A0A087YAM1_POEFO Loading...

Filensin

AlphaFold DB , UniProt , Accession A0A087YAM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 661 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
1M42Very low40.6Very low214 Ų214144.1 Ų144.1100%1.05467%0.668SS**  0126.80-78.4175.7168.900108
2F37.6Very low40.3Very low193 Ų193144.8 Ų144.885%0.84667%0.667SS**  trans-88.9133.8169.4-61.8-81.7000108.5
3K40.2Very low40.5Very low167 Ų167147.9 Ų147.973%0.72668%0.683SS**  trans-12797.8174.6-171-176.8-178.8-171.50107.9
4T39.8Very low40Very low84 Ų84151.9 Ų151.952%0.51570%0.697SS.*  trans-81.5130.6172.244.20000109.3
5S42Very low39.9Very low73 Ų73156.8 Ų156.851%0.5171%0.71SS.*  trans-123.8110.8175.449.80000109.3
6F35.4Very low39.8Very low151 Ų151159.1 Ų159.166%0.66272%0.722SS**  trans-89.3121.4179.5-56.6-87000109.8E628F6-E628 HydrophobicContact CD1-CG 4.3Å; F6-E628 HydrophobicContact CE1-CG 4.43Å; F6-E628 WeakPolarHBondContact CE1-OE1 3.48Å
7Q39.7Very low39.6Very low159 Ų159162.7 Ų162.774%0.74373%0.728SS**  trans-114.5107.8174-175.9168.2-1200109.6
8R40.9Very low39.5Very low198 Ų198159.7 Ų159.775%0.74773%0.73SS**  trans-99.5109.5-179.7-175-176.4-178.4-139.42.4110.1V10R8-V10 HydrophobicContact CG-CG2 4.19Å
9E45.4Very low39.3Very low108 Ų108159.8 Ų159.851%0.50574%0.737SS.*  trans-100.8136.9170.1-162.3173.1-146.500109.8R11E9-R11 VanDerWaalsContact CD-CZ 3.5Å; E9-R11 IonicContact OE1-CZ 3Å; E9-R11 IonicContact OE1-NH1 2.71Å; E9-R11 IonicContact OE1-NH2 3.39Å; E9-R11 PolarHBondContact OE1-NH2 2.82Å; E9-R11 IonicContact OE2-CZ 3.76Å; E9-R11 IonicContact OE2-NH1 3.13Å; E9-R11 PolarHBondContact OE2-NH1 3.23Å; E9-R11 IonicContact OE2-NH2 2.77Å; E9-R11 PolarHBondContact OE2-NH2 3.08Å; E9-R11 VanDerWaalsContact OE2-NH2 3.16Å
10V41.2Very low39.3Very low61 Ų61157.8 Ų157.837%0.3774%0.737SS.*  trans-136.3112.6177.3179.50000108.2R8 K12R8-V10 HydrophobicContact CG-CG2 4.19Å; V10-K12 HydrophobicContact CG1-CG 4.34Å
11R42.1Very low39Very low177 Ų177159.8 Ų159.867%0.66874%0.743SS**  trans-93.3138.8172.5-69.1-177.6172.874.216.6109.6E9E9-R11 VanDerWaalsContact CD-CZ 3.5Å; E9-R11 IonicContact OE1-CZ 3Å; E9-R11 IonicContact OE1-NH1 2.71Å; E9-R11 IonicContact OE1-NH2 3.39Å; E9-R11 PolarHBondContact OE1-NH2 2.82Å; E9-R11 IonicContact OE2-CZ 3.76Å; E9-R11 IonicContact OE2-NH1 3.13Å; E9-R11 PolarHBondContact OE2-NH1 3.23Å; E9-R11 IonicContact OE2-NH2 2.77Å; E9-R11 PolarHBondContact OE2-NH2 3.08Å; E9-R11 VanDerWaalsContact OE2-NH2 3.16Å
12K37.7Very low39Very low152 Ų152156.7 Ų156.766%0.66173%0.731SS**  trans-133.3121.3172.9-64.2-161-178.6-145.10109.8V10 E622V10-K12 HydrophobicContact CG1-CG 4.34Å; K12-E622 WeakPolarHBondContact CE-OE1 3.4Å; K12-E622 IonicContact NZ-OE1 2.67Å; K12-E622 PolarHBondContact NZ-OE1 3.36Å
13E42.6Very low39Very low186 Ų186156.8 Ų156.887%0.86973%0.734SS**  trans-102.6148.9167.4-70-172.2147.300110
14K33.3Very low38.9Very low203 Ų203158.3 Ų158.388%0.88374%0.744SS**  trans-122.8134.7177.1-69.9-175.4176.6-175.70109.3
15Y38.4Very low39Very low226 Ų226160 Ų16089%0.88675%0.754SS**  trans-111.1134.1165.8-100.2-94.1000109.3
16E39.4Very low38.9Very low194 Ų194165.9 Ų165.991%0.90777%0.773SS**  trans-126.1135.1178.7-162.4163.3-126.500107.6
17R35.7Very low39.1Very low220 Ų220165.6 Ų165.683%0.8378%0.779SS**  trans-132.1122.3-176.9-144.9176.4-170.7162.83.2108.4
18S38Very low39Very low108 Ų108164.2 Ų164.276%0.75579%0.787SS**  trans-98.1121.6-172.952.70000111.4
19D34.8Very low39Very low162 Ų162164 Ų16487%0.86679%0.794SS**  trans-85.5126.5167.7-69.5-29.9000110
20V40Very low38.8Very low120 Ų120164.3 Ų164.373%0.72780%0.804SS**  trans-112.7141.1167.6176.70000106.9
21F33.3Very low39.1Very low200 Ų200167.1 Ų167.188%0.87782%0.823SS**  trans-135.7137.8173.4-115.5-84.6000110.3
22D41.5Very low39.1Very low148 Ų148163.6 Ų163.679%0.79183%0.832SS**PPolyproline II helixtrans-75.7154.4-168.4-57.9-67.7000114
23E38.7Very low39.4Very low196 Ų196159.5 Ų159.592%0.91683%0.832SS**PPolyproline II helixtrans-89.4133.7161.3-77.5-167.4137.100109.8
24E37.8Very low39.4Very low198 Ų198154.8 Ų154.893%0.92581%0.812SS**PPolyproline II helixtrans-89.3120.1166.7-75-177151.900110.7
25T41.9Very low40.6Very low119 Ų119150.6 Ų150.673%0.7381%0.809SS**PPolyproline II helixtrans-66.8146.5163.315.90000111.5
26E39.2Very low41.4Very low197 Ų197144 Ų14492%0.92180%0.801SS**  trans-142.3127.6141.3-83.1-145158.500111.3
27D38.9Very low42.1Very low145 Ų145139.2 Ų139.278%0.77578%0.781SS**  trans-99143.9170.1-67.3-59.1000110.1
28S38.8Very low43.2Very low130 Ų130132 Ų13291%0.90976%0.756SS**  trans-164.2147.4142.5-97.80000113.9
29E40.8Very low44.6Very low195 Ų195128.9 Ų128.991%0.91174%0.741SS**  trans-89.2167.6-169-58.5179.412900113.2
30T40.3Very low46.1Very low114 Ų114129.4 Ų129.470%0.69973%0.731SS**  trans-95.6165.4177.658.60000112.1
31P47.9Very low47.7Very low120 Ų120128 Ų12878%0.77972%0.717SS**  -131.6159.5126.830.3-17.2000113.9
32A41.2Very low49.7Very low102 Ų102122 Ų12284%0.84370%0.7SS**  trans-78.7144.6-164.200000114.8
33G43.8Very low51.6Low66 Ų66120.2 Ų120.268%0.6869%0.69SS**  trans-174.5-9170.700000118.3
34I44.7Very low53.7Low87 Ų87116.2 Ų116.245%0.44667%0.671SS.*  trans-144.551.6-169.1-25.9175.6000115.2A36 I37 Q38I34-A36 PolarHBondContact O-N 3.48Å; I34-I37 HydrophobicContact CB-CB 4.37Å; I34-I37 HydrophobicContact CG2-CB 3.6Å; I34-I37 HydrophobicContact CG2-CD1 3.78Å; I34-I37 HydrophobicContact CG2-CG1 3.67Å; I34-I37 PolarHBondContact O-N 3.28Å; I34-Q38 WeakPolarHBondContact O-CB 3.44Å; I34-Q38 PolarHBondContact O-N 3.02Å
