact O-N 3.11Å
148A74.6Confident70Confident54 Ų54121 Ų12145%0.44665%0.646SS.*Hα-helixtrans-64-47.5173.100000111.5S144 R145 V146 L150 Q151 E152S144-A148 PolarHBondContact O-N 2.69Å; S144-A148 VanDerWaalsContact O-N 3.16Å; R145-A148 PolarHBondContact O-N 3.34Å; V146-A148 VanDerWaalsContact C-N 3.33Å; A148-L150 PolarHBondContact O-N 2.92Å; A148-Q151 PolarHBondContact O-N 3.26Å; A148-E152 WeakPolarHBondContact O-CG 3.43Å; A148-E152 PolarHBondContact O-N 2.92Å; A148-E152 VanDerWaalsContact O-N 3.07Å
149Q72.1Confident68.6Low151 Ų151119.9 Ų119.971%0.70665%0.653SS**Hα-helixtrans-61.8-26.9176.9-75.2178.6-21.200114.2R145 V146R145-Q149 WeakPolarHBondContact O-CG 3.46Å; R145-Q149 PolarHBondContact O-N 3.45Å; V146-Q149 PolarHBondContact O-N 3.48Å
150L67Low67.6Low145 Ų145122.5 Ų122.576%0.75967%0.67SS**Hα-helixtrans-86-18.6175.5-69.9171.9000113.7V146 K147 A148V146-L150 HydrophobicContact CG1-CD1 4.18Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.47Å; V146-L150 PolarHBondContact O-N 3.36Å; K147-L150 PolarHBondContact O-N 3.33Å; A148-L150 PolarHBondContact O-N 2.92Å
151Q70.9Confident66.4Low144 Ų144123 Ų12367%0.67368%0.682SS**Hα-helixtrans-91.3-21.9176.6-92179.9-1.800113.4K147 A148 P153K147-Q151 PolarHBondContact O-N 3.31Å; K147-Q151 VanDerWaalsContact O-N 3.11Å; A148-Q151 PolarHBondContact O-N 3.26Å; Q151-P153 WeakPolarHBondContact O-CD 3.33Å
152E71.8Confident65.1Low140 Ų140116.1 Ų116.165%0.65466%0.662SS**SBendtrans-59.9122169.1-71.2-66.4143.800109.5A148 G154A148-E152 WeakPolarHBondContact O-CG 3.43Å; A148-E152 PolarHBondContact O-N 2.92Å; A148-E152 VanDerWaalsContact O-N 3.07Å; E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 3.18Å
153P64.6Low64.1Low123 Ų123119.9 Ų119.980%0.79967%0.673SS**  trans-67.69516827.2-29.4000107.7Q151Q151-P153 WeakPolarHBondContact O-CD 3.33Å
154G55.5Low63.1Low57 Ų57122.2 Ų122.259%0.58868%0.681SS**  trans-56.3148.7177.700000111.6E152 A156E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 3.18Å; G154-A156 PolarHBondContact O-N 2.9Å
155P53.7Low62Low102 Ų102127.5 Ų127.566%0.66270%0.704SS**  trans-58.5137175.324.9-31.8000109.3F157P155-F157 HydrophobicContact CB-CD2 4.02Å; P155-F157 HydrophobicContact CB-CE2 3.79Å; P155-F157 HydrophobicContact CG-CD2 3.81Å; P155-F157 HydrophobicContact CG-CE2 3.63Å; P155-F157 PolarHBondContact O-N 3.46Å
156A53.9Low60.9Low106 Ų106126 Ų12688%0.87670%0.698SS**  trans-65.378.9178.100000110.6G154G154-A156 PolarHBondContact O-N 2.9Å
157F48Very low60Low181 Ų181125.8 Ų125.879%0.79471%0.706SS**  trans-90.4109.4160.6-70.7-72.7000107.5P155P155-F157 HydrophobicContact CB-CD2 4.02Å; P155-F157 HydrophobicContact CB-CE2 3.79Å; P155-F157 HydrophobicContact CG-CD2 3.81Å; P155-F157 HydrophobicContact CG-CE2 3.63Å; P155-F157 PolarHBondContact O-N 3.46Å
158G52.7Low58.7Low60 Ų60129.9 Ų129.962%0.61973%0.726SS**  trans-63.9174.7167.800000112.2
159T51.8Low57.8Low137 Ų137129.6 Ų129.684%0.8472%0.721SS**  trans84116.2169.516.60000118
160E51.9Low56.9Low178 Ų178133.9 Ų133.983%0.83273%0.73SS**  trans82.575.4152.1-56.4-173.1-179.300118.4A162E160-A162 PolarHBondContact O-N 2.98Å
161S56.1Low56.1Low116 Ų116133.6 Ų133.681%0.81174%0.739SS**  trans-70.685.7153.352.60000109.5H163S161-H163 PolarHBondContact O-N 3.5Å; S161-H163 VanDerWaalsContact O-N 3.09Å
162A54.1Low55.1Low55 Ų55129.7 Ų129.746%0.45574%0.738SS.*  trans-60.3117.5172.600000110.2E160 F164E160-A162 PolarHBondContact O-N 2.98Å; A162-F164 VanDerWaalsContact C-N 3.34Å; A162-F164 HydrophobicContact CB-CD2 3.82Å; A162-F164 HydrophobicContact CB-CE1 4.05Å; A162-F164 HydrophobicContact CB-CE2 3.13Å; A162-F164 HydrophobicContact CB-CZ 3.25Å; A162-F164 WeakPolarHBondContact O-CD2 3.38Å; A162-F164 PolarHBondContact O-N 3.26Å
163H60.4Low54.2Low174 Ų174129.8 Ų129.881%0.80675%0.75SS**  trans-64.283178.4-91.3-76.2000111.2S161S161-H163 PolarHBondContact O-N 3.5Å; S161-H163 VanDerWaalsContact O-N 3.09Å
164F57.2Low53.7Low175 Ų175127.2 Ų127.277%0.76875%0.746SS**  trans-92.2-5.4-179-65-59.6000115.7A162A162-F164 VanDerWaalsContact C-N 3.34Å; A162-F164 HydrophobicContact CB-CD2 3.82Å; A162-F164 HydrophobicContact CB-CE1 4.05Å; A162-F164 HydrophobicContact CB-CE2 3.13Å; A162-F164 HydrophobicContact CB-CZ 3.25Å; A162-F164 WeakPolarHBondContact O-CD2 3.38Å; A162-F164 PolarHBondContact O-N 3.26Å
165L56.1Low53.7Low174 Ų174132.4 Ų132.491%0.91176%0.759SS**SBendtrans-145.876.1179.8-67.8173.7000113
166R56.7Low53.9Low189 Ų189132.9 Ų132.971%0.71376%0.763SS**  trans-151.761159.7-146.7176-162.7-140.4-4.2113.2H168 S169R166-H168 VanDerWaalsContact C-N 3.3Å; R166-H168 PolarHBondContact O-N 2.9Å; R166-S169 WeakPolarHBondContact CD-OG 3.17Å; R166-S169 VanDerWaalsContact CG-OG 3.23Å; R166-S169 WeakPolarHBondContact CG-OG 3.5Å; R166-S169 VanDerWaalsContact NE-CB 3.34Å; R166-S169 PolarHBondContact NE-OG 2.96Å; R166-S169 PolarHBondContact NH1-OG 3.49Å
167A52.9Low54.1Low82 Ų82133.1 Ų133.168%0.67876%0.755SS**THydrogen-bonded Turntrans-72-16.1179.200000114.5
168H51.5Low54.3Low184 Ų184130.3 Ų130.385%0.85276%0.755SS**THydrogen-bonded Turntrans-139.735.5-170.4-59.7-56.1000116.8R166R166-H168 VanDerWaalsContact C-N 3.3Å; R166-H168 PolarHBondContact O-N 2.9Å
169S55.7Low54.1Low49 Ų49139 Ų13934%0.34377%0.769SS.*  trans-106.463.416672.10000111.4R166R166-S169 WeakPolarHBondContact CD-OG 3.17Å; R166-S169 VanDerWaalsContact CG-OG 3.23Å; R166-S169 WeakPolarHBondContact CG-OG 3.5Å; R166-S169 VanDerWaalsContact NE-CB 3.34Å; R166-S169 PolarHBondContact NE-OG 2.96Å; R166-S169 PolarHBondContact NH1-OG 3.49Å
170R51.3Low54.1Low241 Ų241138.7 Ų138.791%0.90977%0.766SS**  trans-108.767.8168.7-69.9-171.6179.5-108.42.5109.6
171C51.1Low53.9Low138 Ų138135.7 Ų135.793%0.93276%0.762SS**  trans-134.372.2160.5-700000107.7
172G50.5Low53.6Low63 Ų63134.8 Ų134.865%0.64976%0.756SS**  trans-120.1145160.100000107.5
173P53.1Low53.4Low142 Ų142137.7 Ų137.792%0.92277%0.77SS**SBendtrans-75.1132.5-170.129-28.9000110.7
174G52.9Low52.9Low68 Ų68137.8 Ų137.870%0.70177%0.771SS**  trans113.927.2151.300000119.7
175L56.8Low52.3Low166 Ų166135.3 Ų135.387%0.86977%0.773SS**  trans-128.6120.4162.9-69.6173.3000111
176P56.8Low52Low113 Ų113133.1 Ų133.173%0.73477%0.767SS**PPolyproline II helixtrans-64.814317027.7-31.4000109.1
177P57.6Low51.8Low111 Ų111129.7 Ų129.772%0.72177%0.769SS**PPolyproline II helixtrans-59.2148174.925.3-32.5000109.9R179P177-R179 PolarHBondContact O-N 3.31Å; P177-R179 VanDerWaalsContact O-N 3.07Å
178P53.1Low51.5Low122 Ų122131.9 Ų131.979%0.79278%0.776SS**PPolyproline II helixtrans-59.6120.7176.425.6-31.2000107.8V180P178-V180 PolarHBondContact O-N 2.95Å
179R49Very low51.1Low243 Ų243125.9 Ų125.992%0.91776%0.764SS**  trans-58.7108.7167.4-83.1-179.5-178.7162.10.6106.8P177P177-R179 PolarHBondContact O-N 3.31Å; P177-R179 VanDerWaalsContact O-N 3.07Å
180V50.9Low51.1Low129 Ų129129.4 Ų129.478%0.78279%0.786SS**PPolyproline II helixtrans-56.5131.7161.9-173.30000106.2P178 S182P178-V180 PolarHBondContact O-N 2.95Å; V180-S182 PolarHBondContact O-N 2.72Å; V180-S182 VanDerWaalsContact O-N 3.08Å
181P48.1Very low50.9Low115 Ų115127.9 Ų127.975%0.74779%0.786SS**PPolyproline II helixtrans-56.3121.8174.3-19.430.2000108
182S50.5Low50.6Low98 Ų98125.9 Ų125.969%0.68578%0.779SS**PPolyproline II helixtrans-51.4133.3164-175.40000107.1V180 Q184V180-S182 PolarHBondContact O-N 2.72Å; V180-S182 VanDerWaalsContact O-N 3.08Å; S182-Q184 PolarHBondContact O-N 2.84Å
183P48.8Very low50.5Low115 Ų115133.2 Ų133.275%0.74779%0.793SS**  trans-56.9115.7173.923-30.2000106.9
184Q49.5Very low50.2Low176 Ų176134.9 Ų134.982%0.82279%0.789SS**  trans-63.4134171-70.2-160.9-13.900107.2S182 T186S182-Q184 PolarHBondContact O-N 2.84Å; Q184-T186 PolarHBondContact O-N 3.45Å
185P46Very low49.9Very low123 Ų123137.3 Ų137.380%0.79979%0.792SS**  trans-63115.2171.725.4-29.3000107.3
186T49.7Very low49.7Very low129 Ų129133.3 Ų133.379%0.79179%0.791SS**PPolyproline II helixtrans-58.4133.7169.731.10000108.8Q184Q184-T186 PolarHBondContact O-N 3.45Å
187P51.2Low49.9Very low116 Ų116135.2 Ų135.275%0.75379%0.794SS**PPolyproline II helixtrans-65.9137.1172.127.4-31000108.4G189P187-G189 PolarHBondContact O-N 3.3Å
188P47.7Very low50.4Low129 Ų129133.8 Ų133.884%0.83880%0.8SS**PPolyproline II helixtrans-68129178.227.1-30.6000109.1
189G42.8Very low51.3Low58 Ų58131.9 Ų131.960%0.59879%0.785SS**PPolyproline II helixtrans-60.5154.4171.200000111.5P187P187-G189 PolarHBondContact O-N 3.3Å
190P55.3Low53Low123 Ų123123.4 Ų123.480%0.79976%0.758SS**SBendtrans-68.6146.3175.833.4-31.9000107.3
191K48.3Very low54.8Low209 Ų209124.1 Ų124.191%0.90975%0.751SS**  trans94.256-176-45.3-65.3179171.60115.2
192A43.4Very low56.7Low95 Ų95125.2 Ų125.279%0.78575%0.75SS**  trans-150.291.6135.700000108.4E194A192-E194 PolarHBondContact O-N 3.28Å
193K48.8Very low58.6Low218 Ų218128.4 Ų128.495%0.94875%0.746SS**  trans-76.698.2155.7-78.7-165.7175.2-1730105.9
194E47.4Very low60.7Low177 Ų177128.2 Ų128.283%0.82774%0.735SS**  trans-119.4131.2150.5-110.1-173.6168.900108.1A192 G196A192-E194 PolarHBondContact O-N 3.28Å; E194-G196 PolarHBondContact O-N 2.86Å
195P46.9Very low62.7Low118 Ų118124.8 Ų124.877%0.76672%0.723SS**  trans-56.1132-177.7-21.131.4000110.4L197P195-L197 VanDerWaalsContact C-N 3.33Å; P195-L197 PolarHBondContact O-N 2.88Å
196G52.6Low64.9Low82 Ų82121.2 Ų121.285%0.84570%0.704SS**  trans-54.596.6172.500000110.3E194 G198E194-G196 PolarHBondContact O-N 2.86Å; G196-G198 PolarHBondContact O-N 3.01Å
197L59.5Low66.9Low153 Ų153122.6 Ų122.680%0.80169%0.694SS**  trans-54.8123.4161.1-71.9169.8000105.5P195 V199P195-L197 VanDerWaalsContact C-N 3.33Å; P195-L197 PolarHBondContact O-N 2.88Å; L197-V199 PolarHBondContact O-N 3.24Å
198G68.9Low68.8Low82 Ų82119.2 Ų119.285%0.84568%0.676SS**  trans-60.772.5-179.800000112.1G196 D200G196-G198 PolarHBondContact O-N 3.01Å; G198-D200 PolarHBondContact O-N 3.08Å
199V72.7Confident70.7Confident81 Ų81116.6 Ų116.649%0.49167%0.665SS.*  trans-75.996.9170.1-1790000105.7L197 F201L197-V199 PolarHBondContact O-N 3.24Å; V199-F201 VanDerWaalsContact C-N 3.33Å; V199-F201 HydrophobicContact CG1-CD1 4.45Å; V199-F201 HydrophobicContact CG1-CE1 4.34Å; V199-F201 VanDerWaalsContact O-CD2 3.24Å; V199-F201 WeakPolarHBondContact O-CD2 3.25Å; V199-F201 WeakPolarHBondContact O-CE2 3.48Å; V199-F201 PolarHBondContact O-N 3.3Å