35S57.3Low55.9Low116 Ų116111.4 Ų111.481%0.81165%0.648SS**THydrogen-bonded Turntrans-51.5-24.4-167.9-51.20000118.1G39S35-G39 PolarHBondContact O-N 3.03Å
36A55.3Low58Low88 Ų88109.7 Ų109.773%0.72763%0.634SS**THydrogen-bonded Turntrans-86-40.4175.400000113.5I34 W40I34-A36 PolarHBondContact O-N 3.48Å; A36-W40 PolarHBondContact O-N 3.11Å
37I55.1Low60.4Low93 Ų93105.4 Ų105.448%0.47762%0.618SS.*Hα-helixtrans-77.1-40.8177.6-52.7-174000109.2I34 G39 W40 E41I34-I37 HydrophobicContact CB-CB 4.37Å; I34-I37 HydrophobicContact CG2-CB 3.6Å; I34-I37 HydrophobicContact CG2-CD1 3.78Å; I34-I37 HydrophobicContact CG2-CG1 3.67Å; I34-I37 PolarHBondContact O-N 3.28Å; I37-G39 VanDerWaalsContact C-N 3.28Å; I37-G39 PolarHBondContact O-N 3.42Å; I37-W40 CarbonylContact O-C 3.58Å; I37-W40 WeakPolarHBondContact O-CA 3.49Å; I37-W40 WeakPolarHBondContact O-CB 3.34Å; I37-W40 PolarHBondContact O-N 3.42Å; I37-E41 HydrophobicContact CG2-CG 4.16Å; I37-E41 WeakPolarHBondContact O-CB 3.36Å; I37-E41 WeakPolarHBondContact O-CG 3.38Å; I37-E41 PolarHBondContact O-N 2.95Å
38Q58.8Low62.7Low68 Ų68101.4 Ų101.432%0.31860%0.601SS.*Hα-helixtrans-66-27.9177.6-158159.818.200112.7I34 E41 S42I34-Q38 WeakPolarHBondContact O-CB 3.44Å; I34-Q38 PolarHBondContact O-N 3.02Å; Q38-E41 WeakPolarHBondContact CA-OE2 3.43Å; Q38-S42 WeakPolarHBondContact O-CB 3.28Å; Q38-S42 PolarHBondContact O-N 3.48Å
39G66.4Low65.2Low42 Ų42101 Ų10143%0.43358%0.58SS.*Hα-helixtrans-69.9-35.6168.400000113.1S35 I37 L43S35-G39 PolarHBondContact O-N 3.03Å; I37-G39 VanDerWaalsContact C-N 3.28Å; I37-G39 PolarHBondContact O-N 3.42Å; G39-L43 WeakPolarHBondContact O-CB 3.34Å; G39-L43 PolarHBondContact O-N 3.22Å; G39-L43 VanDerWaalsContact O-N 3.1Å
40W66.4Low67.6Low173 Ų17397.1 Ų97.166%0.65556%0.56SS**Hα-helixtrans-74.8-41.2175.3-164.678.4000111.8A36 I37 L43 Q44A36-W40 PolarHBondContact O-N 3.11Å; I37-W40 CarbonylContact O-C 3.58Å; I37-W40 WeakPolarHBondContact O-CA 3.49Å; I37-W40 WeakPolarHBondContact O-CB 3.34Å; I37-W40 PolarHBondContact O-N 3.42Å; W40-L43 PolarHBondContact O-N 3.31Å; W40-Q44 VanDerWaalsContact O-CB 3.25Å; W40-Q44 WeakPolarHBondContact O-CB 3.48Å; W40-Q44 PolarHBondContact O-N 2.98Å
41E73Confident70Confident91 Ų9193.6 Ų93.643%0.42554%0.542SS..Hα-helixtrans-63-42.7172.5-71167.8162.700111.3I37 Q38 Q44 E45I37-E41 HydrophobicContact CG2-CG 4.16Å; I37-E41 WeakPolarHBondContact O-CB 3.36Å; I37-E41 WeakPolarHBondContact O-CG 3.38Å; I37-E41 PolarHBondContact O-N 2.95Å; Q38-E41 WeakPolarHBondContact CA-OE2 3.43Å; E41-Q44 CarbonylContact O-C 3.56Å; E41-Q44 WeakPolarHBondContact O-CB 3.44Å; E41-Q44 PolarHBondContact O-N 3.41Å; E41-E45 WeakPolarHBondContact O-CB 3.34Å; E41-E45 PolarHBondContact O-N 3.03Å
42S75.3Confident72.2Confident75 Ų7595.1 Ų95.152%0.52453%0.533SS..Hα-helixtrans-63.9-40.4174.6-176.50000112Q38 E45 L46Q38-S42 WeakPolarHBondContact O-CB 3.28Å; Q38-S42 PolarHBondContact O-N 3.48Å; S42-E45 PolarHBondContact O-N 3.44Å; S42-L46 VanDerWaalsContact O-CB 3.28Å; S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 PolarHBondContact O-N 3.38Å
43L82Confident74.8Confident110 Ų11097.4 Ų97.458%0.57652%0.521SS*.Hα-helixtrans-67.8-36.5173.6-171.966.8000111.9G39 W40 N47G39-L43 WeakPolarHBondContact O-CB 3.34Å; G39-L43 PolarHBondContact O-N 3.22Å; G39-L43 VanDerWaalsContact O-N 3.1Å; W40-L43 PolarHBondContact O-N 3.31Å; L43-N47 VanDerWaalsContact O-CB 3.24Å; L43-N47 WeakPolarHBondContact O-CB 3.18Å; L43-N47 PolarHBondContact O-N 3.03Å
44Q82.3Confident77.1Confident111 Ų11199.3 Ų99.352%0.51951%0.514SS..Hα-helixtrans-68.4-37.9175.2-176.2179-4.500111.6W40 E41 N47 S48W40-Q44 VanDerWaalsContact O-CB 3.25Å; W40-Q44 WeakPolarHBondContact O-CB 3.48Å; W40-Q44 PolarHBondContact O-N 2.98Å; E41-Q44 CarbonylContact O-C 3.56Å; E41-Q44 WeakPolarHBondContact O-CB 3.44Å; E41-Q44 PolarHBondContact O-N 3.41Å; Q44-N47 PolarHBondContact O-N 3.43Å; Q44-S48 WeakPolarHBondContact O-CB 3.47Å; Q44-S48 PolarHBondContact O-N 3.24Å
45E84.2Confident79.4Confident97 Ų9799.6 Ų99.645%0.45352%0.516SS..Hα-helixtrans-71.1-41.7175-156.8-156.4140.700111.2E41 S42 N47 S48 R49E41-E45 WeakPolarHBondContact O-CB 3.34Å; E41-E45 PolarHBondContact O-N 3.03Å; S42-E45 PolarHBondContact O-N 3.44Å; E45-N47 VanDerWaalsContact C-N 3.3Å; E45-N47 PolarHBondContact O-N 3.41Å; E45-S48 CarbonylContact O-C 3.51Å; E45-S48 WeakPolarHBondContact O-CA 3.4Å; E45-S48 WeakPolarHBondContact O-CB 3.38Å; E45-S48 PolarHBondContact O-N 2.81Å; E45-S48 VanDerWaalsContact O-N 3.15Å; E45-R49 WeakPolarHBondContact O-CG 3.29Å; E45-R49 PolarHBondContact O-N 2.85Å; E45-R49 IonicContact OE1-CZ 3.16Å; E45-R49 IonicContact OE1-NE 2.87Å; E45-R49 PolarHBondContact OE1-NE 2.69Å; E45-R49 IonicContact OE1-NH2 3.6Å; E45-R49 PolarHBondContact OE1-NH2 3.2Å
46L86.8Confident81.2Confident83 Ų83102 Ų10244%0.43551%0.507SS..Hα-helixtrans-59.6-41.9171.6-179.361.9000111.1S42 R49 F50S42-L46 VanDerWaalsContact O-CB 3.28Å; S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 PolarHBondContact O-N 3.38Å; L46-R49 PolarHBondContact O-N 3.48Å; L46-F50 HydrophobicContact CD1-CD2 4.09Å; L46-F50 HydrophobicContact CD1-CE2 3.67Å; L46-F50 HydrophobicContact CD1-CZ 4.33Å; L46-F50 HydrophobicContact CD2-CE2 4.08Å; L46-F50 HydrophobicContact CG-CD2 3.89Å; L46-F50 HydrophobicContact CG-CE2 3.61Å; L46-F50 WeakPolarHBondContact O-CD2 3.34Å; L46-F50 PolarHBondContact O-N 3.01Å
47N88Confident83Confident107 Ų10799.9 Ų99.957%0.57249%0.49SS*.Hα-helixtrans-64.1-41.3173.5-167-17.9000111.5L43 Q44 E45 R49 F50 A51L43-N47 VanDerWaalsContact O-CB 3.24Å; L43-N47 WeakPolarHBondContact O-CB 3.18Å; L43-N47 PolarHBondContact O-N 3.03Å; Q44-N47 PolarHBondContact O-N 3.43Å; E45-N47 VanDerWaalsContact C-N 3.3Å; E45-N47 PolarHBondContact O-N 3.41Å; N47-R49 PolarHBondContact O-N 2.89Å; N47-F50 PolarHBondContact O-N 3.38Å; N47-A51 WeakPolarHBondContact O-CB 3.32Å; N47-A51 PolarHBondContact O-N 3.38Å
48S88.4Confident84.8Confident61 Ų61103.5 Ų103.543%0.42750%0.498SS..Hα-helixtrans-60.2-41.9172.4-176.40000112.4Q44 E45 A51 R52Q44-S48 WeakPolarHBondContact O-CB 3.47Å; Q44-S48 PolarHBondContact O-N 3.24Å; E45-S48 CarbonylContact O-C 3.51Å; E45-S48 WeakPolarHBondContact O-CA 3.4Å; E45-S48 WeakPolarHBondContact O-CB 3.38Å; E45-S48 PolarHBondContact O-N 2.81Å; E45-S48 VanDerWaalsContact O-N 3.15Å; S48-A51 PolarHBondContact O-N 2.99Å; S48-R52 WeakPolarHBondContact O-CB 3.32Å; S48-R52 PolarHBondContact O-N 3.49Å
49R90.6Very high86.6Confident122 Ų122103.3 Ų103.346%0.4650%0.501SS..Hα-helixtrans-63.6-45.3172.8-68172.8-174.7-149.84.2111E45 L46 N47 R52 Y53E45-R49 WeakPolarHBondContact O-CG 3.29Å; E45-R49 PolarHBondContact O-N 2.85Å; E45-R49 IonicContact OE1-CZ 3.16Å; E45-R49 IonicContact OE1-NE 2.87Å; E45-R49 PolarHBondContact OE1-NE 2.69Å; E45-R49 IonicContact OE1-NH2 3.6Å; E45-R49 PolarHBondContact OE1-NH2 3.2Å; L46-R49 PolarHBondContact O-N 3.48Å; N47-R49 PolarHBondContact O-N 2.89Å; R49-R52 WeakPolarHBondContact O-CB 3.48Å; R49-R52 PolarHBondContact O-N 3.16Å; R49-Y53 HydrophobicContact CB-CE2 4.48Å; R49-Y53 WeakPolarHBondContact O-CD2 3.28Å; R49-Y53 PolarHBondContact O-N 2.94Å
50F92.3Very high87.9Confident114 Ų114105.1 Ų105.150%0.550%0.501SS..Hα-helixtrans-61.5-44.5174.4-81.6-58.8000112.8L46 N47 R52 Y53 I54L46-F50 HydrophobicContact CD1-CD2 4.09Å; L46-F50 HydrophobicContact CD1-CE2 3.67Å; L46-F50 HydrophobicContact CD1-CZ 4.33Å; L46-F50 HydrophobicContact CD2-CE2 4.08Å; L46-F50 HydrophobicContact CG-CD2 3.89Å; L46-F50 HydrophobicContact CG-CE2 3.61Å; L46-F50 WeakPolarHBondContact O-CD2 3.34Å; L46-F50 PolarHBondContact O-N 3.01Å; N47-F50 PolarHBondContact O-N 3.38Å; F50-R52 VanDerWaalsContact C-N 3.27Å; F50-R52 PolarHBondContact O-N 2.95Å; F50-Y53 PolarHBondContact O-N 3.21Å; F50-Y53 VanDerWaalsContact O-N 3.16Å; F50-I54 WeakPolarHBondContact O-CB 3.26Å; F50-I54 VanDerWaalsContact O-CG1 3.28Å; F50-I54 WeakPolarHBondContact O-CG1 3.35Å; F50-I54 PolarHBondContact O-N 2.66Å
51A90.6Very high89.3Confident40 Ų40103 Ų10333%0.33150%0.498SS..Hα-helixtrans-59.5-39.1175.200000111.5N47 S48 N55N47-A51 WeakPolarHBondContact O-CB 3.32Å; N47-A51 PolarHBondContact O-N 3.38Å; S48-A51 PolarHBondContact O-N 2.99Å; A51-N55 VanDerWaalsContact O-CB 3.31Å; A51-N55 WeakPolarHBondContact O-CB 3.29Å; A51-N55 VanDerWaalsContact O-CG 3.27Å; A51-N55 PolarHBondContact O-N 3.17Å; A51-N55 PolarHBondContact O-ND2 3.43Å
52R93.3Very high90.3Very high152 Ų152105.1 Ų105.157%0.57451%0.508SS*.Hα-helixtrans-64.5-43.8173.6-162.9-176.5-55.41307.5112.2S48 R49 F50 N55 R56S48-R52 WeakPolarHBondContact O-CB 3.32Å; S48-R52 PolarHBondContact O-N 3.49Å; R49-R52 WeakPolarHBondContact O-CB 3.48Å; R49-R52 PolarHBondContact O-N 3.16Å; F50-R52 VanDerWaalsContact C-N 3.27Å; F50-R52 PolarHBondContact O-N 2.95Å; R52-N55 PolarHBondContact O-N 3.31Å; R52-R56 WeakPolarHBondContact O-CB 3.4Å; R52-R56 PolarHBondContact O-N 3.42Å
53Y95.5Very high91.2Very high150 Ų150108.9 Ų108.959%0.58851%0.511SS*.Hα-helixtrans-67.1-40.7176.1-72.6-59.1000112.9R49 F50 R56 A57R49-Y53 HydrophobicContact CB-CE2 4.48Å; R49-Y53 WeakPolarHBondContact O-CD2 3.28Å; R49-Y53 PolarHBondContact O-N 2.94Å; F50-Y53 PolarHBondContact O-N 3.21Å; F50-Y53 VanDerWaalsContact O-N 3.16Å; Y53-R56 PolarHBondContact O-N 3.34Å; Y53-A57 WeakPolarHBondContact O-CB 3.45Å; Y53-A57 PolarHBondContact O-N 2.87Å
54I92.4Very high91.8Very high106 Ų106107.4 Ų107.454%0.54450%0.503SS..Hα-helixtrans-63.2-44.2175.1-69164.6000110.3F50 A57 R58F50-I54 WeakPolarHBondContact O-CB 3.26Å; F50-I54 VanDerWaalsContact O-CG1 3.28Å; F50-I54 WeakPolarHBondContact O-CG1 3.35Å; F50-I54 PolarHBondContact O-N 2.66Å; I54-A57 PolarHBondContact O-N 3.25Å; I54-R58 WeakPolarHBondContact O-CB 3.45Å; I54-R58 PolarHBondContact O-N 2.93Å
55N93.5Very high92.5Very high93 Ų93104.4 Ų104.450%0.49750%0.498SS..Hα-helixtrans-64.4-40.8174.9-75.5-26.2000112A51 R52 R58 V59A51-N55 VanDerWaalsContact O-CB 3.31Å; A51-N55 WeakPolarHBondContact O-CB 3.29Å; A51-N55 VanDerWaalsContact O-CG 3.27Å; A51-N55 PolarHBondContact O-N 3.17Å; A51-N55 PolarHBondContact O-ND2 3.43Å; R52-N55 PolarHBondContact O-N 3.31Å; N55-R58 PolarHBondContact O-N 3.47Å; N55-V59 WeakPolarHBondContact O-CG2 3.32Å; N55-V59 PolarHBondContact O-N 2.92Å
56R94.4Very high93Very high165 Ų165103.3 Ų103.362%0.62350%0.497SS*.Hα-helixtrans-61-45.8173.6-178.2176.5176.4173-0.6111.5R52 Y53 V59 L60R52-R56 WeakPolarHBondContact O-CB 3.4Å; R52-R56 PolarHBondContact O-N 3.42Å; Y53-R56 PolarHBondContact O-N 3.34Å; R56-V59 PolarHBondContact O-N 3.17Å; R56-L60 HydrophobicContact CG-CD1 4.06Å; R56-L60 WeakPolarHBondContact O-CB 3.18Å; R56-L60 VanDerWaalsContact O-CG 3.29Å; R56-L60 WeakPolarHBondContact O-CG 3.49Å; R56-L60 PolarHBondContact O-N 3.34Å
57A93.6Very high93.5Very high44 Ų44105.2 Ų105.236%0.36450%0.502SS..Hα-helixtrans-59.8-48176.100000111.2Y53 I54 V59 L60 E61Y53-A57 WeakPolarHBondContact O-CB 3.45Å; Y53-A57 PolarHBondContact O-N 2.87Å; I54-A57 PolarHBondContact O-N 3.25Å; A57-V59 PolarHBondContact O-N 2.93Å; A57-L60 CarbonylContact O-C 3.56Å; A57-L60 PolarHBondContact O-N 2.99Å; A57-L60 VanDerWaalsContact O-N 3.12Å; A57-E61 WeakPolarHBondContact O-CG 3.49Å; A57-E61 PolarHBondContact O-N 3.36Å