200D85Confident72.9Confident65 Ų65122.7 Ų122.735%0.34868%0.675SS.*  trans-65.196.3170.5-178.5-13.6000108.4G198 I202 R203 H204G198-D200 PolarHBondContact O-N 3.08Å; D200-I202 PolarHBondContact O-N 3.26Å; D200-I202 WeakPolarHBondContact OD1-CA 3.5Å; D200-I202 VanDerWaalsContact OD1-CB 3.23Å; D200-I202 WeakPolarHBondContact OD1-CB 3.38Å; D200-I202 PolarHBondContact OD1-N 3.18Å; D200-R203 HydrophobicContact CB-CB 4.03Å; D200-R203 HydrophobicContact CB-CG 4.19Å; D200-R203 PolarHBondContact O-N 3.34Å; D200-R203 VanDerWaalsContact O-N 3.09Å; D200-R203 PolarHBondContact OD1-N 3.1Å; D200-R203 VanDerWaalsContact OD1-N 3.13Å; D200-R203 WeakPolarHBondContact OD2-CD 3.39Å; D200-R203 WeakPolarHBondContact OD2-CG 3.26Å; D200-R203 IonicContact OD2-CZ 3.95Å; D200-R203 IonicContact OD2-NE 2.72Å; D200-R203 PolarHBondContact OD2-NE 3.34Å; D200-H204 PolarHBondContact O-N 2.99Å
201F86.8Confident74.4Confident145 Ų145126.5 Ų126.564%0.63667%0.674SS**Hα-helixtrans-59.6-24.2179.7-65.9-78.2000112.4V199 N205V199-F201 VanDerWaalsContact C-N 3.33Å; V199-F201 HydrophobicContact CG1-CD1 4.45Å; V199-F201 HydrophobicContact CG1-CE1 4.34Å; V199-F201 VanDerWaalsContact O-CD2 3.24Å; V199-F201 WeakPolarHBondContact O-CD2 3.25Å; V199-F201 WeakPolarHBondContact O-CE2 3.48Å; V199-F201 PolarHBondContact O-N 3.3Å; F201-N205 VanDerWaalsContact O-CB 3.25Å; F201-N205 WeakPolarHBondContact O-CB 3.36Å; F201-N205 PolarHBondContact O-N 3.49Å; F201-N205 PolarHBondContact O-ND2 3.32Å
202I89.8Confident76.1Confident138 Ų138119.2 Ų119.271%0.70865%0.653SS**Hα-helixtrans-70.7-49175.3-53.4175.6000108.8D200 H204 N205 A206D200-I202 PolarHBondContact O-N 3.26Å; D200-I202 WeakPolarHBondContact OD1-CA 3.5Å; D200-I202 VanDerWaalsContact OD1-CB 3.23Å; D200-I202 WeakPolarHBondContact OD1-CB 3.38Å; D200-I202 PolarHBondContact OD1-N 3.18Å; I202-H204 VanDerWaalsContact C-N 3.34Å; I202-H204 PolarHBondContact O-N 3.36Å; I202-N205 PolarHBondContact O-N 3.42Å; I202-A206 VanDerWaalsContact O-CB 3.24Å; I202-A206 WeakPolarHBondContact O-CB 3.31Å; I202-A206 PolarHBondContact O-N 2.96Å
203R90.6Very high78Confident164 Ų164119.9 Ų119.962%0.61965%0.649SS**Hα-helixtrans-63.1-39.1173.9-74.3174.6-169.2-164.1-3.7112.2D200 R207D200-R203 HydrophobicContact CB-CB 4.03Å; D200-R203 HydrophobicContact CB-CG 4.19Å; D200-R203 PolarHBondContact O-N 3.34Å; D200-R203 VanDerWaalsContact O-N 3.09Å; D200-R203 PolarHBondContact OD1-N 3.1Å; D200-R203 VanDerWaalsContact OD1-N 3.13Å; D200-R203 WeakPolarHBondContact OD2-CD 3.39Å; D200-R203 WeakPolarHBondContact OD2-CG 3.26Å; D200-R203 IonicContact OD2-CZ 3.95Å; D200-R203 IonicContact OD2-NE 2.72Å; D200-R203 PolarHBondContact OD2-NE 3.34Å; R203-R207 WeakPolarHBondContact O-CB 3.16Å; R203-R207 WeakPolarHBondContact O-CG 3.44Å; R203-R207 PolarHBondContact O-N 3.3Å
204H91.1Very high79.4Confident111 Ų111120.7 Ų120.751%0.51465%0.646SS.*Hα-helixtrans-64.7-49.4177.9-176.677.7000111.6D200 I202 R207 A208D200-H204 PolarHBondContact O-N 2.99Å; I202-H204 VanDerWaalsContact C-N 3.34Å; I202-H204 PolarHBondContact O-N 3.36Å; H204-R207 PolarHBondContact O-N 3.21Å; H204-A208 WeakPolarHBondContact O-CB 3.3Å; H204-A208 PolarHBondContact O-N 3.42Å
205N92.3Very high80.9Confident105 Ų105123.7 Ų123.756%0.56165%0.65SS**Hα-helixtrans-65.3-39.4176.6-82.3-49000112.5F201 I202 R207 A208 A209F201-N205 VanDerWaalsContact O-CB 3.25Å; F201-N205 WeakPolarHBondContact O-CB 3.36Å; F201-N205 PolarHBondContact O-N 3.49Å; F201-N205 PolarHBondContact O-ND2 3.32Å; I202-N205 PolarHBondContact O-N 3.42Å; N205-R207 VanDerWaalsContact C-N 3.32Å; N205-R207 PolarHBondContact O-N 3.26Å; N205-A208 PolarHBondContact O-N 3.22Å; N205-A209 VanDerWaalsContact O-CB 3.28Å; N205-A209 WeakPolarHBondContact O-CB 3.32Å; N205-A209 PolarHBondContact O-N 3.5Å
206A92.4Very high82.4Confident48 Ų48123.7 Ų123.740%0.39764%0.639SS.*Hα-helixtrans-62.3-40.6175.200000111.6I202 K210I202-A206 VanDerWaalsContact O-CB 3.24Å; I202-A206 WeakPolarHBondContact O-CB 3.31Å; I202-A206 PolarHBondContact O-N 2.96Å; A206-K210 WeakPolarHBondContact O-CB 3.29Å; A206-K210 VanDerWaalsContact O-CG 3.25Å; A206-K210 WeakPolarHBondContact O-CG 3.48Å; A206-K210 PolarHBondContact O-N 2.94Å
207R91.1Very high84Confident158 Ų158122.4 Ų122.460%0.59662%0.617SS**Hα-helixtrans-67.7-41.2174.1-73.8172.6-179.9-176.20.2111.7R203 H204 N205 K210 R211R203-R207 WeakPolarHBondContact O-CB 3.16Å; R203-R207 WeakPolarHBondContact O-CG 3.44Å; R203-R207 PolarHBondContact O-N 3.3Å; H204-R207 PolarHBondContact O-N 3.21Å; N205-R207 VanDerWaalsContact C-N 3.32Å; N205-R207 PolarHBondContact O-N 3.26Å; R207-K210 PolarHBondContact O-N 3.13Å; R207-R211 WeakPolarHBondContact O-CB 3.34Å; R207-R211 VanDerWaalsContact O-CG 3.28Å; R207-R211 WeakPolarHBondContact O-CG 3.26Å; R207-R211 PolarHBondContact O-N 3.35Å; R207-R211 VanDerWaalsContact O-N 3.08Å
208A91.1Very high85.3Confident45 Ų45125.5 Ų125.537%0.37262%0.618SS.*Hα-helixtrans-64.6-44.4177.300000111.7H204 N205 R211 A212H204-A208 WeakPolarHBondContact O-CB 3.3Å; H204-A208 PolarHBondContact O-N 3.42Å; N205-A208 PolarHBondContact O-N 3.22Å; A208-R211 CarbonylContact O-C 3.56Å; A208-R211 PolarHBondContact O-N 2.98Å; A208-A212 WeakPolarHBondContact O-CB 3.33Å; A208-A212 PolarHBondContact O-N 2.79Å
209A87.9Confident86.4Confident73 Ų73125.7 Ų125.760%0.60361%0.606SS**Hα-helixtrans-65.3-3917700000112.5N205 R211 A212N205-A209 VanDerWaalsContact O-CB 3.28Å; N205-A209 WeakPolarHBondContact O-CB 3.32Å; N205-A209 PolarHBondContact O-N 3.5Å; A209-R211 VanDerWaalsContact C-N 3.29Å; A209-R211 PolarHBondContact O-N 2.95Å; A209-A212 PolarHBondContact O-N 3.41Å
210K88.5Confident87.1Confident186 Ų186125.8 Ų125.881%0.80960%0.604SS**Hα-helixtrans-64.6-32173.3-76.9178.7-179.2-172.80112.9A206 R207A206-K210 WeakPolarHBondContact O-CB 3.29Å; A206-K210 VanDerWaalsContact O-CG 3.25Å; A206-K210 WeakPolarHBondContact O-CG 3.48Å; A206-K210 PolarHBondContact O-N 2.94Å; R207-K210 PolarHBondContact O-N 3.13Å
211R88.1Confident87.3Confident204 Ų204127.2 Ų127.277%0.7761%0.608SS**Hα-helixtrans-89-16.1179.6-70.7174.7178.8170.2-2.2113.4R207 A208 A209R207-R211 WeakPolarHBondContact O-CB 3.34Å; R207-R211 VanDerWaalsContact O-CG 3.28Å; R207-R211 WeakPolarHBondContact O-CG 3.26Å; R207-R211 PolarHBondContact O-N 3.35Å; R207-R211 VanDerWaalsContact O-N 3.08Å; A208-R211 CarbonylContact O-C 3.56Å; A208-R211 PolarHBondContact O-N 2.98Å; A209-R211 VanDerWaalsContact C-N 3.29Å; A209-R211 PolarHBondContact O-N 2.95Å
212A84Confident87.7Confident56 Ų56124.3 Ų124.346%0.46360%0.602SS.*SBendtrans-64.6125.8-178.400000109.9A208 A209 R214A208-A212 WeakPolarHBondContact O-CB 3.33Å; A208-A212 PolarHBondContact O-N 2.79Å; A209-A212 PolarHBondContact O-N 3.41Å; A212-R214 PolarHBondContact O-N 3.36Å
213P82.5Confident87.9Confident108 Ų108122.3 Ų122.370%0.70159%0.593SS**  trans-64.1131.2178.326.4-33.4000109.3R215P213-R215 PolarHBondContact O-N 2.94Å
214R79.3Confident88Confident236 Ų236117.1 Ų117.189%0.89159%0.585SS**  trans-63.9111.3174-63.1-177.493.9-168.17.7108A212 H216A212-R214 PolarHBondContact O-N 3.36Å; R214-H216 PolarHBondContact O-N 2.91Å; R214-H216 VanDerWaalsContact O-N 3.15Å
215R77.9Confident88.2Confident240 Ų240117 Ų11791%0.90658%0.584SS**  trans-73.2106.7174.7-66.5-174.6177.5-166.1-1108.3P213P213-R215 PolarHBondContact O-N 2.94Å
216H77.4Confident88.4Confident118 Ų118114.8 Ų114.855%0.54657%0.574SS.*  trans-64.3145.3170.6-90.2-75.5000110.6R214 L220 Q221R214-H216 PolarHBondContact O-N 2.91Å; R214-H216 VanDerWaalsContact O-N 3.15Å; H216-L220 HydrophobicContact CB-CB 4.42Å; H216-L220 WeakPolarHBondContact ND1-CD1 3.4Å; H216-Q221 HydrophobicContact CB-CG 4.11Å; H216-Q221 PolarHBondContact O-NE2 2.88Å
217S87.6Confident88.7Confident55 Ų55117.3 Ų117.339%0.38558%0.581SS.*  trans-59.1149.8171.9640000110.2S219 L220 Q221S217-S219 PolarHBondContact O-N 3.38Å; S217-S219 PolarHBondContact OG-OG 2.93Å; S217-L220 PolarHBondContact O-N 3.45Å; S217-L220 VanDerWaalsContact OG-CG 3.31Å; S217-L220 WeakPolarHBondContact OG-CG 3.36Å; S217-L220 PolarHBondContact OG-N 3.19Å; S217-Q221 PolarHBondContact O-N 3.46Å; S217-Q221 VanDerWaalsContact O-N 3.12Å
218R87.3Confident88.9Confident218 Ų218114.2 Ų114.282%0.82357%0.573SS**Hα-helixtrans-56.2-34.3177.1-67.9-173.2176.1-146.6-0.3112.1Q221 V222R218-Q221 PolarHBondContact O-N 2.85Å; R218-V222 VanDerWaalsContact O-CG2 3.28Å; R218-V222 WeakPolarHBondContact O-CG2 3.22Å; R218-V222 PolarHBondContact O-N 2.86Å
219S90.2Very high89.2Confident85 Ų85117.8 Ų117.859%0.59458%0.582SS**Hα-helixtrans-62.5-40.9175.8520000113.3S217 V222 L223S217-S219 PolarHBondContact O-N 3.38Å; S217-S219 PolarHBondContact OG-OG 2.93Å; S219-V222 PolarHBondContact O-N 3.43Å; S219-L223 PolarHBondContact O-N 3.4Å
220L89Confident89.7Confident83 Ų83120.2 Ų120.244%0.43558%0.581SS.*Hα-helixtrans-71.5-34.9177.2-70.7175.2000112H216 S217 L223 A224H216-L220 HydrophobicContact CB-CB 4.42Å; H216-L220 WeakPolarHBondContact ND1-CD1 3.4Å; S217-L220 PolarHBondContact O-N 3.45Å; S217-L220 VanDerWaalsContact OG-CG 3.31Å; S217-L220 WeakPolarHBondContact OG-CG 3.36Å; S217-L220 PolarHBondContact OG-N 3.19Å; L220-L223 PolarHBondContact O-N 3.12Å; L220-A224 WeakPolarHBondContact O-CB 3.16Å; L220-A224 PolarHBondContact O-N 2.87Å
221Q89.1Confident90.1Very high96 Ų96117.7 Ų117.745%0.44957%0.566SS.*Hα-helixtrans-64.6-43173.9-64.7176.118.800111.4H216 S217 R218 A224 Q225H216-Q221 HydrophobicContact CB-CG 4.11Å; H216-Q221 PolarHBondContact O-NE2 2.88Å; S217-Q221 PolarHBondContact O-N 3.46Å; S217-Q221 VanDerWaalsContact O-N 3.12Å; R218-Q221 PolarHBondContact O-N 2.85Å; Q221-A224 PolarHBondContact O-N 2.82Å; Q221-Q225 WeakPolarHBondContact O-CG 3.39Å; Q221-Q225 PolarHBondContact O-N 3.35Å
222V93.6Very high90.5Very high83 Ų83112.7 Ų112.750%0.50355%0.552SS.*Hα-helixtrans-63.6-42.6175.3171.50000110.9R218 S219 A224 Q225 V226R218-V222 VanDerWaalsContact O-CG2 3.28Å; R218-V222 WeakPolarHBondContact O-CG2 3.22Å; R218-V222 PolarHBondContact O-N 2.86Å; S219-V222 PolarHBondContact O-N 3.43Å; V222-A224 VanDerWaalsContact C-N 3.35Å; V222-A224 PolarHBondContact O-N 3.08Å; V222-Q225 PolarHBondContact O-N 3.47Å; V222-V226 WeakPolarHBondContact O-CG2 3.25Å; V222-V226 PolarHBondContact O-N 3.06Å