58R93.8Very high93.9Very high169 Ų169108.5 Ų108.564%0.63851%0.507SS*.Hα-helixtrans-60.7-40.4178.1-161.4-179.1-148.8157.76.7113.2I54 N55 E61 Q62I54-R58 WeakPolarHBondContact O-CB 3.45Å; I54-R58 PolarHBondContact O-N 2.93Å; N55-R58 PolarHBondContact O-N 3.47Å; R58-E61 PolarHBondContact O-N 2.99Å; R58-Q62 WeakPolarHBondContact O-CB 3.25Å; R58-Q62 PolarHBondContact O-N 3.5Å
59V94.9Very high94.2Very high64 Ų64111.4 Ų111.439%0.38851%0.512SS..Hα-helixtrans-67.4-39.3174.7169.90000111.3N55 R56 A57 Q62 R63N55-V59 WeakPolarHBondContact O-CG2 3.32Å; N55-V59 PolarHBondContact O-N 2.92Å; R56-V59 PolarHBondContact O-N 3.17Å; A57-V59 PolarHBondContact O-N 2.93Å; V59-Q62 PolarHBondContact O-N 3.16Å; V59-R63 WeakPolarHBondContact O-CB 3.42Å; V59-R63 VanDerWaalsContact O-CG 3.27Å; V59-R63 WeakPolarHBondContact O-CG 3.44Å; V59-R63 PolarHBondContact O-N 2.93Å
60L94.6Very high94.3Very high80 Ų80110.1 Ų110.142%0.41951%0.511SS..Hα-helixtrans-68-39.3175.2-71.6170.7000112.2R56 A57 R63 N64R56-L60 HydrophobicContact CG-CD1 4.06Å; R56-L60 WeakPolarHBondContact O-CB 3.18Å; R56-L60 VanDerWaalsContact O-CG 3.29Å; R56-L60 WeakPolarHBondContact O-CG 3.49Å; R56-L60 PolarHBondContact O-N 3.34Å; A57-L60 CarbonylContact O-C 3.56Å; A57-L60 PolarHBondContact O-N 2.99Å; A57-L60 VanDerWaalsContact O-N 3.12Å; L60-R63 PolarHBondContact O-N 2.96Å; L60-N64 VanDerWaalsContact O-CB 3.31Å; L60-N64 WeakPolarHBondContact O-CB 3.48Å; L60-N64 PolarHBondContact O-N 3.16Å; L60-N64 PolarHBondContact O-ND2 3.11Å
61E95Very high94.4Very high130 Ų130109.3 Ų109.361%0.60751%0.511SS*.Hα-helixtrans-61.9-44.9172.2-75.3174.8170.700111.6A57 R58 N64 A65A57-E61 WeakPolarHBondContact O-CG 3.49Å; A57-E61 PolarHBondContact O-N 3.36Å; R58-E61 PolarHBondContact O-N 2.99Å; E61-N64 PolarHBondContact O-N 3.38Å; E61-A65 WeakPolarHBondContact O-CB 3.43Å; E61-A65 PolarHBondContact O-N 3.48Å
62Q95.6Very high94.4Very high135 Ų135110.7 Ų110.763%0.63151%0.511SS*.Hα-helixtrans-63.1-43.6176.3-170.5178.411.800111.6R58 V59 A65 V66R58-Q62 WeakPolarHBondContact O-CB 3.25Å; R58-Q62 PolarHBondContact O-N 3.5Å; V59-Q62 PolarHBondContact O-N 3.16Å; Q62-A65 PolarHBondContact O-N 2.94Å; Q62-V66 WeakPolarHBondContact O-CG2 3.47Å; Q62-V66 PolarHBondContact O-N 2.82Å
63R94Very high94Very high153 Ų153106.8 Ų106.858%0.57750%0.504SS*.Hα-helixtrans-61.9-44.5173.8-73.5173.8-177.3-169.41.3111.6V59 L60 A65 V66 F67V59-R63 WeakPolarHBondContact O-CB 3.42Å; V59-R63 VanDerWaalsContact O-CG 3.27Å; V59-R63 WeakPolarHBondContact O-CG 3.44Å; V59-R63 PolarHBondContact O-N 2.93Å; L60-R63 PolarHBondContact O-N 2.96Å; R63-A65 VanDerWaalsContact C-N 3.33Å; R63-A65 PolarHBondContact O-N 3.4Å; R63-V66 PolarHBondContact O-N 3.1Å; R63-F67 HydrophobicContact CB-CE2 4.35Å; R63-F67 VanDerWaalsContact O-CD2 3.26Å; R63-F67 WeakPolarHBondContact O-CD2 3.49Å; R63-F67 WeakPolarHBondContact O-CG 3.49Å; R63-F67 PolarHBondContact O-N 3.47Å
64N94.9Very high93.5Very high80 Ų80104.3 Ų104.343%0.42850%0.5SS..Hα-helixtrans-64.4-34.9175.6-81.3-29.4000112.7L60 E61 F67 R68L60-N64 VanDerWaalsContact O-CB 3.31Å; L60-N64 WeakPolarHBondContact O-CB 3.48Å; L60-N64 PolarHBondContact O-N 3.16Å; L60-N64 PolarHBondContact O-ND2 3.11Å; E61-N64 PolarHBondContact O-N 3.38Å; N64-F67 PolarHBondContact O-N 3.09Å; N64-R68 WeakPolarHBondContact O-CB 3.24Å; N64-R68 VanDerWaalsContact O-CG 3.25Å; N64-R68 WeakPolarHBondContact O-CG 3.49Å; N64-R68 PolarHBondContact O-N 3.48Å
65A95.9Very high93.1Very high48 Ų48103.6 Ų103.640%0.39750%0.495SS..Hα-helixtrans-65.2-41172.900000111.6E61 Q62 R63 K69E61-A65 WeakPolarHBondContact O-CB 3.43Å; E61-A65 PolarHBondContact O-N 3.48Å; Q62-A65 PolarHBondContact O-N 2.94Å; R63-A65 VanDerWaalsContact C-N 3.33Å; R63-A65 PolarHBondContact O-N 3.4Å; A65-K69 PolarHBondContact O-N 2.89Å
66V95.9Very high92.4Very high74 Ų74104.9 Ų104.945%0.44849%0.493SS..Hα-helixtrans-64-47.8173172.70000111.1Q62 R63 R68 K69 Q70Q62-V66 WeakPolarHBondContact O-CG2 3.47Å; Q62-V66 PolarHBondContact O-N 2.82Å; R63-V66 PolarHBondContact O-N 3.1Å; V66-R68 PolarHBondContact O-N 2.71Å; V66-K69 PolarHBondContact O-N 3.45Å; V66-K69 VanDerWaalsContact O-N 3.13Å; V66-Q70 HydrophobicContact CG1-CG 4.31Å; V66-Q70 WeakPolarHBondContact O-CG 3.39Å; V66-Q70 PolarHBondContact O-N 2.87Å
67F96.1Very high91.2Very high123 Ų123103.2 Ų103.254%0.53949%0.494SS..Hα-helixtrans-61.8-40.9178-70.7-46.8000112.7R63 N64 K69 Q70 L71R63-F67 HydrophobicContact CB-CE2 4.35Å; R63-F67 VanDerWaalsContact O-CD2 3.26Å; R63-F67 WeakPolarHBondContact O-CD2 3.49Å; R63-F67 WeakPolarHBondContact O-CG 3.49Å; R63-F67 PolarHBondContact O-N 3.47Å; N64-F67 PolarHBondContact O-N 3.09Å; F67-K69 VanDerWaalsContact C-N 3.33Å; F67-K69 PolarHBondContact O-N 2.87Å; F67-Q70 PolarHBondContact O-N 3.11Å; F67-L71 WeakPolarHBondContact O-CB 3.32Å; F67-L71 PolarHBondContact O-N 2.87Å
68R95.7Very high90Very high175 Ų175108 Ų10866%0.6651%0.509SS*.Hα-helixtrans-59.9-43.1172.7-74.9172.1-171.8145.81.4111.6N64 V66 L71 E72N64-R68 WeakPolarHBondContact O-CB 3.24Å; N64-R68 VanDerWaalsContact O-CG 3.25Å; N64-R68 WeakPolarHBondContact O-CG 3.49Å; N64-R68 PolarHBondContact O-N 3.48Å; V66-R68 PolarHBondContact O-N 2.71Å; R68-L71 PolarHBondContact O-N 2.82Å; R68-E72 WeakPolarHBondContact O-CB 3.41Å; R68-E72 PolarHBondContact O-N 3.25Å