223L94Very high91.1Very high97 Ų97113 Ų11351%0.50855%0.554SS.*Hα-helixtrans-61.3-43.4176.3-174.867000111.8S219 L220 Q225 V226 L227S219-L223 PolarHBondContact O-N 3.4Å; L220-L223 PolarHBondContact O-N 3.12Å; L223-Q225 VanDerWaalsContact C-N 3.34Å; L223-Q225 PolarHBondContact O-N 2.87Å; L223-V226 PolarHBondContact O-N 3.15Å; L223-L227 HydrophobicContact CG-CD1 4.38Å; L223-L227 WeakPolarHBondContact O-CG 3.47Å; L223-L227 PolarHBondContact O-N 3.23Å
224A93.4Very high91.7Very high55 Ų55113 Ų11346%0.45555%0.545SS..Hα-helixtrans-60.7-43176.900000111.9L220 Q221 V222 V226 L227 E228L220-A224 WeakPolarHBondContact O-CB 3.16Å; L220-A224 PolarHBondContact O-N 2.87Å; Q221-A224 PolarHBondContact O-N 2.82Å; V222-A224 VanDerWaalsContact C-N 3.35Å; V222-A224 PolarHBondContact O-N 3.08Å; A224-V226 PolarHBondContact O-N 2.83Å; A224-L227 PolarHBondContact O-N 3Å; A224-E228 WeakPolarHBondContact O-CB 3.4Å; A224-E228 PolarHBondContact O-N 2.98Å
225Q95.7Very high92.5Very high109 Ų109106.6 Ų106.651%0.50953%0.525SS..Hα-helixtrans-62.3-42.3176.1-72.7174.45.900112.3Q221 V222 L223 E228 Q229Q221-Q225 WeakPolarHBondContact O-CG 3.39Å; Q221-Q225 PolarHBondContact O-N 3.35Å; V222-Q225 PolarHBondContact O-N 3.47Å; L223-Q225 VanDerWaalsContact C-N 3.34Å; L223-Q225 PolarHBondContact O-N 2.87Å; Q225-E228 PolarHBondContact O-N 3.03Å; Q225-Q229 VanDerWaalsContact O-CG 3.3Å; Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.43Å
226V97.3Very high93.3Very high58 Ų58101 Ų10135%0.35251%0.509SS..Hα-helixtrans-64.2-42178.1171.40000111.3V222 L223 A224 E228 Q229 Q230V222-V226 WeakPolarHBondContact O-CG2 3.25Å; V222-V226 PolarHBondContact O-N 3.06Å; L223-V226 PolarHBondContact O-N 3.15Å; A224-V226 PolarHBondContact O-N 2.83Å; V226-E228 VanDerWaalsContact C-N 3.34Å; V226-Q229 PolarHBondContact O-N 3.41Å; V226-Q230 WeakPolarHBondContact O-CG 3.34Å; V226-Q230 PolarHBondContact O-N 3Å
227L97.3Very high94.1Very high100 Ų100100.7 Ų100.752%0.52450%0.504SS..Hα-helixtrans-64.9-39.6176.9-70174.2000111.8L223 A224 Q230 R231L223-L227 HydrophobicContact CG-CD1 4.38Å; L223-L227 WeakPolarHBondContact O-CG 3.47Å; L223-L227 PolarHBondContact O-N 3.23Å; A224-L227 PolarHBondContact O-N 3Å; L227-Q230 PolarHBondContact O-N 3.12Å; L227-R231 PolarHBondContact O-N 3.26Å
228E97Very high94.4Very high93 Ų93101.1 Ų101.144%0.43550%0.502SS..Hα-helixtrans-65.9-41.8176.2-175160.9-145.300112.1A224 Q225 V226 Q230 R231 Q232A224-E228 WeakPolarHBondContact O-CB 3.4Å; A224-E228 PolarHBondContact O-N 2.98Å; Q225-E228 PolarHBondContact O-N 3.03Å; V226-E228 VanDerWaalsContact C-N 3.34Å; E228-Q230 VanDerWaalsContact C-N 3.34Å; E228-Q230 PolarHBondContact O-N 3.47Å; E228-R231 PolarHBondContact O-N 3.5Å; E228-R231 IonicContact OE1-NH2 3.14Å; E228-Q232 WeakPolarHBondContact O-CG 3.31Å; E228-Q232 PolarHBondContact O-N 2.99Å
229Q97.3Very high94.7Very high121 Ų12194.9 Ų94.957%0.56550%0.497SS*.Hα-helixtrans-61.1-42173.5-73.617411.200112.1Q225 V226 Q232 A233Q225-Q229 VanDerWaalsContact O-CG 3.3Å; Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.43Å; V226-Q229 PolarHBondContact O-N 3.41Å; Q229-Q232 PolarHBondContact O-N 2.9Å; Q229-A233 WeakPolarHBondContact O-CB 3.48Å; Q229-A233 PolarHBondContact O-N 3.28Å
230Q97.2Very high94.7Very high123 Ų12394.4 Ų94.458%0.57549%0.49SS*.Hα-helixtrans-62.9-42.3175.2-74.7-179.421.200111.8V226 L227 E228 A233 Q234V226-Q230 WeakPolarHBondContact O-CG 3.34Å; V226-Q230 PolarHBondContact O-N 3Å; L227-Q230 PolarHBondContact O-N 3.12Å; E228-Q230 VanDerWaalsContact C-N 3.34Å; E228-Q230 PolarHBondContact O-N 3.47Å; Q230-A233 PolarHBondContact O-N 3.25Å; Q230-Q234 WeakPolarHBondContact O-CB 3.31Å; Q230-Q234 PolarHBondContact O-N 2.89Å
231R97.4Very high94.6Very high133 Ų13396 Ų9650%0.50250%0.495SS..Hα-helixtrans-60.1-48.8176.3-168-172.173.9-148.2-10.5111.1L227 E228 A233 Q234 E235L227-R231 PolarHBondContact O-N 3.26Å; E228-R231 PolarHBondContact O-N 3.5Å; E228-R231 IonicContact OE1-NH2 3.14Å; R231-A233 PolarHBondContact O-N 2.89Å; R231-Q234 WeakPolarHBondContact O-CB 3.16Å; R231-Q234 PolarHBondContact O-N 3Å; R231-E235 WeakPolarHBondContact CD-OE1 3.31Å; R231-E235 WeakPolarHBondContact CG-OE1 3.25Å; R231-E235 IonicContact NE-OE1 3.06Å; R231-E235 PolarHBondContact NE-OE1 3.28Å; R231-E235 WeakPolarHBondContact O-CG 3.37Å; R231-E235 PolarHBondContact O-N 3.29Å
232Q97.1Very high94.8Very high100 Ų10098 Ų9847%0.46750%0.503SS..Hα-helixtrans-62.1-42.5178.8-70.6173.7-100112.2E228 Q229 Q234 E235 H236E228-Q232 WeakPolarHBondContact O-CG 3.31Å; E228-Q232 PolarHBondContact O-N 2.99Å; Q229-Q232 PolarHBondContact O-N 2.9Å; Q232-Q234 VanDerWaalsContact C-N 3.31Å; Q232-Q234 PolarHBondContact O-N 3.24Å; Q232-E235 PolarHBondContact O-N 3.39Å; Q232-H236 WeakPolarHBondContact O-CB 3.33Å; Q232-H236 PolarHBondContact O-N 3.28Å
233A95.9Very high94.7Very high63 Ų6397.9 Ų97.952%0.52152%0.518SS..Hα-helixtrans-62.8-39.8176.100000111.8Q229 Q230 R231 H236 Y237Q229-A233 WeakPolarHBondContact O-CB 3.48Å; Q229-A233 PolarHBondContact O-N 3.28Å; Q230-A233 PolarHBondContact O-N 3.25Å; R231-A233 PolarHBondContact O-N 2.89Å; A233-H236 PolarHBondContact O-N 3.49Å; A233-Y237 WeakPolarHBondContact O-CB 3.41Å; A233-Y237 PolarHBondContact O-N 3.27Å
234Q95.2Very high94.6Very high107 Ų10799.8 Ų99.850%0.552%0.524SS..Hα-helixtrans-66.4-43.3176.3-170.967.650.300111.8Q230 R231 Q232 Y237 N238Q230-Q234 WeakPolarHBondContact O-CB 3.31Å; Q230-Q234 PolarHBondContact O-N 2.89Å; R231-Q234 WeakPolarHBondContact O-CB 3.16Å; R231-Q234 PolarHBondContact O-N 3Å; Q232-Q234 VanDerWaalsContact C-N 3.31Å; Q232-Q234 PolarHBondContact O-N 3.24Å; Q234-Y237 PolarHBondContact O-N 3.41Å; Q234-N238 PolarHBondContact NE2-OD1 3.15Å; Q234-N238 WeakPolarHBondContact O-CB 3.36Å; Q234-N238 PolarHBondContact O-N 2.93Å; Q234-N238 PolarHBondContact O-ND2 3.47Å
235E95.7Very high94.6Very high101 Ų101100.4 Ų100.447%0.47252%0.522SS..Hα-helixtrans-60.3-45.5174.5-73.7166.6-173.800110.9R231 Q232 Y237 N238 A239R231-E235 WeakPolarHBondContact CD-OE1 3.31Å; R231-E235 WeakPolarHBondContact CG-OE1 3.25Å; R231-E235 IonicContact NE-OE1 3.06Å; R231-E235 PolarHBondContact NE-OE1 3.28Å; R231-E235 WeakPolarHBondContact O-CG 3.37Å; R231-E235 PolarHBondContact O-N 3.29Å; Q232-E235 PolarHBondContact O-N 3.39Å; E235-Y237 PolarHBondContact O-N 2.94Å; E235-N238 PolarHBondContact O-N 3.02Å; E235-A239 WeakPolarHBondContact O-CB 3.26Å; E235-A239 PolarHBondContact O-N 2.98Å
236H95.6Very high94.6Very high123 Ų12398.1 Ų98.157%0.56952%0.516SS*.Hα-helixtrans-60.8-46.4176.5-179.9-84.2000112.1Q232 A233 N238 A239 T240Q232-H236 WeakPolarHBondContact O-CB 3.33Å; Q232-H236 PolarHBondContact O-N 3.28Å; A233-H236 PolarHBondContact O-N 3.49Å; H236-N238 VanDerWaalsContact C-N 3.35Å; H236-N238 PolarHBondContact O-N 3.43Å; H236-A239 PolarHBondContact O-N 3.15Å; H236-T240 PolarHBondContact O-N 3.02Å; H236-T240 PolarHBondContact O-OG1 3.04Å
237Y94Very high94.5Very high111 Ų111101.5 Ų101.544%0.43553%0.528SS..Hα-helixtrans-60.1-45175.7174-94.6000111.8A233 Q234 E235 A239 T240 Q241 K242A233-Y237 WeakPolarHBondContact O-CB 3.41Å; A233-Y237 PolarHBondContact O-N 3.27Å; Q234-Y237 PolarHBondContact O-N 3.41Å; E235-Y237 PolarHBondContact O-N 2.94Å; Y237-A239 VanDerWaalsContact C-N 3.28Å; Y237-A239 PolarHBondContact O-N 3Å; Y237-T240 PolarHBondContact O-N 2.92Å; Y237-Q241 HydrophobicContact CD2-CB 3.77Å; Y237-Q241 HydrophobicContact CD2-CG 4.34Å; Y237-Q241 VanDerWaalsContact CD2-OE1 3.26Å; Y237-Q241 HydrophobicContact CE2-CB 3.69Å; Y237-Q241 VanDerWaalsContact CE2-OE1 3.27Å; Y237-Q241 PolarHBondContact O-N 3.4Å; Y237-K242 HydrophobicContact CE1-CB 4.25Å; Y237-K242 PolarHBondContact O-N 3.49Å
238N93.8Very high94.5Very high65 Ų65103 Ų10335%0.34853%0.528SS..Hα-helixtrans-63.2-33.9178.6-71.4-22.7000112.4Q234 E235 H236 K242Q234-N238 PolarHBondContact NE2-OD1 3.15Å; Q234-N238 WeakPolarHBondContact O-CB 3.36Å; Q234-N238 PolarHBondContact O-N 2.93Å; Q234-N238 PolarHBondContact O-ND2 3.47Å; E235-N238 PolarHBondContact O-N 3.02Å; H236-N238 VanDerWaalsContact C-N 3.35Å; H236-N238 PolarHBondContact O-N 3.43Å; N238-K242 HydrophobicContact CB-CD 4.25Å; N238-K242 WeakPolarHBondContact O-CB 3.48Å; N238-K242 WeakPolarHBondContact OD1-CD 3.35Å
239A93Very high94.5Very high87 Ų87102 Ų10272%0.71953%0.525SS*.Hα-helixtrans-78.9-33.6179.100000113.5E235 H236 Y237E235-A239 WeakPolarHBondContact O-CB 3.26Å; E235-A239 PolarHBondContact O-N 2.98Å; H236-A239 PolarHBondContact O-N 3.15Å; Y237-A239 VanDerWaalsContact C-N 3.28Å; Y237-A239 PolarHBondContact O-N 3Å
240T90Very high94.5Very high74 Ų7498.9 Ų98.945%0.45451%0.512SS..Hα-helixtrans-104.3-47.1-170.9510000114.3H236 Y237H236-T240 PolarHBondContact O-N 3.02Å; H236-T240 PolarHBondContact O-OG1 3.04Å; Y237-T240 PolarHBondContact O-N 2.92Å
241Q87.2Confident94.5Very high116 Ų11697.7 Ų97.754%0.54251%0.506SS..THydrogen-bonded Turntrans-106.4-28.1-167-65.4-177.88.500112.9Y237 G243 H244Y237-Q241 HydrophobicContact CD2-CB 3.77Å; Y237-Q241 HydrophobicContact CD2-CG 4.34Å; Y237-Q241 VanDerWaalsContact CD2-OE1 3.26Å; Y237-Q241 HydrophobicContact CE2-CB 3.69Å; Y237-Q241 VanDerWaalsContact CE2-OE1 3.27Å; Y237-Q241 PolarHBondContact O-N 3.4Å; Q241-G243 PolarHBondContact O-N 3.35Å; Q241-H244 WeakPolarHBondContact O-CB 3.4Å; Q241-H244 PolarHBondContact O-N 3.07Å
242K92.9Very high94.6Very high140 Ų14097.7 Ų97.761%0.60951%0.506SS*.THydrogen-bonded Turntrans-64.6122.8-178.5-176.2177.9179.3-178.30110.6Y237 N238 H244Y237-K242 HydrophobicContact CE1-CB 4.25Å; Y237-K242 PolarHBondContact O-N 3.49Å; N238-K242 HydrophobicContact CB-CD 4.25Å; N238-K242 WeakPolarHBondContact O-CB 3.48Å; N238-K242 WeakPolarHBondContact OD1-CD 3.35Å; K242-H244 VanDerWaalsContact C-N 3.26Å; K242-H244 PolarHBondContact O-N 3.22Å
243G90.9Very high94.6Very high79 Ų7999 Ų9981%0.81451%0.507SS*.THydrogen-bonded Turntrans82.1-2.9-17800000114.5Q241Q241-G243 PolarHBondContact O-N 3.35Å