69K94.6Very high88.7Confident122 Ų122107.4 Ų107.453%0.5351%0.513SS..Hα-helixtrans-68.6-36177.2-76.8-72167-160.50112.9A65 V66 F67 E72 T73A65-K69 PolarHBondContact O-N 2.89Å; V66-K69 PolarHBondContact O-N 3.45Å; V66-K69 VanDerWaalsContact O-N 3.13Å; F67-K69 VanDerWaalsContact C-N 3.33Å; F67-K69 PolarHBondContact O-N 2.87Å; K69-E72 WeakPolarHBondContact CE-OE2 3.2Å; K69-E72 IonicContact NZ-OE1 2.65Å; K69-E72 IonicContact NZ-OE2 3.68Å; K69-E72 PolarHBondContact NZ-OE2 3.14Å; K69-T73 WeakPolarHBondContact O-CG2 3.33Å; K69-T73 PolarHBondContact O-N 3.38Å; K69-T73 PolarHBondContact O-OG1 3.23Å
70Q94.5Very high87.1Confident95 Ų95107.9 Ų107.944%0.44452%0.524SS..Hα-helixtrans-65.1-45.4172.9-74.2174.6-24.100111.5V66 F67 T73 L74V66-Q70 HydrophobicContact CG1-CG 4.31Å; V66-Q70 WeakPolarHBondContact O-CG 3.39Å; V66-Q70 PolarHBondContact O-N 2.87Å; F67-Q70 PolarHBondContact O-N 3.11Å; Q70-T73 WeakPolarHBondContact CA-OG1 3.5Å; Q70-T73 PolarHBondContact O-N 3.42Å; Q70-T73 PolarHBondContact O-OG1 2.94Å; Q70-L74 WeakPolarHBondContact O-CG 3.23Å; Q70-L74 PolarHBondContact O-N 3.23Å
71L92.7Very high85.7Confident97 Ų97107.5 Ų107.551%0.50853%0.527SS..Hα-helixtrans-59.8-47.3174.7-178.762.8000111.5F67 R68 T73 L74 Q75F67-L71 WeakPolarHBondContact O-CB 3.32Å; F67-L71 PolarHBondContact O-N 2.87Å; R68-L71 PolarHBondContact O-N 2.82Å; L71-T73 VanDerWaalsContact C-N 3.27Å; L71-T73 PolarHBondContact O-N 3.47Å; L71-L74 PolarHBondContact O-N 2.92Å; L71-L74 VanDerWaalsContact O-N 3.07Å; L71-Q75 HydrophobicContact CD1-CG 4.26Å; L71-Q75 HydrophobicContact CG-CG 4.46Å; L71-Q75 WeakPolarHBondContact O-CG 3.31Å; L71-Q75 PolarHBondContact O-N 3.42Å
72E90.5Very high84.7Confident70 Ų70103.2 Ų103.233%0.32752%0.519SS..Hα-helixtrans-59.6-35.2176-166.1-159121.600112.2R68 K69 R76R68-E72 WeakPolarHBondContact O-CB 3.41Å; R68-E72 PolarHBondContact O-N 3.25Å; K69-E72 WeakPolarHBondContact CE-OE2 3.2Å; K69-E72 IonicContact NZ-OE1 2.65Å; K69-E72 IonicContact NZ-OE2 3.68Å; K69-E72 PolarHBondContact NZ-OE2 3.14Å; E72-R76 WeakPolarHBondContact O-CB 3.39Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.31Å; E72-R76 PolarHBondContact O-NE 3.24Å; E72-R76 IonicContact OE1-CZ 3.7Å; E72-R76 IonicContact OE1-NE 2.66Å; E72-R76 PolarHBondContact OE1-NE 3.1Å; E72-R76 IonicContact OE1-NH2 2.64Å; E72-R76 PolarHBondContact OE1-NH2 3.43Å
73T85.8Confident84.1Confident70 Ų70102.4 Ų102.443%0.42952%0.518SS..Hα-helixtrans-74-32.1173.351.20000114K69 Q70 L71 M77K69-T73 WeakPolarHBondContact O-CG2 3.33Å; K69-T73 PolarHBondContact O-N 3.38Å; K69-T73 PolarHBondContact O-OG1 3.23Å; Q70-T73 WeakPolarHBondContact CA-OG1 3.5Å; Q70-T73 PolarHBondContact O-N 3.42Å; Q70-T73 PolarHBondContact O-OG1 2.94Å; L71-T73 VanDerWaalsContact C-N 3.27Å; L71-T73 PolarHBondContact O-N 3.47Å; T73-M77 WeakPolarHBondContact O-CB 3.34Å; T73-M77 PolarHBondContact O-N 2.91Å
74L85.1Confident83.7Confident97 Ų97102.1 Ų102.151%0.50852%0.523SS..Hα-helixtrans-73.4-44.2176.6-71.1172.3000111Q70 L71 R76 M77 E78Q70-L74 WeakPolarHBondContact O-CG 3.23Å; Q70-L74 PolarHBondContact O-N 3.23Å; L71-L74 PolarHBondContact O-N 2.92Å; L71-L74 VanDerWaalsContact O-N 3.07Å; L74-R76 PolarHBondContact O-N 3.18Å; L74-M77 HydrophobicContact CD2-CE 3.88Å; L74-M77 CarbonylContact O-C 3.57Å; L74-M77 WeakPolarHBondContact O-CA 3.3Å; L74-M77 WeakPolarHBondContact O-CB 3.47Å; L74-M77 PolarHBondContact O-N 2.99Å; L74-E78 PolarHBondContact O-N 3.04Å
75Q83.4Confident83.4Confident92 Ų92105.1 Ų105.143%0.4354%0.535SS..Hα-helixtrans-58.5-47.3175-72.2176.8-41.600111.3L71 M77 E78 E79L71-Q75 HydrophobicContact CD1-CG 4.26Å; L71-Q75 HydrophobicContact CG-CG 4.46Å; L71-Q75 WeakPolarHBondContact O-CG 3.31Å; L71-Q75 PolarHBondContact O-N 3.42Å; Q75-M77 PolarHBondContact O-N 3.19Å; Q75-M77 VanDerWaalsContact O-N 3.14Å; Q75-E78 PolarHBondContact O-N 2.91Å; Q75-E78 VanDerWaalsContact O-N 3.15Å; Q75-E79 WeakPolarHBondContact O-CB 3.32Å; Q75-E79 VanDerWaalsContact O-CG 3.3Å; Q75-E79 WeakPolarHBondContact O-CG 3.44Å; Q75-E79 PolarHBondContact O-N 3.12Å
76R80.3Confident83Confident119 Ų119105.3 Ų105.345%0.44954%0.536SS..Hα-helixtrans-64.7-15.7174.2-76.5-170.7-85.190.3-4.8114.7E72 L74E72-R76 WeakPolarHBondContact O-CB 3.39Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.31Å; E72-R76 PolarHBondContact O-NE 3.24Å; E72-R76 IonicContact OE1-CZ 3.7Å; E72-R76 IonicContact OE1-NE 2.66Å; E72-R76 PolarHBondContact OE1-NE 3.1Å; E72-R76 IonicContact OE1-NH2 2.64Å; E72-R76 PolarHBondContact OE1-NH2 3.43Å; L74-R76 PolarHBondContact O-N 3.18Å
77M69.1Low82.8Confident131 Ų131107.9 Ų107.965%0.64554%0.541SS*.Hα-helixtrans-91.3-32.1175.2-169.2177.971.200111.6T73 L74 Q75 A80T73-M77 WeakPolarHBondContact O-CB 3.34Å; T73-M77 PolarHBondContact O-N 2.91Å; L74-M77 HydrophobicContact CD2-CE 3.88Å; L74-M77 CarbonylContact O-C 3.57Å; L74-M77 WeakPolarHBondContact O-CA 3.3Å; L74-M77 WeakPolarHBondContact O-CB 3.47Å; L74-M77 PolarHBondContact O-N 2.99Å; Q75-M77 PolarHBondContact O-N 3.19Å; Q75-M77 VanDerWaalsContact O-N 3.14Å; M77-A80 PolarHBondContact O-N 3.4Å
78E68.8Low82.7Confident145 Ų145105.5 Ų105.568%0.67854%0.537SS*.Hα-helixtrans-69.3-43.1170.8-172.6170.6-162.400111.1L74 Q75 A80 S81L74-E78 PolarHBondContact O-N 3.04Å; Q75-E78 PolarHBondContact O-N 2.91Å; Q75-E78 VanDerWaalsContact O-N 3.15Å; E78-A80 PolarHBondContact O-N 2.85Å; E78-S81 VanDerWaalsContact O-CB 3.29Å; E78-S81 WeakPolarHBondContact O-CB 3.47Å; E78-S81 PolarHBondContact O-N 3.04Å; E78-S81 PolarHBondContact O-OG 3.39Å
79E65Low82.7Confident156 Ų156103.5 Ų103.573%0.72954%0.535SS*.THydrogen-bonded Turntrans-63.4-17.1172.6-70.6168.4175.300113.6Q75Q75-E79 WeakPolarHBondContact O-CB 3.32Å; Q75-E79 VanDerWaalsContact O-CG 3.3Å; Q75-E79 WeakPolarHBondContact O-CG 3.44Å; Q75-E79 PolarHBondContact O-N 3.12Å
80A61.6Low82.7Confident74 Ų74102.1 Ų102.161%0.61253%0.531SS*.THydrogen-bonded Turntrans-92.411.3179.800000113.9M77 E78 G82M77-A80 PolarHBondContact O-N 3.4Å; E78-A80 PolarHBondContact O-N 2.85Å; A80-G82 VanDerWaalsContact C-N 3.35Å; A80-G82 PolarHBondContact O-N 3.5Å
81S65.2Low82.9Confident71 Ų71101.3 Ų101.350%0.49753%0.529SS..  trans-80.964.2-170.657.20000115.1E78 L83E78-S81 VanDerWaalsContact O-CB 3.29Å; E78-S81 WeakPolarHBondContact O-CB 3.47Å; E78-S81 PolarHBondContact O-N 3.04Å; E78-S81 PolarHBondContact O-OG 3.39Å; S81-L83 PolarHBondContact O-N 3.45Å
82G75.1Confident83.1Confident41 Ų41100.2 Ų100.242%0.42352%0.521SS..THydrogen-bonded Turntrans-62.25.1171.400000115.9A80 A86A80-G82 VanDerWaalsContact C-N 3.35Å; A80-G82 PolarHBondContact O-N 3.5Å; G82-A86 WeakPolarHBondContact O-CB 3.48Å; G82-A86 PolarHBondContact O-N 3.24Å
83L81.8Confident83.5Confident117 Ų117101 Ų10161%0.61353%0.526SS*.Hα-helixtrans-70.2-36.6177.1-175.764.4000112.1S81 F87S81-L83 PolarHBondContact O-N 3.45Å; L83-F87 HydrophobicContact CD1-CD2 4.08Å; L83-F87 HydrophobicContact CD1-CE2 3.58Å; L83-F87 HydrophobicContact CD1-CZ 4.08Å; L83-F87 HydrophobicContact CD2-CE2 4.05Å; L83-F87 HydrophobicContact CG-CD2 3.89Å; L83-F87 HydrophobicContact CG-CE2 3.58Å; L83-F87 WeakPolarHBondContact O-CD2 3.4Å; L83-F87 PolarHBondContact O-N 3.04Å
84E85.5Confident84Confident147 Ų147101.5 Ų101.569%0.68753%0.526SS*.Hα-helixtrans-68.8-39.1175-174.9171.8-176.400111.3F87 T88E84-F87 PolarHBondContact O-N 2.86Å; E84-T88 WeakPolarHBondContact O-CB 2.97Å; E84-T88 WeakPolarHBondContact O-CG2 3.38Å; E84-T88 PolarHBondContact O-N 3.47Å; E84-T88 PolarHBondContact O-OG1 3.43Å
85E87.9Confident84.7Confident144 Ų144103.4 Ų103.467%0.67353%0.527SS*.Hα-helixtrans-62.9-45.8173.7-166.9168.8-16200111.3F87 T88 E89E85-F87 PolarHBondContact O-N 3.04Å; E85-T88 WeakPolarHBondContact CA-OG1 3.32Å; E85-T88 PolarHBondContact O-N 3.42Å; E85-T88 PolarHBondContact O-OG1 2.96Å; E85-E89 WeakPolarHBondContact O-CB 3.41Å; E85-E89 PolarHBondContact O-N 3.43Å
86A88.9Confident85.4Confident52 Ų52102.8 Ų102.843%0.4352%0.524SS..Hα-helixtrans-62.1-40.6175.500000113.1G82 Q90G82-A86 WeakPolarHBondContact O-CB 3.48Å; G82-A86 PolarHBondContact O-N 3.24Å; A86-Q90 WeakPolarHBondContact O-CB 3.36Å; A86-Q90 PolarHBondContact O-N 3.4Å
87F91.2Very high86.2Confident127 Ų127103.6 Ų103.656%0.55753%0.527SS*.Hα-helixtrans-68.9-38.6175.3-78-51.7000112.5L83 E84 E85 Q90 I91L83-F87 HydrophobicContact CD1-CD2 4.08Å; L83-F87 HydrophobicContact CD1-CE2 3.58Å; L83-F87 HydrophobicContact CD1-CZ 4.08Å; L83-F87 HydrophobicContact CD2-CE2 4.05Å; L83-F87 HydrophobicContact CG-CD2 3.89Å; L83-F87 HydrophobicContact CG-CE2 3.58Å; L83-F87 WeakPolarHBondContact O-CD2 3.4Å; L83-F87 PolarHBondContact O-N 3.04Å; E84-F87 PolarHBondContact O-N 2.86Å; E85-F87 PolarHBondContact O-N 3.04Å; F87-Q90 PolarHBondContact O-N 2.89Å; F87-I91 WeakPolarHBondContact O-CB 3.08Å; F87-I91 WeakPolarHBondContact O-CD1 3.5Å; F87-I91 WeakPolarHBondContact O-CG1 3.34Å; F87-I91 PolarHBondContact O-N 2.97Å
88T93.3Very high87.6Confident74 Ų74102.8 Ų102.845%0.45452%0.524SS..Hα-helixtrans-69.4-38.6177.749.90000112.1E84 E85 I91 E92E84-T88 WeakPolarHBondContact O-CB 2.97Å; E84-T88 WeakPolarHBondContact O-CG2 3.38Å; E84-T88 PolarHBondContact O-N 3.47Å; E84-T88 PolarHBondContact O-OG1 3.43Å; E85-T88 WeakPolarHBondContact CA-OG1 3.32Å; E85-T88 PolarHBondContact O-N 3.42Å; E85-T88 PolarHBondContact O-OG1 2.96Å; T88-I91 PolarHBondContact O-N 2.98Å; T88-E92 PolarHBondContact O-N 3.09Å
89E95.8Very high89.1Confident132 Ų132101.2 Ų101.262%0.61751%0.512SS*.Hα-helixtrans-59.7-49.8170.7-172.2-179.1-168.400111.1E85 I91 E92 I93E85-E89 WeakPolarHBondContact O-CB 3.41Å; E85-E89 PolarHBondContact O-N 3.43Å; E89-I91 VanDerWaalsContact C-N 3.32Å; E89-I91 PolarHBondContact O-N 2.98Å; E89-E92 PolarHBondContact O-N 2.94Å; E89-E92 VanDerWaalsContact O-N 3.1Å; E89-I93 HydrophobicContact CG-CD1 3.98Å; E89-I93 WeakPolarHBondContact O-CG1 3.15Å; E89-I93 PolarHBondContact O-N 3.29Å
90Q96.3Very high90.6Very high94 Ų9497.3 Ų97.344%0.43949%0.494SS..Hα-helixtrans-63.2-36.5178.8-173.160.75900112.5A86 F87 N94A86-Q90 WeakPolarHBondContact O-CB 3.36Å; A86-Q90 PolarHBondContact O-N 3.4Å; F87-Q90 PolarHBondContact O-N 2.89Å; Q90-N94 PolarHBondContact NE2-OD1 2.92Å; Q90-N94 WeakPolarHBondContact O-CB 3.4Å; Q90-N94 PolarHBondContact O-N 3.47Å; Q90-N94 PolarHBondContact O-ND2 2.8Å
91I96.9Very high92.4Very high78 Ų7898.2 Ų98.240%0.449%0.488SS..Hα-helixtrans-63.2-42173.4-74.6164.3000110.6F87 T88 E89 N94 R95F87-I91 WeakPolarHBondContact O-CB 3.08Å; F87-I91 WeakPolarHBondContact O-CD1 3.5Å; F87-I91 WeakPolarHBondContact O-CG1 3.34Å; F87-I91 PolarHBondContact O-N 2.97Å; T88-I91 PolarHBondContact O-N 2.98Å; E89-I91 VanDerWaalsContact C-N 3.32Å; E89-I91 PolarHBondContact O-N 2.98Å; I91-N94 PolarHBondContact O-N 3.13Å; I91-R95 HydrophobicContact CG2-CG 4.49Å; I91-R95 WeakPolarHBondContact O-CB 3.39Å; I91-R95 VanDerWaalsContact O-CG 3.28Å; I91-R95 WeakPolarHBondContact O-CG 3.32Å; I91-R95 PolarHBondContact O-N 3.36Å
92E97.7Very high93.9Very high73 Ų7398.4 Ų98.434%0.34149%0.489SS..Hα-helixtrans-73.7-34.9-179.8-164.252.3-13700112.6T88 E89 N94 R95 Q96 R99T88-E92 PolarHBondContact O-N 3.09Å; E89-E92 PolarHBondContact O-N 2.94Å; E89-E92 VanDerWaalsContact O-N 3.1Å; E92-N94 VanDerWaalsContact C-N 3.35Å; E92-R95 PolarHBondContact O-N 3.05Å; E92-R95 WeakPolarHBondContact OE2-CD 3.49Å; E92-R95 IonicContact OE2-NH1 2.97Å; E92-R95 PolarHBondContact OE2-NH1 3.27Å; E92-R95 VanDerWaalsContact OE2-NH1 3.12Å; E92-Q96 WeakPolarHBondContact O-CB 3.38Å; E92-Q96 PolarHBondContact O-N 3.15Å; E92-R99 IonicContact OE1-CZ 3.43Å; E92-R99 VanDerWaalsContact OE1-CZ 3.27Å; E92-R99 IonicContact OE1-NH1 2.74Å; E92-R99 PolarHBondContact OE1-NH1 2.9Å; E92-R99 IonicContact OE1-NH2 3.16Å; E92-R99 PolarHBondContact OE1-NH2 3.38Å