244H93.4Very high94.7Very high138 Ų13898.6 Ų98.664%0.63950%0.496SS*.PPolyproline II helixtrans-73.4130.4173.4-162.366.9000110.2Q241 K242 P246Q241-H244 WeakPolarHBondContact O-CB 3.4Å; Q241-H244 PolarHBondContact O-N 3.07Å; K242-H244 VanDerWaalsContact C-N 3.26Å; K242-H244 PolarHBondContact O-N 3.22Å; H244-P246 WeakPolarHBondContact O-CD 3.45Å
245V93.6Very high94.8Very high68 Ų6898 Ų9841%0.41250%0.496SS..PPolyproline II helixtrans-75.8127177.8178.80000108.4H247 L249 L250V245-H247 PolarHBondContact O-N 3.25Å; V245-L249 HydrophobicContact CG1-CB 3.75Å; V245-L249 HydrophobicContact CG1-CD1 4.04Å; V245-L250 HydrophobicContact CB-CD2 4.37Å; V245-L250 HydrophobicContact CG1-CD2 4.16Å; V245-L250 HydrophobicContact CG1-CG 4.25Å
246P95.7Very high94.9Very high60 Ų60101 Ų10139%0.3950%0.503SS..PPolyproline II helixtrans-52.6139.5175.1-29.334.7000112.9H244 Y248 L249H244-P246 WeakPolarHBondContact O-CD 3.45Å; P246-Y248 VanDerWaalsContact C-N 3.26Å; P246-Y248 HydrophobicContact CB-CD1 3.51Å; P246-Y248 HydrophobicContact CB-CE1 3.19Å; P246-Y248 HydrophobicContact CG-CE1 3.93Å; P246-Y248 PolarHBondContact O-N 3.47Å; P246-Y248 VanDerWaalsContact O-N 3.15Å; P246-L249 HydrophobicContact CG-CD1 4.48Å; P246-L249 WeakPolarHBondContact O-CB 3.44Å; P246-L249 PolarHBondContact O-N 2.89Å
247H95.2Very high95Very high129 Ų12999.8 Ų99.860%0.59750%0.498SS*.Hα-helixtrans-52.3-42.4-174.1-169.262.9000113.5V245 L249 L250 E251V245-H247 PolarHBondContact O-N 3.25Å; H247-L249 PolarHBondContact O-N 3.22Å; H247-L249 VanDerWaalsContact O-N 3.15Å; H247-L250 WeakPolarHBondContact O-CB 3.49Å; H247-L250 PolarHBondContact O-N 2.96Å; H247-E251 VanDerWaalsContact CD2-CD 3.47Å; H247-E251 IonicContact CD2-OE1 3.63Å; H247-E251 PolarHBondContact CD2-OE1 3.45Å; H247-E251 IonicContact NE2-OE1 2.69Å; H247-E251 PolarHBondContact NE2-OE1 2.93Å; H247-E251 VanDerWaalsContact NE2-OE1 3.08Å; H247-E251 PolarHBondContact O-N 3.42Å
248Y96.7Very high95.1Very high132 Ų132102.4 Ų102.452%0.51851%0.507SS..Hα-helixtrans-61.3-26.2-179.174.4-93.2000114P246 R252P246-Y248 VanDerWaalsContact C-N 3.26Å; P246-Y248 HydrophobicContact CB-CD1 3.51Å; P246-Y248 HydrophobicContact CB-CE1 3.19Å; P246-Y248 HydrophobicContact CG-CE1 3.93Å; P246-Y248 PolarHBondContact O-N 3.47Å; P246-Y248 VanDerWaalsContact O-N 3.15Å; Y248-R252 WeakPolarHBondContact O-CB 3.49Å; Y248-R252 PolarHBondContact O-N 2.88Å
249L97.3Very high95.2Very high73 Ų73103.5 Ų103.538%0.38251%0.51SS..Hα-helixtrans-76.5-34.7175.8-68.6178.6000111.4V245 P246 H247 R252 R253V245-L249 HydrophobicContact CG1-CB 3.75Å; V245-L249 HydrophobicContact CG1-CD1 4.04Å; P246-L249 HydrophobicContact CG-CD1 4.48Å; P246-L249 WeakPolarHBondContact O-CB 3.44Å; P246-L249 PolarHBondContact O-N 2.89Å; H247-L249 PolarHBondContact O-N 3.22Å; H247-L249 VanDerWaalsContact O-N 3.15Å; L249-R252 PolarHBondContact O-N 3.23Å; L249-R253 PolarHBondContact O-N 2.95Å
250L96.9Very high95.2Very high55 Ų55101.3 Ų101.329%0.28849%0.492SS..Hα-helixtrans-65.5-50.8173.6-60.7173.7000109.8V245 H247 R252 R253 D254V245-L250 HydrophobicContact CB-CD2 4.37Å; V245-L250 HydrophobicContact CG1-CD2 4.16Å; V245-L250 HydrophobicContact CG1-CG 4.25Å; H247-L250 WeakPolarHBondContact O-CB 3.49Å; H247-L250 PolarHBondContact O-N 2.96Å; L250-R252 VanDerWaalsContact C-N 3.26Å; L250-R252 PolarHBondContact O-N 3.4Å; L250-R253 WeakPolarHBondContact O-CB 3.33Å; L250-R253 PolarHBondContact O-N 2.69Å; L250-R253 VanDerWaalsContact O-N 3.12Å; L250-D254 VanDerWaalsContact O-CG 3.25Å; L250-D254 PolarHBondContact O-N 2.96Å
251E97.8Very high95.4Very high98 Ų98103 Ų10346%0.45849%0.494SS..Hα-helixtrans-55.4-43175.2-66.9177.614900111.5H247 D254 L255H247-E251 VanDerWaalsContact CD2-CD 3.47Å; H247-E251 IonicContact CD2-OE1 3.63Å; H247-E251 PolarHBondContact CD2-OE1 3.45Å; H247-E251 IonicContact NE2-OE1 2.69Å; H247-E251 PolarHBondContact NE2-OE1 2.93Å; H247-E251 VanDerWaalsContact NE2-OE1 3.08Å; H247-E251 PolarHBondContact O-N 3.42Å; E251-D254 PolarHBondContact O-N 3.08Å; E251-L255 VanDerWaalsContact O-CG 3.32Å; E251-L255 WeakPolarHBondContact O-CG 3.33Å; E251-L255 PolarHBondContact O-N 3.24Å
252R98.3Very high95.6Very high132 Ų132100 Ų10050%0.49849%0.489SS..Hα-helixtrans-63.8-41.9177.8-177.9167.6-64.7-168-1.3113Y248 L249 L250 D254 L255 W256Y248-R252 WeakPolarHBondContact O-CB 3.49Å; Y248-R252 PolarHBondContact O-N 2.88Å; L249-R252 PolarHBondContact O-N 3.23Å; L250-R252 VanDerWaalsContact C-N 3.26Å; L250-R252 PolarHBondContact O-N 3.4Å; R252-D254 VanDerWaalsContact C-N 3.3Å; R252-L255 PolarHBondContact O-N 3.34Å; R252-W256 HydrophobicContact CG-CD2 4.29Å; R252-W256 HydrophobicContact CG-CH2 4.46Å; R252-W256 HydrophobicContact CG-CZ2 4.08Å; R252-W256 PolarHBondContact O-N 3.45Å
253R97.6Very high95.5Very high129 Ų129100.2 Ų100.249%0.48749%0.486SS..Hα-helixtrans-60.6-45.1175.4-176.8-164.468.1-173.3-2.1110.3L249 L250 L255 W256 Q257L249-R253 PolarHBondContact O-N 2.95Å; L250-R253 WeakPolarHBondContact O-CB 3.33Å; L250-R253 PolarHBondContact O-N 2.69Å; L250-R253 VanDerWaalsContact O-N 3.12Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 2.81Å; R253-W256 PolarHBondContact O-N 3.07Å; R253-Q257 WeakPolarHBondContact O-CG 3.44Å; R253-Q257 PolarHBondContact O-N 3.06Å
254D97.5Very high95.2Very high54 Ų54104 Ų10429%0.28948%0.48SS..Hα-helixtrans-68-36.5-177.8-61-7.1000111.1L250 E251 R252 Q257 R258L250-D254 VanDerWaalsContact O-CG 3.25Å; L250-D254 PolarHBondContact O-N 2.96Å; E251-D254 PolarHBondContact O-N 3.08Å; R252-D254 VanDerWaalsContact C-N 3.3Å; D254-Q257 PolarHBondContact O-N 2.98Å; D254-R258 WeakPolarHBondContact O-CG 3.46Å; D254-R258 PolarHBondContact O-N 3.2Å
255L97.9Very high94.7Very high94 Ų94105 Ų10549%0.49249%0.485SS..Hα-helixtrans-60.4-47.2170.6-74.1172.3000112E251 R252 R253 Q257 R258 E259E251-L255 VanDerWaalsContact O-CG 3.32Å; E251-L255 WeakPolarHBondContact O-CG 3.33Å; E251-L255 PolarHBondContact O-N 3.24Å; R252-L255 PolarHBondContact O-N 3.34Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 2.81Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.48Å; L255-R258 PolarHBondContact O-N 2.8Å; L255-E259 WeakPolarHBondContact O-CG 3.37Å; L255-E259 PolarHBondContact O-N 3.12Å
256W96.9Very high94.2Very high165 Ų165106.1 Ų106.163%0.62550%0.496SS*.Hα-helixtrans-62.7-36.9176.8-73.1-16.2000113R252 R253 A260R252-W256 HydrophobicContact CG-CD2 4.29Å; R252-W256 HydrophobicContact CG-CH2 4.46Å; R252-W256 HydrophobicContact CG-CZ2 4.08Å; R252-W256 PolarHBondContact O-N 3.45Å; R253-W256 PolarHBondContact O-N 3.07Å; W256-A260 VanDerWaalsContact O-CB 3.25Å; W256-A260 WeakPolarHBondContact O-CB 3.34Å; W256-A260 PolarHBondContact O-N 2.69Å
257Q97.5Very high93.4Very high97 Ų97109.5 Ų109.545%0.45351%0.506SS..Hα-helixtrans-62.1-49.3174.1-74.3174.3-15.400110.9R253 D254 L255 E259 A260 E261R253-Q257 WeakPolarHBondContact O-CG 3.44Å; R253-Q257 PolarHBondContact O-N 3.06Å; D254-Q257 PolarHBondContact O-N 2.98Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.48Å; Q257-E259 PolarHBondContact O-N 3.04Å; Q257-A260 PolarHBondContact O-N 3.08Å; Q257-E261 WeakPolarHBondContact O-CG 3.37Å; Q257-E261 PolarHBondContact O-N 2.95Å
258R96.9Very high92.5Very high166 Ų166108.1 Ų108.163%0.62651%0.509SS*.Hα-helixtrans-60.8-43.6177.4-70172.9-174.7174.53.8112.5D254 L255 A260 E261 A262D254-R258 WeakPolarHBondContact O-CG 3.46Å; D254-R258 PolarHBondContact O-N 3.2Å; L255-R258 PolarHBondContact O-N 2.8Å; R258-A260 VanDerWaalsContact C-N 3.35Å; R258-E261 PolarHBondContact O-N 3.46Å; R258-A262 WeakPolarHBondContact O-CB 3.35Å; R258-A262 PolarHBondContact O-N 3.37Å
259E95.4Very high91.5Very high88 Ų88103.8 Ų103.841%0.41149%0.494SS..Hα-helixtrans-62.9-41.6175.5-77.1-178.6-156.100112L255 Q257 A262 R263L255-E259 WeakPolarHBondContact O-CG 3.37Å; L255-E259 PolarHBondContact O-N 3.12Å; Q257-E259 PolarHBondContact O-N 3.04Å; E259-A262 PolarHBondContact O-N 3.36Å; E259-R263 WeakPolarHBondContact O-CB 3.5Å; E259-R263 VanDerWaalsContact O-CG 3.26Å; E259-R263 WeakPolarHBondContact O-CG 3.41Å; E259-R263 PolarHBondContact O-N 3.44Å; E259-R263 IonicContact OE2-CZ 2.69Å; E259-R263 IonicContact OE2-NH2 3.98Å; E259-R263 PolarHBondContact OE2-NH2 3.19Å
260A93.6Very high90.6Very high41 Ų41106.8 Ų106.834%0.33952%0.519SS..Hα-helixtrans-65.8-40177.600000111.7W256 Q257 R258 R263 K264W256-A260 VanDerWaalsContact O-CB 3.25Å; W256-A260 WeakPolarHBondContact O-CB 3.34Å; W256-A260 PolarHBondContact O-N 2.69Å; Q257-A260 PolarHBondContact O-N 3.08Å; R258-A260 VanDerWaalsContact C-N 3.35Å; A260-R263 PolarHBondContact O-N 3.44Å; A260-K264 VanDerWaalsContact O-CG 3.31Å; A260-K264 WeakPolarHBondContact O-CG 3.46Å; A260-K264 PolarHBondContact O-N 3.34Å
261E93.8Very high89.9Confident110 Ų110107.4 Ų107.451%0.51453%0.532SS..Hα-helixtrans-63.9-47173.5-73.5171-172.800111.5Q257 R258 R263 K264 Q265Q257-E261 WeakPolarHBondContact O-CG 3.37Å; Q257-E261 PolarHBondContact O-N 2.95Å; R258-E261 PolarHBondContact O-N 3.46Å; E261-R263 VanDerWaalsContact C-N 3.31Å; E261-R263 PolarHBondContact O-N 3.34Å; E261-K264 PolarHBondContact O-N 2.98Å; E261-K264 VanDerWaalsContact O-N 3.12Å; E261-Q265 WeakPolarHBondContact O-CB 3.48Å; E261-Q265 VanDerWaalsContact O-CG 3.31Å; E261-Q265 WeakPolarHBondContact O-CG 3.37Å; E261-Q265 PolarHBondContact O-N 3.46Å
262A92.3Very high89.2Confident51 Ų51106 Ų10642%0.42153%0.526SS..Hα-helixtrans-60.1-41.4176.100000111.8R258 E259 Q265 S266R258-A262 WeakPolarHBondContact O-CB 3.35Å; R258-A262 PolarHBondContact O-N 3.37Å; E259-A262 PolarHBondContact O-N 3.36Å; A262-Q265 PolarHBondContact O-N 2.98Å; A262-S266 WeakPolarHBondContact O-CB 3.32Å; A262-S266 PolarHBondContact O-N 3.04Å; A262-S266 PolarHBondContact O-OG 2.93Å
263R90.2Very high88.7Confident146 Ų146102.3 Ų102.355%0.55152%0.519SS*.Hα-helixtrans-62.7-42.4173.4-74.9176.3-170.2139.816.5112E259 A260 E261 Q265 S266 Q267E259-R263 WeakPolarHBondContact O-CB 3.5Å; E259-R263 VanDerWaalsContact O-CG 3.26Å; E259-R263 WeakPolarHBondContact O-CG 3.41Å; E259-R263 PolarHBondContact O-N 3.44Å; E259-R263 IonicContact OE2-CZ 2.69Å; E259-R263 IonicContact OE2-NH2 3.98Å; E259-R263 PolarHBondContact OE2-NH2 3.19Å; A260-R263 PolarHBondContact O-N 3.44Å; E261-R263 VanDerWaalsContact C-N 3.31Å; E261-R263 PolarHBondContact O-N 3.34Å; R263-Q265 VanDerWaalsContact C-N 3.33Å; R263-S266 PolarHBondContact O-N 3.49Å; R263-S266 PolarHBondContact O-OG 3.29Å; R263-Q267 WeakPolarHBondContact O-CB 3.2Å; R263-Q267 WeakPolarHBondContact O-CG 3.47Å; R263-Q267 PolarHBondContact O-N 3.47Å
264K85.4Confident88.2Confident157 Ų157102.1 Ų102.168%0.68353%0.534SS*.Hα-helixtrans-66.9-34.7176.7-74.8176.2-179-179.10112.4A260 E261A260-K264 VanDerWaalsContact O-CG 3.31Å; A260-K264 WeakPolarHBondContact O-CG 3.46Å; A260-K264 PolarHBondContact O-N 3.34Å; E261-K264 PolarHBondContact O-N 2.98Å; E261-K264 VanDerWaalsContact O-N 3.12Å
265Q82.9Confident87.7Confident161 Ų161102.3 Ų102.375%0.75255%0.549SS*.Hα-helixtrans-74.5-36.3177.1-71.517610.800112.4E261 A262 R263E261-Q265 WeakPolarHBondContact O-CB 3.48Å; E261-Q265 VanDerWaalsContact O-CG 3.31Å; E261-Q265 WeakPolarHBondContact O-CG 3.37Å; E261-Q265 PolarHBondContact O-N 3.46Å; A262-Q265 PolarHBondContact O-N 2.98Å; R263-Q265 VanDerWaalsContact C-N 3.33Å
266S83.1Confident87.4Confident91 Ų91100.7 Ų100.764%0.63654%0.539SS*.Hα-helixtrans-80.1-25178.670.30000113.2A262 R263 P268A262-S266 WeakPolarHBondContact O-CB 3.32Å; A262-S266 PolarHBondContact O-N 3.04Å; A262-S266 PolarHBondContact O-OG 2.93Å; R263-S266 PolarHBondContact O-N 3.49Å; R263-S266 PolarHBondContact O-OG 3.29Å; S266-P268 VanDerWaalsContact O-CD 3.31Å; S266-P268 WeakPolarHBondContact O-CD 3.38Å
267Q78.3Confident87.1Confident130 Ų13096 Ų9661%0.60753%0.529SS*.SBendtrans-62117.6172.2-83.6174.214.700109.2R263R263-Q267 WeakPolarHBondContact O-CB 3.2Å; R263-Q267 WeakPolarHBondContact O-CG 3.47Å; R263-Q267 PolarHBondContact O-N 3.47Å
268P76.5Confident86.8Confident101 Ų10197 Ų9766%0.65653%0.528SS*.PPolyproline II helixtrans-61.5145.2174.526.6-33000109.3S266S266-P268 VanDerWaalsContact O-CD 3.31Å; S266-P268 WeakPolarHBondContact O-CD 3.38Å
269D75.5Confident86.6Confident40 Ų4090.3 Ų90.321%0.21450%0.504CS..PPolyproline II helixtrans-54.9123.7179.8-168.4-22.6000108.8A271 M272 K339D269-A271 PolarHBondContact O-N 3.4Å; D269-A271 PolarHBondContact OD1-N 2.92Å; D269-M272 HydrophobicContact CB-CB 4.29Å; D269-M272 HydrophobicContact CB-CE 4.42Å; D269-M272 VanDerWaalsContact O-CB 3.22Å; D269-M272 WeakPolarHBondContact O-CB 3.47Å; D269-M272 PolarHBondContact O-N 3.16Å; D269-K339 IonicContact OD1-NZ 3.98Å; D269-K339 IonicContact OD2-NZ 2.69Å; D269-K339 PolarHBondContact OD2-NZ 3.42Å
270P78.9Confident86.6Confident137 Ų13788.9 Ų88.989%0.8950%0.503SS*.THydrogen-bonded Turntrans-59.5-19.1-177.423-35.2000113.3
271A80.9Confident86.6Confident68 Ų6891.7 Ų91.756%0.56251%0.509SS*.THydrogen-bonded Turntrans-87.1-4.3175.500000114.2D269 P273D269-A271 PolarHBondContact O-N 3.4Å; D269-A271 PolarHBondContact OD1-N 2.92Å; A271-P273 VanDerWaalsContact O-CD 3.26Å; A271-P273 WeakPolarHBondContact O-CD 3.06Å
272M83.9Confident86.7Confident69 Ų6991.9 Ų91.934%0.3451%0.513SS..PPolyproline II helixtrans-76.9116.3-178.2-172-179.8-63.800110.6D269 R278 F341D269-M272 HydrophobicContact CB-CB 4.29Å; D269-M272 HydrophobicContact CB-CE 4.42Å; D269-M272 VanDerWaalsContact O-CB 3.22Å; D269-M272 WeakPolarHBondContact O-CB 3.47Å; D269-M272 PolarHBondContact O-N 3.16Å; M272-R278 HydrophobicContact CE-CB 4.28Å; M272-F341 HydrophobicContact CB-CD1 4.36Å; M272-F341 HydrophobicContact CB-CE1 3.87Å; M272-F341 HydrophobicContact CB-CZ 4.23Å; M272-F341 HydrophobicContact CE-CD1 4.35Å; M272-F341 HydrophobicContact CE-CE1 3.84Å; M272-F341 HydrophobicContact CG-CD1 3.88Å; M272-F341 HydrophobicContact CG-CE1 3.82Å
273P87.3Confident86.9Confident53 Ų5394.1 Ų94.134%0.34452%0.515SS..PPolyproline II helixtrans-67.5150.7176.5-17.832.5000111.7A271 H276A271-P273 VanDerWaalsContact O-CD 3.26Å; A271-P273 WeakPolarHBondContact O-CD 3.06Å; P273-H276 HydrophobicContact CB-CB 4.45Å; P273-H276 WeakPolarHBondContact O-CB 3.08Å; P273-H276 PolarHBondContact O-N 2.95Å
274P87.4Confident87.2Confident125 Ų12588.1 Ų88.181%0.81249%0.493SS*.THydrogen-bonded Turntrans-60.5141.917725.6-33.5000111.2H276P274-H276 PolarHBondContact O-N 3.21Å; P274-H276 PolarHBondContact O-ND1 3.41Å
275G87.9Confident87.7Confident58 Ų5884.4 Ų84.460%0.59848%0.48SS*.THydrogen-bonded Turntrans7110-177.800000115M344G275-M344 PolarHBondContact O-N 2.87Å
276H90.8Very high88.4Confident61 Ų6181.9 Ų81.928%0.28247%0.468SS..EExtended strand (participates in β ladder)trans-114.4148175.8-62.663.4000111.1P273 P274 F341 V342P273-H276 HydrophobicContact CB-CB 4.45Å; P273-H276 WeakPolarHBondContact O-CB 3.08Å; P273-H276 PolarHBondContact O-N 2.95Å; P274-H276 PolarHBondContact O-N 3.21Å; P274-H276 PolarHBondContact O-ND1 3.41Å; H276-F341 HydrophobicContact CB-CB 4.07Å; H276-V342 CarbonylContact C-O 3.54Å; H276-V342 VanDerWaalsContact CA-O 3.25Å; H276-V342 WeakPolarHBondContact CA-O 3.48Å
277T90.8Very high89.1Confident67 Ų6779.3 Ų79.341%0.41145%0.449SS..EExtended strand (participates in β ladder)trans-119.3143176.6-59.30000109.9M279 F341 V342 M344T277-M279 PolarHBondContact O-N 3.42Å; T277-F341 CarbonylContact O-C 3.56Å; T277-F341 WeakPolarHBondContact O-CA 3.48Å; T277-V342 PolarHBondContact N-O 3.11Å; T277-V342 PolarHBondContact O-N 3.07Å; T277-M344 WeakPolarHBondContact OG1-CG 3.38Å; T277-M344 PolarHBondContact OG1-SD 3.4Å
278R90.2Very high90Very high117 Ų11774.5 Ų74.544%0.44243%0.427SS..EExtended strand (participates in β ladder)trans-66125.3174.1-179.4-179.8171.6-171.6-2.9109.8M272 F341M272-R278 HydrophobicContact CE-CB 4.28Å; R278-F341 HydrophobicContact CB-CD1 4Å; R278-F341 HydrophobicContact CB-CE1 3.93Å; R278-F341 HydrophobicContact CG-CE1 4.43Å
279M92.8Very high91Very high25 Ų2573.1 Ų73.112%0.12342%0.417CS..PPolyproline II helixtrans-65.7131.4173-165.6-178.4-169.500110.4T277 Q283 R284 T287 F335 V340 V342T277-M279 PolarHBondContact O-N 3.42Å; M279-Q283 HydrophobicContact CE-CB 3.76Å; M279-Q283 WeakPolarHBondContact CE-O 3.14Å; M279-Q283 HydrophobicContact CG-CB 4.32Å; M279-R284 HydrophobicContact CG-CB 4.43Å; M279-R284 HydrophobicContact SD-CB 3.93Å; M279-T287 HydrophobicContact CE-CG2 3.66Å; M279-F335 HydrophobicContact CE-CE1 4.15Å; M279-F335 HydrophobicContact SD-CD1 4.07Å; M279-F335 HydrophobicContact SD-CE1 3.57Å; M279-F335 VanDerWaalsContact SD-CE1 3.57Å; M279-V340 HydrophobicContact CB-CB 4.31Å; M279-V340 PolarHBondContact N-O 3.07Å; M279-V342 HydrophobicContact CB-CG2 4.05Å; M279-V342 HydrophobicContact CG-CG2 4.34Å; M279-V342 HydrophobicContact SD-CG2 4.45Å
280P95.3Very high92.1Very high59 Ų5977.3 Ų77.338%0.38343%0.433SS..PPolyproline II helixtrans-55.4143171.4-24.533.6000111.7N282 Q283 R284P280-N282 VanDerWaalsContact C-N 3.33Å; P280-N282 PolarHBondContact O-N 3.29Å; P280-Q283 HydrophobicContact CB-CB 4.43Å; P280-Q283 HydrophobicContact CB-CG 4.25Å; P280-Q283 HydrophobicContact CG-CG 4.43Å; P280-Q283 PolarHBondContact O-N 3.19Å; P280-R284 PolarHBondContact O-N 3.06Å
281E94.7Very high93Very high100 Ų10072.3 Ų72.347%0.46740%0.398SS..Hα-helixtrans-62.8-40.1-174.5176.9155.8-143.800112.9Q283 R284 L285E281-Q283 PolarHBondContact O-N 2.81Å; E281-R284 WeakPolarHBondContact O-CB 3.21Å; E281-R284 PolarHBondContact O-N 2.84Å; E281-R284 IonicContact OE1-NH2 2.81Å; E281-R284 PolarHBondContact OE1-NH2 3.13Å; E281-R284 VanDerWaalsContact OE1-NH2 3.17Å; E281-L285 HydrophobicContact CG-CD1 4.12Å; E281-L285 HydrophobicContact CG-CG 4.39Å; E281-L285 WeakPolarHBondContact O-CG 3.36Å; E281-L285 PolarHBondContact O-N 2.89Å
282N96.1Very high93.8Very high113 Ų11372.9 Ų72.960%0.60439%0.392SS*.Hα-helixtrans-59.3-49.2177.33.1-40.3000110.7P280 R284 L285 E286P280-N282 VanDerWaalsContact C-N 3.33Å; P280-N282 PolarHBondContact O-N 3.29Å; N282-R284 VanDerWaalsContact C-N 3.32Å; N282-R284 PolarHBondContact O-N 2.9Å; N282-L285 PolarHBondContact O-N 3.49Å; N282-E286 WeakPolarHBondContact O-CG 3.25Å; N282-E286 PolarHBondContact O-N 2.84Å
283Q96Very high94.5Very high99 Ų9975 Ų7546%0.46340%0.401SS..Hα-helixtrans-63.6-39177.1-64.5-180-2.400111.5M279 P280 E281 L285 E286 T287M279-Q283 HydrophobicContact CE-CB 3.76Å; M279-Q283 WeakPolarHBondContact CE-O 3.14Å; M279-Q283 HydrophobicContact CG-CB 4.32Å; P280-Q283 HydrophobicContact CB-CB 4.43Å; P280-Q283 HydrophobicContact CB-CG 4.25Å; P280-Q283 HydrophobicContact CG-CG 4.43Å; P280-Q283 PolarHBondContact O-N 3.19Å; E281-Q283 PolarHBondContact O-N 2.81Å; Q283-L285 PolarHBondContact O-N 2.84Å; Q283-E286 PolarHBondContact O-N 3.26Å; Q283-T287 PolarHBondContact O-N 3.28Å; Q283-T287 PolarHBondContact O-OG1 2.89Å
284R96.3Very high95Very high20 Ų2074.4 Ų74.48%0.07540%0.398CS..Hα-helixtrans-61.1-42.8176180-166.966.980.7-2.2111.9M279 P280 E281 N282 T287 L288 F335 R337 V340M279-R284 HydrophobicContact CG-CB 4.43Å; M279-R284 HydrophobicContact SD-CB 3.93Å; P280-R284 PolarHBondContact O-N 3.06Å; E281-R284 WeakPolarHBondContact O-CB 3.21Å; E281-R284 PolarHBondContact O-N 2.84Å; E281-R284 IonicContact OE1-NH2 2.81Å; E281-R284 PolarHBondContact OE1-NH2 3.13Å; E281-R284 VanDerWaalsContact OE1-NH2 3.17Å; N282-R284 VanDerWaalsContact C-N 3.32Å; N282-R284 PolarHBondContact O-N 2.9Å; R284-T287 PolarHBondContact O-N 2.98Å; R284-T287 PolarHBondContact O-OG1 3.17Å; R284-L288 WeakPolarHBondContact O-CB 3.44Å; R284-L288 PolarHBondContact O-N 2.79Å; R284-F335 HydrophobicContact CG-CD1 4.22Å; R284-F335 PolarHBondContact NH1-O 3.38Å; R284-R337 WeakPolarHBondContact CD-O 3.47Å; R284-V340 HydrophobicContact CG-CG2 4.08Å
285L97Very high95.5Very high79 Ų7970.6 Ų70.641%0.41437%0.369SS..Hα-helixtrans-67.4-40.8177.8-70.3173.7000111.1E281 N282 Q283 L288 T289E281-L285 HydrophobicContact CG-CD1 4.12Å; E281-L285 HydrophobicContact CG-CG 4.39Å; E281-L285 WeakPolarHBondContact O-CG 3.36Å; E281-L285 PolarHBondContact O-N 2.89Å; N282-L285 PolarHBondContact O-N 3.49Å; Q283-L285 PolarHBondContact O-N 2.84Å; L285-L288 PolarHBondContact O-N 3.47Å; L285-T289 WeakPolarHBondContact O-CG2 3.33Å; L285-T289 PolarHBondContact O-N 3.09Å; L285-T289 PolarHBondContact O-OG1 3.06Å
286E97.5Very high96Very high107 Ų10769.9 Ų69.950%0.536%0.355SS..Hα-helixtrans-62.7-39.9174.7-72.8174.8-160.300113N282 Q283 T289 K290N282-E286 WeakPolarHBondContact O-CG 3.25Å; N282-E286 PolarHBondContact O-N 2.84Å; Q283-E286 PolarHBondContact O-N 3.26Å; E286-T289 PolarHBondContact O-OG1 3.04Å; E286-K290 WeakPolarHBondContact O-CD 3.24Å; E286-K290 VanDerWaalsContact O-CG 3.26Å; E286-K290 WeakPolarHBondContact O-CG 3.28Å; E286-K290 PolarHBondContact O-N 2.95Å