93I98Very high95Very high87 Ų8799.5 Ų99.545%0.44649%0.49SS..Hα-helixtrans-59.6-45.9168.5-68.5167000110.4E89 R95 Q96 R97E89-I93 HydrophobicContact CG-CD1 3.98Å; E89-I93 WeakPolarHBondContact O-CG1 3.15Å; E89-I93 PolarHBondContact O-N 3.29Å; I93-R95 PolarHBondContact O-N 2.94Å; I93-Q96 PolarHBondContact O-N 2.98Å; I93-R97 WeakPolarHBondContact O-CB 3.42Å; I93-R97 PolarHBondContact O-N 2.96Å
94N98Very high95.7Very high80 Ų8098.2 Ų98.243%0.42848%0.481SS..Hα-helixtrans-63.7-42177.5-71.9-14.5000111.8Q90 I91 E92 R97 I98Q90-N94 PolarHBondContact NE2-OD1 2.92Å; Q90-N94 WeakPolarHBondContact O-CB 3.4Å; Q90-N94 PolarHBondContact O-N 3.47Å; Q90-N94 PolarHBondContact O-ND2 2.8Å; I91-N94 PolarHBondContact O-N 3.13Å; E92-N94 VanDerWaalsContact C-N 3.35Å; N94-R97 PolarHBondContact O-N 3.32Å; N94-I98 VanDerWaalsContact O-CG1 3.3Å; N94-I98 WeakPolarHBondContact O-CG1 3.37Å; N94-I98 PolarHBondContact O-N 3.48Å
95R98.2Very high96.3Very high137 Ų13796.8 Ų96.852%0.51747%0.474SS..Hα-helixtrans-62.9-43.6174-74.71671741731.7112I91 E92 I93 R97 I98 R99I91-R95 HydrophobicContact CG2-CG 4.49Å; I91-R95 WeakPolarHBondContact O-CB 3.39Å; I91-R95 VanDerWaalsContact O-CG 3.28Å; I91-R95 WeakPolarHBondContact O-CG 3.32Å; I91-R95 PolarHBondContact O-N 3.36Å; E92-R95 PolarHBondContact O-N 3.05Å; E92-R95 WeakPolarHBondContact OE2-CD 3.49Å; E92-R95 IonicContact OE2-NH1 2.97Å; E92-R95 PolarHBondContact OE2-NH1 3.27Å; E92-R95 VanDerWaalsContact OE2-NH1 3.12Å; I93-R95 PolarHBondContact O-N 2.94Å; R95-R97 VanDerWaalsContact C-N 3.3Å; R95-R97 PolarHBondContact O-N 3.25Å; R95-I98 PolarHBondContact O-N 3.43Å; R95-R99 WeakPolarHBondContact O-CG 3.42Å; R95-R99 PolarHBondContact O-N 3.34Å
96Q98.4Very high96.7Very high80 Ų8091.2 Ų91.237%0.37446%0.456SS..Hα-helixtrans-59.6-43174.517854.525.300111.1E92 I93 I98 R99 E100E92-Q96 WeakPolarHBondContact O-CB 3.38Å; E92-Q96 PolarHBondContact O-N 3.15Å; I93-Q96 PolarHBondContact O-N 2.98Å; Q96-I98 PolarHBondContact O-N 2.9Å; Q96-R99 WeakPolarHBondContact O-CB 3.41Å; Q96-R99 PolarHBondContact O-N 2.94Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.29Å; Q96-E100 PolarHBondContact NE2-OE1 2.85Å; Q96-E100 WeakPolarHBondContact O-CG 3.33Å; Q96-E100 PolarHBondContact O-N 2.96Å
97R98.4Very high97.1Very high136 Ų13692.2 Ų92.251%0.51345%0.45SS..Hα-helixtrans-65-38.3177.2-171.355.7177.3169.72.5112.8I93 N94 R95 E100 L101I93-R97 WeakPolarHBondContact O-CB 3.42Å; I93-R97 PolarHBondContact O-N 2.96Å; N94-R97 PolarHBondContact O-N 3.32Å; R95-R97 VanDerWaalsContact C-N 3.3Å; R95-R97 PolarHBondContact O-N 3.25Å; R97-E100 IonicContact NH1-OE2 2.73Å; R97-E100 PolarHBondContact NH1-OE2 3.41Å; R97-E100 PolarHBondContact O-N 3.44Å; R97-L101 HydrophobicContact CG-CD1 4.12Å; R97-L101 WeakPolarHBondContact O-CB 3.49Å; R97-L101 VanDerWaalsContact O-CG 3.29Å; R97-L101 WeakPolarHBondContact O-CG 3.41Å; R97-L101 PolarHBondContact O-N 2.92Å
98I98.4Very high97.4Very high113 Ų11391.4 Ų91.458%0.57945%0.451SS*.Hα-helixtrans-63.2-43.5172.8-69.3162.6000110.7N94 R95 Q96 E100 L101 S102N94-I98 VanDerWaalsContact O-CG1 3.3Å; N94-I98 WeakPolarHBondContact O-CG1 3.37Å; N94-I98 PolarHBondContact O-N 3.48Å; R95-I98 PolarHBondContact O-N 3.43Å; Q96-I98 PolarHBondContact O-N 2.9Å; I98-E100 PolarHBondContact O-N 3.23Å; I98-L101 PolarHBondContact O-N 3.11Å; I98-S102 WeakPolarHBondContact O-CB 3.42Å; I98-S102 PolarHBondContact O-N 2.96Å; I98-S102 PolarHBondContact O-OG 3.33Å
99R98.5Very high97.6Very high113 Ų11391.8 Ų91.843%0.42645%0.448SS..Hα-helixtrans-59-48.1175.8-70.8-176.3-63.4-108.16.6111.3E92 R95 Q96 S102 S103E92-R99 IonicContact OE1-CZ 3.43Å; E92-R99 VanDerWaalsContact OE1-CZ 3.27Å; E92-R99 IonicContact OE1-NH1 2.74Å; E92-R99 PolarHBondContact OE1-NH1 2.9Å; E92-R99 IonicContact OE1-NH2 3.16Å; E92-R99 PolarHBondContact OE1-NH2 3.38Å; R95-R99 WeakPolarHBondContact O-CG 3.42Å; R95-R99 PolarHBondContact O-N 3.34Å; Q96-R99 WeakPolarHBondContact O-CB 3.41Å; Q96-R99 PolarHBondContact O-N 2.94Å; R99-S102 PolarHBondContact O-N 3.44Å; R99-S102 PolarHBondContact O-OG 3.06Å; R99-S103 PolarHBondContact O-N 3.4Å
100E98.1Very high97.7Very high74 Ų7491.5 Ų91.535%0.34644%0.441SS..Hα-helixtrans-58.4-52.6175.7-73.3166-164.900112.1Q96 R97 I98 S102 S103 E104Q96-E100 WeakPolarHBondContact CG-OE1 3.29Å; Q96-E100 PolarHBondContact NE2-OE1 2.85Å; Q96-E100 WeakPolarHBondContact O-CG 3.33Å; Q96-E100 PolarHBondContact O-N 2.96Å; R97-E100 IonicContact NH1-OE2 2.73Å; R97-E100 PolarHBondContact NH1-OE2 3.41Å; R97-E100 PolarHBondContact O-N 3.44Å; I98-E100 PolarHBondContact O-N 3.23Å; E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 3.05Å; E100-S103 WeakPolarHBondContact O-CB 3.42Å; E100-S103 PolarHBondContact O-N 3.17Å; E100-S103 VanDerWaalsContact O-N 3.09Å; E100-E104 PolarHBondContact O-N 3Å
101L98Very high97.7Very high93 Ų9392.1 Ų92.149%0.48744%0.444SS..Hα-helixtrans-61-36.9179.7-71.3170.9000112.2R97 I98 E104 H105R97-L101 HydrophobicContact CG-CD1 4.12Å; R97-L101 WeakPolarHBondContact O-CB 3.49Å; R97-L101 VanDerWaalsContact O-CG 3.29Å; R97-L101 WeakPolarHBondContact O-CG 3.41Å; R97-L101 PolarHBondContact O-N 2.92Å; I98-L101 PolarHBondContact O-N 3.11Å; L101-E104 PolarHBondContact O-N 2.66Å; L101-H105 VanDerWaalsContact O-CB 3.31Å; L101-H105 WeakPolarHBondContact O-CB 3.26Å; L101-H105 PolarHBondContact O-N 3Å