287T97Very high96.3Very high38 Ų3872 Ų7223%0.23337%0.365CS..Hα-helixtrans-69.7-39.9174.954.20000111.5M279 Q283 R284 T289 K290 L291 F335M279-T287 HydrophobicContact CE-CG2 3.66Å; Q283-T287 PolarHBondContact O-N 3.28Å; Q283-T287 PolarHBondContact O-OG1 2.89Å; R284-T287 PolarHBondContact O-N 2.98Å; R284-T287 PolarHBondContact O-OG1 3.17Å; T287-T289 PolarHBondContact O-N 3.42Å; T287-K290 PolarHBondContact O-N 3.38Å; T287-L291 VanDerWaalsContact O-CG 3.29Å; T287-L291 WeakPolarHBondContact O-CG 3.4Å; T287-L291 PolarHBondContact O-N 3.05Å; T287-F335 WeakPolarHBondContact OG1-CD1 3.46Å
288L97.6Very high96.6Very high29 Ų2969.7 Ų69.715%0.15235%0.35CS..Hα-helixtrans-59.9-44.6175.9-178.163.7000111.8R284 L285 L291 L292 I332 F335R284-L288 WeakPolarHBondContact O-CB 3.44Å; R284-L288 PolarHBondContact O-N 2.79Å; L285-L288 PolarHBondContact O-N 3.47Å; L288-L291 PolarHBondContact O-N 2.86Å; L288-L292 HydrophobicContact CG-CD1 4.26Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 2.93Å; L288-I332 HydrophobicContact CD1-CG2 4.06Å; L288-F335 HydrophobicContact CB-CB 4.34Å; L288-F335 HydrophobicContact CD1-CB 4.21Å
289T98.1Very high96.9Very high72 Ų7267.5 Ų67.544%0.44235%0.347SS..Hα-helixtrans-64.3-42.1177.854.70000111.8L285 E286 T287 L291 L292 Q293L285-T289 WeakPolarHBondContact O-CG2 3.33Å; L285-T289 PolarHBondContact O-N 3.09Å; L285-T289 PolarHBondContact O-OG1 3.06Å; E286-T289 PolarHBondContact O-OG1 3.04Å; T287-T289 PolarHBondContact O-N 3.42Å; T289-L291 VanDerWaalsContact C-N 3.35Å; T289-L291 PolarHBondContact O-N 3.34Å; T289-L292 PolarHBondContact O-N 3.15Å; T289-Q293 VanDerWaalsContact O-CG 3.3Å; T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.12Å
290K98.1Very high97.1Very high127 Ų12774.2 Ų74.255%0.55237%0.371SS*.Hα-helixtrans-60.6-42.1174.3-71.7169.1-175.4171.90112.2E286 T287 Q293 S294E286-K290 WeakPolarHBondContact O-CD 3.24Å; E286-K290 VanDerWaalsContact O-CG 3.26Å; E286-K290 WeakPolarHBondContact O-CG 3.28Å; E286-K290 PolarHBondContact O-N 2.95Å; T287-K290 PolarHBondContact O-N 3.38Å; K290-Q293 PolarHBondContact O-N 3.4Å; K290-S294 WeakPolarHBondContact O-CB 3.3Å; K290-S294 PolarHBondContact O-N 3.03Å
291L98.1Very high97.1Very high32 Ų3276 Ų7617%0.16837%0.374CS..Hα-helixtrans-66-41.9177.7-72.1169.4000112.1T287 L288 T289 Q293 S294 Q295 V328 A331 I332 F335T287-L291 VanDerWaalsContact O-CG 3.29Å; T287-L291 WeakPolarHBondContact O-CG 3.4Å; T287-L291 PolarHBondContact O-N 3.05Å; L288-L291 PolarHBondContact O-N 2.86Å; T289-L291 VanDerWaalsContact C-N 3.35Å; T289-L291 PolarHBondContact O-N 3.34Å; L291-Q293 VanDerWaalsContact C-N 3.33Å; L291-Q293 PolarHBondContact O-N 3Å; L291-S294 PolarHBondContact O-N 3.36Å; L291-Q295 WeakPolarHBondContact O-CB 3.4Å; L291-Q295 PolarHBondContact O-N 3.02Å; L291-V328 HydrophobicContact CB-CG1 4.48Å; L291-V328 HydrophobicContact CD2-CG1 4.34Å; L291-V328 WeakPolarHBondContact O-CG1 3.18Å; L291-A331 HydrophobicContact CD1-CB 3.75Å; L291-A331 HydrophobicContact CD2-CB 3.93Å; L291-I332 HydrophobicContact CB-CD1 4.3Å; L291-I332 HydrophobicContact CB-CG1 3.64Å; L291-I332 HydrophobicContact CD1-CG1 4.39Å; L291-F335 HydrophobicContact CD1-CB 4.45Å; L291-F335 HydrophobicContact CD1-CD2 3.42Å; L291-F335 VanDerWaalsContact CD1-CD2 3.42Å; L291-F335 HydrophobicContact CD1-CE2 4Å; L291-F335 HydrophobicContact CD1-CG 4.21Å
292L98.1Very high97Very high80 Ų8073.4 Ų73.442%0.41936%0.363SS..Hα-helixtrans-63.1-39.8174.8-70.9170.2000111.9L288 T289 Q295 S296 I332L288-L292 HydrophobicContact CG-CD1 4.26Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 2.93Å; T289-L292 PolarHBondContact O-N 3.15Å; L292-Q295 PolarHBondContact O-N 3.18Å; L292-S296 PolarHBondContact O-N 3.5Å; L292-I332 HydrophobicContact CD2-CD1 4.03Å; L292-I332 HydrophobicContact CD2-CG2 4.4Å
293Q98.1Very high96.9Very high113 Ų11373.9 Ų73.953%0.52837%0.37SS..Hα-helixtrans-62-47173.4-72.8172.3-1.700111.1T289 K290 L291 Q295 S296 Q297T289-Q293 VanDerWaalsContact O-CG 3.3Å; T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.12Å; K290-Q293 PolarHBondContact O-N 3.4Å; L291-Q293 VanDerWaalsContact C-N 3.33Å; L291-Q293 PolarHBondContact O-N 3Å; Q293-Q295 PolarHBondContact O-N 2.98Å; Q293-S296 PolarHBondContact O-N 3.49Å; Q293-S296 PolarHBondContact O-OG 2.92Å; Q293-Q297 WeakPolarHBondContact O-CG 3.45Å; Q293-Q297 PolarHBondContact O-N 3.47Å
294S98.1Very high96.7Very high42 Ų4276 Ų7629%0.29438%0.384SS..Hα-helixtrans-61.2-43.2177-179.80000112.3K290 L291 S296 Q297 L298K290-S294 WeakPolarHBondContact O-CB 3.3Å; K290-S294 PolarHBondContact O-N 3.03Å; L291-S294 PolarHBondContact O-N 3.36Å; S294-S296 VanDerWaalsContact C-N 3.33Å; S294-S296 PolarHBondContact O-N 2.85Å; S294-Q297 WeakPolarHBondContact O-CB 3.37Å; S294-Q297 PolarHBondContact O-N 3.3Å; S294-Q297 VanDerWaalsContact O-N 3.16Å; S294-L298 WeakPolarHBondContact O-CG 3.3Å; S294-L298 PolarHBondContact O-N 3.29Å
295Q97.8Very high96.5Very high44 Ų4477 Ų7721%0.20639%0.391CS..Hα-helixtrans-57.5-47.3174.2-171.3-17137.300110.8L291 L292 Q293 Q297 L298 L299 L325 V328 E329 I332L291-Q295 WeakPolarHBondContact O-CB 3.4Å; L291-Q295 PolarHBondContact O-N 3.02Å; L292-Q295 PolarHBondContact O-N 3.18Å; Q293-Q295 PolarHBondContact O-N 2.98Å; Q295-Q297 VanDerWaalsContact C-N 3.27Å; Q295-Q297 PolarHBondContact O-N 3.3Å; Q295-L298 PolarHBondContact O-N 2.99Å; Q295-L299 HydrophobicContact CG-CD1 4.15Å; Q295-L299 WeakPolarHBondContact O-CB 3.48Å; Q295-L299 VanDerWaalsContact O-CG 3.31Å; Q295-L299 WeakPolarHBondContact O-CG 3.2Å; Q295-L299 PolarHBondContact O-N 3.05Å; Q295-L325 HydrophobicContact CG-CD1 3.85Å; Q295-V328 HydrophobicContact CB-CG1 3.89Å; Q295-E329 PolarHBondContact NE2-OE1 2.97Å; Q295-I332 HydrophobicContact CB-CD1 4.08Å; Q295-I332 HydrophobicContact CG-CD1 4.44Å
296S97.8Very high96.1Very high43 Ų4378 Ų7830%0.30140%0.401SS..Hα-helixtrans-62.6-34.117979.30000112.7L292 Q293 S294 R300L292-S296 PolarHBondContact O-N 3.5Å; Q293-S296 PolarHBondContact O-N 3.49Å; Q293-S296 PolarHBondContact O-OG 2.92Å; S294-S296 VanDerWaalsContact C-N 3.33Å; S294-S296 PolarHBondContact O-N 2.85Å; S296-R300 WeakPolarHBondContact O-CD 3.24Å; S296-R300 WeakPolarHBondContact O-CG 3.49Å; S296-R300 PolarHBondContact O-N 3.35Å; S296-R300 VanDerWaalsContact O-N 3.11Å
297Q97.4Very high95.2Very high107 Ų10778.2 Ų78.250%0.542%0.421SS..Hα-helixtrans-70.4-48176.1-71.4169.5-7.200111.3Q293 S294 Q295 L299 R300 E301Q293-Q297 WeakPolarHBondContact O-CG 3.45Å; Q293-Q297 PolarHBondContact O-N 3.47Å; S294-Q297 WeakPolarHBondContact O-CB 3.37Å; S294-Q297 PolarHBondContact O-N 3.3Å; S294-Q297 VanDerWaalsContact O-N 3.16Å; Q295-Q297 VanDerWaalsContact C-N 3.27Å; Q295-Q297 PolarHBondContact O-N 3.3Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 2.91Å; Q297-R300 WeakPolarHBondContact O-CB 3.32Å; Q297-R300 PolarHBondContact O-N 2.76Å; Q297-R300 VanDerWaalsContact O-N 3.12Å; Q297-E301 WeakPolarHBondContact O-CG 3.4Å; Q297-E301 PolarHBondContact O-N 3.46Å
298L96.9Very high94.2Very high18 Ų1879 Ų799%0.09444%0.437CS..Hα-helixtrans-60.9-40.4177.5-69.6172.7000112S294 Q295 E301 L302 L321 K324 L325 V328S294-L298 WeakPolarHBondContact O-CG 3.3Å; S294-L298 PolarHBondContact O-N 3.29Å; Q295-L298 PolarHBondContact O-N 2.99Å; L298-E301 PolarHBondContact O-N 2.93Å; L298-L302 WeakPolarHBondContact O-CB 3.23Å; L298-L302 PolarHBondContact O-N 3.32Å; L298-L321 HydrophobicContact CD2-CD2 3.76Å; L298-K324 HydrophobicContact CD1-CB 3.93Å; L298-K324 HydrophobicContact CD2-CB 4.28Å; L298-K324 HydrophobicContact CD2-CD 4.36Å; L298-L325 HydrophobicContact CB-CD1 4.17Å; L298-V328 HydrophobicContact CD1-CG2 4.02Å
299L96.4Very high92.8Very high70 Ų7078.5 Ų78.537%0.36644%0.437SS..Hα-helixtrans-64.5-40.3174.6-71.8175.5000112Q295 Q297 L302 V303 L325Q295-L299 HydrophobicContact CG-CD1 4.15Å; Q295-L299 WeakPolarHBondContact O-CB 3.48Å; Q295-L299 VanDerWaalsContact O-CG 3.31Å; Q295-L299 WeakPolarHBondContact O-CG 3.2Å; Q295-L299 PolarHBondContact O-N 3.05Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 2.91Å; L299-L302 PolarHBondContact O-N 3.3Å; L299-V303 WeakPolarHBondContact O-CB 3.25Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.39Å; L299-V303 PolarHBondContact O-N 3.28Å; L299-L325 HydrophobicContact CD2-CD1 3.92Å; L299-L325 HydrophobicContact CD2-CD2 3.78Å; L299-L325 HydrophobicContact CG-CD1 3.96Å
300R96.8Very high91.8Very high167 Ų16781.5 Ų81.563%0.6345%0.451SS*.Hα-helixtrans-61.6-45.5173.8-73.7167.9-168.8-174.44.3111S296 Q297 L302 V303 L304S296-R300 WeakPolarHBondContact O-CD 3.24Å; S296-R300 WeakPolarHBondContact O-CG 3.49Å; S296-R300 PolarHBondContact O-N 3.35Å; S296-R300 VanDerWaalsContact O-N 3.11Å; Q297-R300 WeakPolarHBondContact O-CB 3.32Å; Q297-R300 PolarHBondContact O-N 2.76Å; Q297-R300 VanDerWaalsContact O-N 3.12Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 2.65Å; R300-V303 PolarHBondContact O-N 2.88Å; R300-L304 WeakPolarHBondContact O-CB 3.28Å; R300-L304 VanDerWaalsContact O-CG 3.23Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 2.91Å
301E95.1Very high91.4Very high97 Ų9778.8 Ų78.845%0.45345%0.447SS..Hα-helixtrans-61.6-41.8177.3-72.1178.7-170.500112Q297 L298 V303 L304 L305 L321Q297-E301 WeakPolarHBondContact O-CG 3.4Å; Q297-E301 PolarHBondContact O-N 3.46Å; L298-E301 PolarHBondContact O-N 2.93Å; E301-V303 VanDerWaalsContact C-N 3.35Å; E301-V303 PolarHBondContact O-N 3.4Å; E301-L304 PolarHBondContact O-N 2.83Å; E301-L305 PolarHBondContact O-N 3.32Å; E301-L321 HydrophobicContact CB-CD1 4.15Å; E301-L321 HydrophobicContact CB-CD2 4.38Å; E301-L321 WeakPolarHBondContact OE2-CD2 3.45Å
302L93.1Very high91.1Very high45 Ų4583.8 Ų83.824%0.23647%0.474CS..Hα-helixtrans-62.7-41.6176.5-170.572.7000111.7L298 L299 R300 L304 L305 R318 L321L298-L302 WeakPolarHBondContact O-CB 3.23Å; L298-L302 PolarHBondContact O-N 3.32Å; L299-L302 PolarHBondContact O-N 3.3Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 2.65Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L305 HydrophobicContact CD1-CD1 4.05Å; L302-L305 WeakPolarHBondContact O-CB 3.28Å; L302-L305 PolarHBondContact O-N 3.25Å; L302-R318 HydrophobicContact CD1-CG 3.97Å; L302-L321 HydrophobicContact CD1-CB 4.36Å; L302-L321 HydrophobicContact CD1-CD1 4.45Å
303V93.3Very high90.8Very high123 Ų12390.5 Ų90.575%0.74549%0.493SS*.Hα-helixtrans-68.7-31.5177.9169.80000112.1L299 R300 E301 L305L299-V303 WeakPolarHBondContact O-CB 3.25Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.39Å; L299-V303 PolarHBondContact O-N 3.28Å; R300-V303 PolarHBondContact O-N 2.88Å; E301-V303 VanDerWaalsContact C-N 3.35Å; E301-V303 PolarHBondContact O-N 3.4Å; V303-L305 VanDerWaalsContact C-N 3.26Å; V303-L305 PolarHBondContact O-N 2.93Å
304L92.8Very high90.4Very high143 Ų14386.2 Ų86.275%0.74948%0.477SS*.THydrogen-bonded Turntrans-77.3-7.7178.9-70.6170.4000113.7R300 E301 L302R300-L304 WeakPolarHBondContact O-CB 3.28Å; R300-L304 VanDerWaalsContact O-CG 3.23Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 2.91Å; E301-L304 PolarHBondContact O-N 2.83Å; L302-L304 VanDerWaalsContact C-N 3.33Å
305L90.4Very high90Very high42 Ų4288.9 Ų88.922%0.2249%0.485CS..SBendtrans-66.8139.1177.2-77.1167.2000111.8E301 L302 V303 A307 R318 L321E301-L305 PolarHBondContact O-N 3.32Å; L302-L305 HydrophobicContact CD1-CD1 4.05Å; L302-L305 WeakPolarHBondContact O-CB 3.28Å; L302-L305 PolarHBondContact O-N 3.25Å; V303-L305 VanDerWaalsContact C-N 3.26Å; V303-L305 PolarHBondContact O-N 2.93Å; L305-A307 PolarHBondContact O-N 3.43Å; L305-R318 HydrophobicContact CD1-CB 4.02Å; L305-R318 HydrophobicContact CD1-CG 4.2Å; L305-L321 HydrophobicContact CD1-CD1 4Å
306P89.7Confident89.8Confident99 Ų9990.4 Ų90.464%0.64350%0.501SS*.  trans-59.5137.6173.8-22.532.8000112.1G308P306-G308 VanDerWaalsContact C-N 3.25Å; P306-G308 PolarHBondContact O-N 3.07Å
307A78.3Confident89.6Confident111 Ų11192.3 Ų92.392%0.91751%0.505SS*.SBendtrans-62.1-29.4-178.200000113.7L305 A309L305-A307 PolarHBondContact O-N 3.43Å; A307-A309 PolarHBondContact O-N 3.42Å
308G75.6Confident89.4Confident55 Ų5593.5 Ų93.557%0.56751%0.505SS*.  trans-90.556.7175.800000113P306 D310P306-G308 VanDerWaalsContact C-N 3.25Å; P306-G308 PolarHBondContact O-N 3.07Å; G308-D310 PolarHBondContact O-N 3.49Å
309A67.8Low89.2Confident19 Ų1994.4 Ų94.416%0.15752%0.515CS..  trans-75.751.2-178.700000112.9A307 A314 Q315A307-A309 PolarHBondContact O-N 3.42Å; A309-A314 HydrophobicContact CB-CB 3.89Å; A309-Q315 WeakPolarHBondContact O-CG 3.47Å
310D78.4Confident89.2Confident135 Ų13595.4 Ų95.472%0.72252%0.517SS*.  trans-82.6-15-170.8-60.3-27.3000113.2G308G308-D310 PolarHBondContact O-N 3.49Å
311S90.1Very high89.1Confident69 Ų6987.6 Ų87.648%0.48349%0.488SS..SBendtrans-73.2139.1174.774.90000111.4R313 A314 Q315S311-R313 PolarHBondContact O-N 2.91Å; S311-A314 PolarHBondContact O-N 2.82Å; S311-A314 VanDerWaalsContact OG-CB 3.28Å; S311-A314 WeakPolarHBondContact OG-CB 3.31Å; S311-A314 PolarHBondContact OG-N 3.41Å; S311-Q315 PolarHBondContact O-N 2.83Å
312L91.3Very high89.2Confident138 Ų13885.9 Ų85.972%0.72348%0.482SS*.Hα-helixtrans-51.7-34.3176.3-70.2173.5000112.8S316L312-S316 WeakPolarHBondContact O-CB 3.49Å; L312-S316 PolarHBondContact O-N 3.37Å; L312-S316 PolarHBondContact O-OG 3.25Å
313R90.8Very high89.4Confident220 Ų22092 Ų9283%0.8350%0.502SS*.Hα-helixtrans-67.3-45.3177-173.1179.8-179.1-170.70.4111.9S311 S316 H317S311-R313 PolarHBondContact O-N 2.91Å; R313-S316 PolarHBondContact O-N 2.9Å; R313-H317 WeakPolarHBondContact O-CB 3.38Å; R313-H317 PolarHBondContact O-N 3.29Å
314A90.3Very high89.6Confident23 Ų2390 Ų9019%0.1948%0.483CS..Hα-helixtrans-65.6-40.2177.300000111.5A309 S311 H317 R318A309-A314 HydrophobicContact CB-CB 3.89Å; S311-A314 PolarHBondContact O-N 2.82Å; S311-A314 VanDerWaalsContact OG-CB 3.28Å; S311-A314 WeakPolarHBondContact OG-CB 3.31Å; S311-A314 PolarHBondContact OG-N 3.41Å; A314-H317 PolarHBondContact O-N 2.99Å; A314-R318 WeakPolarHBondContact O-CB 3.42Å; A314-R318 PolarHBondContact O-N 2.95Å
315Q90.6Very high89.8Confident99 Ų9984.2 Ų84.246%0.46345%0.453SS..Hα-helixtrans-62.7-44.9174.5-65.4-179.3-0.400111.9A309 S311 R318 A319A309-Q315 WeakPolarHBondContact O-CG 3.47Å; S311-Q315 PolarHBondContact O-N 2.83Å; Q315-R318 PolarHBondContact O-N 2.85Å; Q315-A319 WeakPolarHBondContact O-CB 3.39Å; Q315-A319 PolarHBondContact O-N 3.06Å
316S92.8Very high90.1Very high76 Ų7685.7 Ų85.753%0.53146%0.464SS..Hα-helixtrans-63.2-43.3177.7-60.80000111.9L312 R313 A319 E320L312-S316 WeakPolarHBondContact O-CB 3.49Å; L312-S316 PolarHBondContact O-N 3.37Å; L312-S316 PolarHBondContact O-OG 3.25Å; R313-S316 PolarHBondContact O-N 2.9Å; S316-A319 PolarHBondContact O-N 2.94Å; S316-E320 WeakPolarHBondContact O-CB 3.27Å; S316-E320 PolarHBondContact O-N 2.72Å
317H92.8Very high90.5Very high82 Ų8287.1 Ų87.138%0.3846%0.462SS..Hα-helixtrans-63.8-43.6177.2-178-98000112.2R313 A314 E320 L321R313-H317 WeakPolarHBondContact O-CB 3.38Å; R313-H317 PolarHBondContact O-N 3.29Å; A314-H317 PolarHBondContact O-N 2.99Å; H317-E320 WeakPolarHBondContact O-CB 3.35Å; H317-E320 PolarHBondContact O-N 3.42Å; H317-L321 PolarHBondContact O-N 3.08Å
318R93.1Very high91.4Very high133 Ų13382.7 Ų82.750%0.50242%0.423SS..Hα-helixtrans-60.3-47.8174.4-178.7175.5175.4165.60.6111.6L302 L305 A314 Q315 E320 L321 D322L302-R318 HydrophobicContact CD1-CG 3.97Å; L305-R318 HydrophobicContact CD1-CB 4.02Å; L305-R318 HydrophobicContact CD1-CG 4.2Å; A314-R318 WeakPolarHBondContact O-CB 3.42Å; A314-R318 PolarHBondContact O-N 2.95Å; Q315-R318 PolarHBondContact O-N 2.85Å; R318-E320 PolarHBondContact O-N 3.36Å; R318-L321 PolarHBondContact O-N 3.44Å; R318-L321 VanDerWaalsContact O-N 3.14Å; R318-D322 PolarHBondContact O-N 3.36Å
319A94.3Very high92.5Very high37 Ų3784.1 Ų84.131%0.30642%0.415SS..Hα-helixtrans-61.6-33.2177.200000112.3Q315 S316 R323Q315-A319 WeakPolarHBondContact O-CB 3.39Å; Q315-A319 PolarHBondContact O-N 3.06Å; S316-A319 PolarHBondContact O-N 2.94Å; A319-R323 WeakPolarHBondContact O-CB 3.33Å; A319-R323 WeakPolarHBondContact O-CG 3.35Å; A319-R323 PolarHBondContact O-N 3.31Å
320E95.7Very high93.9Very high90 Ų9088.9 Ų88.942%0.42143%0.434SS..Hα-helixtrans-67.3-44.3173.6-168.1-174.1160.900112S316 H317 R318 R323 K324S316-E320 WeakPolarHBondContact O-CB 3.27Å; S316-E320 PolarHBondContact O-N 2.72Å; H317-E320 WeakPolarHBondContact O-CB 3.35Å; H317-E320 PolarHBondContact O-N 3.42Å; R318-E320 PolarHBondContact O-N 3.36Å; E320-R323 PolarHBondContact O-N 3.29Å; E320-K324 WeakPolarHBondContact O-CG 3.28Å; E320-K324 PolarHBondContact O-N 2.82Å; E320-K324 WeakPolarHBondContact OE1-CE 3.5Å; E320-K324 IonicContact OE1-NZ 3.71Å; E320-K324 PolarHBondContact OE1-NZ 3.3Å
321L95.8Very high94.8Very high4 Ų483.5 Ų83.52%0.02141%0.408CS..Hα-helixtrans-61-44.5174.5-71.2177.3000111.7L298 E301 L302 L305 H317 R318 R323 K324 L325L298-L321 HydrophobicContact CD2-CD2 3.76Å; E301-L321 HydrophobicContact CB-CD1 4.15Å; E301-L321 HydrophobicContact CB-CD2 4.38Å; E301-L321 WeakPolarHBondContact OE2-CD2 3.45Å; L302-L321 HydrophobicContact CD1-CB 4.36Å; L302-L321 HydrophobicContact CD1-CD1 4.45Å; L305-L321 HydrophobicContact CD1-CD1 4Å; H317-L321 PolarHBondContact O-N 3.08Å; R318-L321 PolarHBondContact O-N 3.44Å; R318-L321 VanDerWaalsContact O-N 3.14Å; L321-R323 PolarHBondContact O-N 3.1Å; L321-K324 PolarHBondContact O-N 3.23Å; L321-L325 WeakPolarHBondContact O-CB 3.39Å; L321-L325 PolarHBondContact O-N 3.37Å
322D95.2Very high95.1Very high60 Ų6081.4 Ų81.432%0.32139%0.392SS..Hα-helixtrans-62.3-42.3177.5-69.9-29.6000111.4R318 L325 V326R318-D322 PolarHBondContact O-N 3.36Å; D322-L325 WeakPolarHBondContact O-CB 3.47Å; D322-L325 PolarHBondContact O-N 3.04Å; D322-V326 WeakPolarHBondContact O-CG2 3.43Å; D322-V326 PolarHBondContact O-N 3Å
323R97.5Very high95.4Very high174 Ų17481.6 Ų81.666%0.65739%0.387SS*.Hα-helixtrans-61.6-44.3174.7-74.4170.1-171.2169.14112.1A319 E320 L321 L325 V326 Q327A319-R323 WeakPolarHBondContact O-CB 3.33Å; A319-R323 WeakPolarHBondContact O-CG 3.35Å; A319-R323 PolarHBondContact O-N 3.31Å; E320-R323 PolarHBondContact O-N 3.29Å; L321-R323 PolarHBondContact O-N 3.1Å; R323-L325 VanDerWaalsContact C-N 3.32Å; R323-V326 PolarHBondContact O-N 2.98Å; R323-Q327 WeakPolarHBondContact O-CG 3.26Å; R323-Q327 PolarHBondContact O-N 2.87Å; R323-Q327 VanDerWaalsContact O-N 3.12Å
324K97.5Very high95.6Very high80 Ų8075.4 Ų75.435%0.34837%0.369SS..Hα-helixtrans-63.4-40.1176.2-72.5173.3-175.7164.40111.1L298 E320 L321 Q327 V328L298-K324 HydrophobicContact CD1-CB 3.93Å; L298-K324 HydrophobicContact CD2-CB 4.28Å; L298-K324 HydrophobicContact CD2-CD 4.36Å; E320-K324 WeakPolarHBondContact O-CG 3.28Å; E320-K324 PolarHBondContact O-N 2.82Å; E320-K324 WeakPolarHBondContact OE1-CE 3.5Å; E320-K324 IonicContact OE1-NZ 3.71Å; E320-K324 PolarHBondContact OE1-NZ 3.3Å; L321-K324 PolarHBondContact O-N 3.23Å; K324-Q327 PolarHBondContact O-N 3.27Å; K324-V328 WeakPolarHBondContact O-CG2 3.4Å; K324-V328 PolarHBondContact O-N 3.06Å
325L97.3Very high95.9Very high22 Ų2276.3 Ų76.312%0.11537%0.369CS..Hα-helixtrans-61.4-47.3177.9-169.472.3000111.1Q295 L298 L299 L321 D322 R323 Q327 V328 E329Q295-L325 HydrophobicContact CG-CD1 3.85Å; L298-L325 HydrophobicContact CB-CD1 4.17Å; L299-L325 HydrophobicContact CD2-CD1 3.92Å; L299-L325 HydrophobicContact CD2-CD2 3.78Å; L299-L325 HydrophobicContact CG-CD1 3.96Å; L321-L325 WeakPolarHBondContact O-CB 3.39Å; L321-L325 PolarHBondContact O-N 3.37Å; D322-L325 WeakPolarHBondContact O-CB 3.47Å; D322-L325 PolarHBondContact O-N 3.04Å; R323-L325 VanDerWaalsContact C-N 3.32Å; L325-Q327 VanDerWaalsContact C-N 3.33Å; L325-Q327 PolarHBondContact O-N 3.3Å; L325-V328 PolarHBondContact O-N 3.4Å; L325-E329 WeakPolarHBondContact O-CB 3.2Å; L325-E329 WeakPolarHBondContact O-CG 3.28Å; L325-E329 PolarHBondContact O-N 2.72Å
326V97.9Very high96.1Very high74 Ų7474.9 Ų74.945%0.44837%0.37SS..Hα-helixtrans-58.5-44.81761720000111.3D322 R323 V328 E329 E330D322-V326 WeakPolarHBondContact O-CG2 3.43Å; D322-V326 PolarHBondContact O-N 3Å; R323-V326 PolarHBondContact O-N 2.98Å; V326-V328 PolarHBondContact O-N 3.07Å; V326-E329 PolarHBondContact O-N 3.39Å; V326-E330 WeakPolarHBondContact O-CG 3.5Å; V326-E330 PolarHBondContact O-N 3.04Å
327Q97.6Very high96.2Very high129 Ų12978.3 Ų78.360%0.60337%0.371SS*.Hα-helixtrans-61.4-43.1177.1-70.5172.81300112.3R323 K324 L325 A331R323-Q327 WeakPolarHBondContact O-CG 3.26Å; R323-Q327 PolarHBondContact O-N 2.87Å; R323-Q327 VanDerWaalsContact O-N 3.12Å; K324-Q327 PolarHBondContact O-N 3.27Å; L325-Q327 VanDerWaalsContact C-N 3.33Å; L325-Q327 PolarHBondContact O-N 3.3Å; Q327-A331 WeakPolarHBondContact O-CB 3.34Å; Q327-A331 PolarHBondContact O-N 2.8Å
328V97.9Very high96.2Very high17 Ų1779 Ų7910%0.10338%0.383CS..Hα-helixtrans-66.3-40.1177.7170.50000110.9L291 Q295 L298 K324 L325 V326 A331 I332L291-V328 HydrophobicContact CB-CG1 4.48Å; L291-V328 HydrophobicContact CD2-CG1 4.34Å; L291-V328 WeakPolarHBondContact O-CG1 3.18Å; Q295-V328 HydrophobicContact CB-CG1 3.89Å; L298-V328 HydrophobicContact CD1-CG2 4.02Å; K324-V328 WeakPolarHBondContact O-CG2 3.4Å; K324-V328 PolarHBondContact O-N 3.06Å; L325-V328 PolarHBondContact O-N 3.4Å; V326-V328 PolarHBondContact O-N 3.07Å; V328-A331 WeakPolarHBondContact O-CB 3.46Å; V328-A331 PolarHBondContact O-N 3.14Å; V328-I332 HydrophobicContact CG1-CD1 3.78Å; V328-I332 HydrophobicContact CG1-CG1 4.33Å; V328-I332 VanDerWaalsContact O-CG1 3.25Å; V328-I332 WeakPolarHBondContact O-CG1 3.4Å; V328-I332 PolarHBondContact O-N 2.88Å
329E97Very high96.1Very high85 Ų8577.4 Ų77.440%0.39738%0.38SS..Hα-helixtrans-65.6-41.5177.3-75.2177.9173.600112.6Q295 L325 V326 A331 I332 K333Q295-E329 PolarHBondContact NE2-OE1 2.97Å; L325-E329 WeakPolarHBondContact O-CB 3.2Å; L325-E329 WeakPolarHBondContact O-CG 3.28Å; L325-E329 PolarHBondContact O-N 2.72Å; V326-E329 PolarHBondContact O-N 3.39Å; E329-A331 VanDerWaalsContact C-N 3.33Å; E329-I332 PolarHBondContact O-N 3.48Å; E329-K333 WeakPolarHBondContact O-CB 3.48Å; E329-K333 PolarHBondContact O-N 3.24Å
330E97.7Very high96Very high119 Ų11976.1 Ų76.156%0.55637%0.368SS*.Hα-helixtrans-61.5-42.8172.1-73.4-178.1172.400111.4V326 K333 I334V326-E330 WeakPolarHBondContact O-CG 3.5Å; V326-E330 PolarHBondContact O-N 3.04Å; E330-K333 WeakPolarHBondContact O-CB 3.03Å; E330-K333 PolarHBondContact O-N 3.26Å; E330-I334 WeakPolarHBondContact O-CG1 3.39Å; E330-I334 PolarHBondContact O-N 3.09Å
331A96.9Very high95.9Very high22 Ų2274.2 Ų74.218%0.18236%0.358CS..Hα-helixtrans-62.5-47.3174.900000111.5L291 Q327 V328 E329 K333 I334 F335L291-A331 HydrophobicContact CD1-CB 3.75Å; L291-A331 HydrophobicContact CD2-CB 3.93Å; Q327-A331 WeakPolarHBondContact O-CB 3.34Å; Q327-A331 PolarHBondContact O-N 2.8Å; V328-A331 WeakPolarHBondContact O-CB 3.46Å; V328-A331 PolarHBondContact O-N 3.14Å; E329-A331 VanDerWaalsContact C-N 3.33Å; A331-K333 VanDerWaalsContact C-N 3.26Å; A331-K333 PolarHBondContact O-N 3.35Å; A331-I334 WeakPolarHBondContact O-CA 3.25Å; A331-I334 WeakPolarHBondContact O-CB 3.35Å; A331-I334 PolarHBondContact O-N 3.05Å; A331-F335 HydrophobicContact CB-CD2 4.47Å; A331-F335 WeakPolarHBondContact O-CD2 3.18Å; A331-F335 PolarHBondContact O-N 2.94Å
332I97.3Very high95.7Very high26 Ų2677.3 Ų77.313%0.13338%0.377CS..Hα-helixtrans-57-43175.5-70.3164.9000110.3L288 L291 L292 Q295 V328 E329 I334 F335 S336L288-I332 HydrophobicContact CD1-CG2 4.06Å; L291-I332 HydrophobicContact CB-CD1 4.3Å; L291-I332 HydrophobicContact CB-CG1 3.64Å; L291-I332 HydrophobicContact CD1-CG1 4.39Å; L292-I332 HydrophobicContact CD2-CD1 4.03Å; L292-I332 HydrophobicContact CD2-CG2 4.4Å; Q295-I332 HydrophobicContact CB-CD1 4.08Å; Q295-I332 HydrophobicContact CG-CD1 4.44Å; V328-I332 HydrophobicContact CG1-CD1 3.78Å; V328-I332 HydrophobicContact CG1-CG1 4.33Å; V328-I332 VanDerWaalsContact O-CG1 3.25Å; V328-I332 WeakPolarHBondContact O-CG1 3.4Å; V328-I332 PolarHBondContact O-N 2.88Å; E329-I332 PolarHBondContact O-N 3.48Å; I332-I334 VanDerWaalsContact C-N 3.26Å; I332-I334 PolarHBondContact O-N 3.39Å; I332-F335 PolarHBondContact O-N 3.19Å; I332-S336 WeakPolarHBondContact O-CB 3.3Å; I332-S336 PolarHBondContact O-N 3.02Å; I332-S336 PolarHBondContact O-OG 3.16Å; I332-S336 VanDerWaalsContact O-OG 3.07Å
333K97.4Very high95.5Very high142 Ų14281.1 Ų81.162%0.61739%0.391SS*.Hα-helixtrans-60.5-35.6176.3-174.9-179.7-178.5178.70112.3E329 E330 A331 S336E329-K333 WeakPolarHBondContact O-CB 3.48Å; E329-K333 PolarHBondContact O-N 3.24Å; E330-K333 WeakPolarHBondContact O-CB 3.03Å; E330-K333 PolarHBondContact O-N 3.26Å; A331-K333 VanDerWaalsContact C-N 3.26Å; A331-K333 PolarHBondContact O-N 3.35Å; K333-S336 PolarHBondContact O-OG 2.8Å
334I95.2Very high94.9Very high89 Ų8977.3 Ų77.346%0.45638%0.382SS..Hα-helixtrans-70.8-50.9174.3-65.5163.7000110.6E330 A331 I332 S336 R337 V340E330-I334 WeakPolarHBondContact O-CG1 3.39Å; E330-I334 PolarHBondContact O-N 3.09Å; A331-I334 WeakPolarHBondContact O-CA 3.25Å; A331-I334 WeakPolarHBondContact O-CB 3.35Å; A331-I334 PolarHBondContact O-N 3.05Å; I332-I334 VanDerWaalsContact C-N 3.26Å; I332-I334 PolarHBondContact O-N 3.39Å; I334-S336 VanDerWaalsContact C-N 3.35Å; I334-S336 PolarHBondContact O-N 3.33Å; I334-R337 WeakPolarHBondContact O-CB 3.32Å; I334-R337 PolarHBondContact O-N 3.44Å; I334-V340 HydrophobicContact CG2-CG1 4.19Å; I334-V340 WeakPolarHBondContact O-CG2 3.23Å
335F96.1Very high94Very high43 Ų4381.3 Ų81.319%0.18941%0.407CS..Hα-helixtrans-76.9-16.6-174.3-70.7-75.1000114.9M279 R284 T287 L288 L291 A331 I332 R337 V340M279-F335 HydrophobicContact CE-CE1 4.15Å; M279-F335 HydrophobicContact SD-CD1 4.07Å; M279-F335 HydrophobicContact SD-CE1 3.57Å; M279-F335 VanDerWaalsContact SD-CE1 3.57Å; R284-F335 HydrophobicContact CG-CD1 4.22Å; R284-F335 PolarHBondContact NH1-O 3.38Å; T287-F335 WeakPolarHBondContact OG1-CD1 3.46Å; L288-F335 HydrophobicContact CB-CB 4.34Å; L288-F335 HydrophobicContact CD1-CB 4.21Å; L291-F335 HydrophobicContact CD1-CB 4.45Å; L291-F335 HydrophobicContact CD1-CD2 3.42Å; L291-F335 VanDerWaalsContact CD1-CD2 3.42Å; L291-F335 HydrophobicContact CD1-CE2 4Å; L291-F335 HydrophobicContact CD1-CG 4.21Å; A331-F335 HydrophobicContact CB-CD2 4.47Å; A331-F335 WeakPolarHBondContact O-CD2 3.18Å; A331-F335 PolarHBondContact O-N 2.94Å; I332-F335 PolarHBondContact O-N 3.19Å; F335-R337 PolarHBondContact O-N 2.96Å; F335-V340 HydrophobicContact CD1-CG1 4.14Å; F335-V340 HydrophobicContact CD1-CG2 4.18Å; F335-V340 HydrophobicContact CE1-CG1 3.93Å
336S95.4Very high92.1Very high69 Ų6989.6 Ų89.648%0.48346%0.459SS..THydrogen-bonded Turntrans-68.7-20.8170.463.90000112.8I332 K333 I334I332-S336 WeakPolarHBondContact O-CB 3.3Å; I332-S336 PolarHBondContact O-N 3.02Å; I332-S336 PolarHBondContact O-OG 3.16Å; I332-S336 VanDerWaalsContact O-OG 3.07Å; K333-S336 PolarHBondContact O-OG 2.8Å; I334-S336 VanDerWaalsContact C-N 3.35Å; I334-S336 PolarHBondContact O-N 3.33Å
337R94.1Very high91.8Very high148 Ų14890.4 Ų90.456%0.55846%0.459SS*.SBendtrans-68.4147174.5-61.8179.1-179.9-171-1110.5R284 I334 F335 K339R284-R337 WeakPolarHBondContact CD-O 3.47Å; I334-R337 WeakPolarHBondContact O-CB 3.32Å; I334-R337 PolarHBondContact O-N 3.44Å; F335-R337 PolarHBondContact O-N 2.96Å; R337-K339 VanDerWaalsContact C-N 3.28Å; R337-K339 PolarHBondContact O-N 3.22Å
338P92.8Very high91.5Very high97 Ų9788.4 Ų88.463%0.6345%0.452SS*.SBendtrans-68.8-26.9-178.727-34.9000113.1
339K91.3Very high91.1Very high98 Ų9892.3 Ų92.343%0.42647%0.471SS..  trans-120.9120.4178.9-61.2-178.6-179.3-174.50109.1D269 R337D269-K339 IonicContact OD1-NZ 3.98Å; D269-K339 IonicContact OD2-NZ 2.69Å; D269-K339 PolarHBondContact OD2-NZ 3.42Å; R337-K339 VanDerWaalsContact C-N 3.28Å; R337-K339 PolarHBondContact O-N 3.22Å
340V93.3Very high90.8Very high10 Ų1092.8 Ų92.86%0.06148%0.475CS..  trans-122.5132.7174.8-178.10000107.5M279 R284 I334 F335M279-V340 HydrophobicContact CB-CB 4.31Å; M279-V340 PolarHBondContact N-O 3.07Å; R284-V340 HydrophobicContact CG-CG2 4.08Å; I334-V340 HydrophobicContact CG2-CG1 4.19Å; I334-V340 WeakPolarHBondContact O-CG2 3.23Å; F335-V340 HydrophobicContact CD1-CG1 4.14Å; F335-V340 HydrophobicContact CD1-CG2 4.18Å; F335-V340 HydrophobicContact CE1-CG1 3.93Å
341F92Very high90.4Very high51 Ų5191.1 Ų91.122%0.22447%0.47CS..EExtended strand (participates in β ladder)trans-110.8132.5177.5-59.4-75000108.7M272 H276 T277 R278M272-F341 HydrophobicContact CB-CD1 4.36Å; M272-F341 HydrophobicContact CB-CE1 3.87Å; M272-F341 HydrophobicContact CB-CZ 4.23Å; M272-F341 HydrophobicContact CE-CD1 4.35Å; M272-F341 HydrophobicContact CE-CE1 3.84Å; M272-F341 HydrophobicContact CG-CD1 3.88Å; M272-F341 HydrophobicContact CG-CE1 3.82Å; H276-F341 HydrophobicContact CB-CB 4.07Å; T277-F341 CarbonylContact O-C 3.56Å; T277-F341 WeakPolarHBondContact O-CA 3.48Å; R278-F341 HydrophobicContact CB-CD1 4Å; R278-F341 HydrophobicContact CB-CE1 3.93Å; R278-F341 HydrophobicContact CG-CE1 4.43Å
342V91.4Very high89.9Confident68 Ų6895.7 Ų95.741%0.41249%0.49SS..EExtended strand (participates in β ladder)trans-110.4133.9-179.7-175.20000107.9H276 T277 M279H276-V342 CarbonylContact C-O 3.54Å; H276-V342 VanDerWaalsContact CA-O 3.25Å; H276-V342 WeakPolarHBondContact CA-O 3.48Å; T277-V342 PolarHBondContact N-O 3.11Å; T277-V342 PolarHBondContact O-N 3.07Å; M279-V342 HydrophobicContact CB-CG2 4.05Å; M279-V342 HydrophobicContact CG-CG2 4.34Å; M279-V342 HydrophobicContact SD-CG2 4.45Å
343K91.7Very high89.4Confident141 Ų141100.7 Ų100.761%0.61352%0.515SS*.EExtended strand (participates in β ladder)trans-66.7131.3174.2-174.7179.5174.2-174.10108.4
344M85.9Confident88.8Confident94 Ų9497.5 Ų97.546%0.46351%0.507SS..  trans-77.8129.4174.1-57.7-63.9-86.600108.5G275 T277 T346G275-M344 PolarHBondContact O-N 2.87Å; T277-M344 WeakPolarHBondContact OG1-CG 3.38Å; T277-M344 PolarHBondContact OG1-SD 3.4Å; M344-T346 VanDerWaalsContact C-N 3.32Å; M344-T346 HydrophobicContact CB-CG2 4.37Å; M344-T346 PolarHBondContact O-N 2.74Å; M344-T346 VanDerWaalsContact O-N 3.08Å
345D78.4Confident88.3Confident163 Ų16398.3 Ų98.387%0.87251%0.512SS*.  trans-78.586.9169.8-60.6-37000107.5
346T56.6Low87.5Confident197 Ų197103.3 Ų103.3100%1.20954%0.541SS*.  trans-96.40170.849.90000111.3M344M344-T346 VanDerWaalsContact C-N 3.32Å; M344-T346 HydrophobicContact CB-CG2 4.37Å; M344-T346 PolarHBondContact O-N 2.74Å; M344-T346 VanDerWaalsContact O-N 3.08Å

Retrieved 346 of 346 residues in 59.3 ms (Link to these results)