102S97.6Very high97.6Very high75 Ų7593.8 Ų93.852%0.52445%0.453SS..Hα-helixtrans-68.5-34.1175.873.10000112.8I98 R99 E100 G106I98-S102 WeakPolarHBondContact O-CB 3.42Å; I98-S102 PolarHBondContact O-N 2.96Å; I98-S102 PolarHBondContact O-OG 3.33Å; R99-S102 PolarHBondContact O-N 3.44Å; R99-S102 PolarHBondContact O-OG 3.06Å; E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 3.05Å; S102-G106 PolarHBondContact O-N 3.03Å
103S98Very high97.6Very high64 Ų6495.7 Ų95.745%0.44846%0.457SS..Hα-helixtrans-67.3-47.8173-174.70000111.6R99 E100 G106 K107R99-S103 PolarHBondContact O-N 3.4Å; E100-S103 WeakPolarHBondContact O-CB 3.42Å; E100-S103 PolarHBondContact O-N 3.17Å; E100-S103 VanDerWaalsContact O-N 3.09Å; S103-G106 CarbonylContact O-C 3.59Å; S103-G106 PolarHBondContact O-N 3.41Å; S103-K107 WeakPolarHBondContact O-CG 3.36Å; S103-K107 PolarHBondContact O-N 2.97Å
104E97.6Very high97.4Very high89 Ų8996.8 Ų96.842%0.41646%0.46SS..Hα-helixtrans-64.3-40.5177.1-60.3-46.9129.400111.8E100 L101 G106 K107 L108E100-E104 PolarHBondContact O-N 3Å; L101-E104 PolarHBondContact O-N 2.66Å; E104-G106 VanDerWaalsContact C-N 3.34Å; E104-G106 PolarHBondContact O-N 3.48Å; E104-K107 WeakPolarHBondContact O-CB 3.26Å; E104-K107 PolarHBondContact O-N 3.39Å; E104-K107 VanDerWaalsContact O-N 3.12Å; E104-K107 IonicContact OE1-NZ 3.96Å; E104-K107 PolarHBondContact OE1-NZ 2.88Å; E104-K107 VanDerWaalsContact OE2-CD 3.3Å; E104-K107 WeakPolarHBondContact OE2-CD 3.45Å; E104-K107 IonicContact OE2-NZ 2.61Å; E104-K107 PolarHBondContact OE2-NZ 3.19Å; E104-L108 WeakPolarHBondContact O-CG 3.47Å; E104-L108 PolarHBondContact O-N 2.91Å
105H97.3Very high97.3Very high118 Ų11895.8 Ų95.855%0.54646%0.463SS..Hα-helixtrans-57.1-47.3170.9-177-74.8000111.2L101 K107 L108 E109L101-H105 VanDerWaalsContact O-CB 3.31Å; L101-H105 WeakPolarHBondContact O-CB 3.26Å; L101-H105 PolarHBondContact O-N 3Å; H105-K107 PolarHBondContact O-N 3.11Å; H105-L108 PolarHBondContact O-N 3.43Å; H105-E109 IonicContact CE1-OE2 3.87Å; H105-E109 IonicContact ND1-OE2 2.7Å; H105-E109 VanDerWaalsContact O-CB 3.29Å; H105-E109 WeakPolarHBondContact O-CB 3.42Å; H105-E109 PolarHBondContact O-N 2.92Å
106G96.7Very high97Very high27 Ų2792.1 Ų92.128%0.27846%0.458SS..Hα-helixtrans-66.8-17.5176.900000115.1S102 S103 E104 R110S102-G106 PolarHBondContact O-N 3.03Å; S103-G106 CarbonylContact O-C 3.59Å; S103-G106 PolarHBondContact O-N 3.41Å; E104-G106 VanDerWaalsContact C-N 3.34Å; E104-G106 PolarHBondContact O-N 3.48Å; G106-R110 WeakPolarHBondContact O-CG 3.45Å; G106-R110 PolarHBondContact O-NE 2.9Å
107K97.7Very high96.9Very high72 Ų7294.6 Ų94.631%0.31346%0.464SS..Hα-helixtrans-78.9-55.5167.5-67170-170.91730110.8S103 E104 H105 E109 R110 E111S103-K107 WeakPolarHBondContact O-CG 3.36Å; S103-K107 PolarHBondContact O-N 2.97Å; E104-K107 WeakPolarHBondContact O-CB 3.26Å; E104-K107 PolarHBondContact O-N 3.39Å; E104-K107 VanDerWaalsContact O-N 3.12Å; E104-K107 IonicContact OE1-NZ 3.96Å; E104-K107 PolarHBondContact OE1-NZ 2.88Å; E104-K107 VanDerWaalsContact OE2-CD 3.3Å; E104-K107 WeakPolarHBondContact OE2-CD 3.45Å; E104-K107 IonicContact OE2-NZ 2.61Å; E104-K107 PolarHBondContact OE2-NZ 3.19Å; H105-K107 PolarHBondContact O-N 3.11Å; K107-E109 PolarHBondContact O-N 3.24Å; K107-R110 WeakPolarHBondContact O-CA 3.38Å; K107-R110 WeakPolarHBondContact O-CB 3.4Å; K107-R110 PolarHBondContact O-N 3.5Å; K107-E111 PolarHBondContact O-N 3.43Å
108L96.6Very high96.6Very high110 Ų11092.3 Ų92.358%0.57646%0.46SS*.Hα-helixtrans-57.3-36.9-179.8-68.6170.9000112.1E104 H105 R110 E111 L112E104-L108 WeakPolarHBondContact O-CG 3.47Å; E104-L108 PolarHBondContact O-N 2.91Å; H105-L108 PolarHBondContact O-N 3.43Å; L108-R110 VanDerWaalsContact C-N 3.34Å; L108-R110 PolarHBondContact O-N 3.11Å; L108-E111 PolarHBondContact O-N 2.7Å; L108-L112 VanDerWaalsContact O-CB 3.3Å; L108-L112 WeakPolarHBondContact O-CB 3.46Å; L108-L112 PolarHBondContact O-N 3.02Å
109E97.6Very high96.4Very high82 Ų8292.1 Ų92.138%0.38346%0.46SS..Hα-helixtrans-68.9-30.9176.6-160.1-155.9117.900112.8H105 K107 R113H105-E109 IonicContact CE1-OE2 3.87Å; H105-E109 IonicContact ND1-OE2 2.7Å; H105-E109 VanDerWaalsContact O-CB 3.29Å; H105-E109 WeakPolarHBondContact O-CB 3.42Å; H105-E109 PolarHBondContact O-N 2.92Å; K107-E109 PolarHBondContact O-N 3.24Å; E109-R113 WeakPolarHBondContact O-CB 3.32Å; E109-R113 VanDerWaalsContact O-CG 3.32Å; E109-R113 WeakPolarHBondContact O-CG 3.33Å; E109-R113 PolarHBondContact O-N 3.49Å; E109-R113 VanDerWaalsContact O-N 3.11Å; E109-R113 PolarHBondContact O-NE 3.12Å; E109-R113 IonicContact OE1-CZ 3.54Å; E109-R113 IonicContact OE1-NE 3.49Å; E109-R113 PolarHBondContact OE1-NE 3.38Å; E109-R113 VanDerWaalsContact OE1-NE 3.13Å; E109-R113 IonicContact OE1-NH2 2.66Å; E109-R113 PolarHBondContact OE1-NH2 2.91Å
110R97Very high96.1Very high126 Ų12691.1 Ų91.148%0.47546%0.463SS..Hα-helixtrans-73.1-44.1172-74.4-178.3-64104.4-6.3111.4G106 K107 L108 L112 R113 E114G106-R110 WeakPolarHBondContact O-CG 3.45Å; G106-R110 PolarHBondContact O-NE 2.9Å; K107-R110 WeakPolarHBondContact O-CA 3.38Å; K107-R110 WeakPolarHBondContact O-CB 3.4Å; K107-R110 PolarHBondContact O-N 3.5Å; L108-R110 VanDerWaalsContact C-N 3.34Å; L108-R110 PolarHBondContact O-N 3.11Å; R110-L112 VanDerWaalsContact C-N 3.35Å; R110-R113 PolarHBondContact O-N 3.38Å; R110-E114 WeakPolarHBondContact O-CB 3.33Å; R110-E114 PolarHBondContact O-N 2.87Å
111E96.5Very high95.8Very high107 Ų10791.4 Ų91.450%0.547%0.467SS..Hα-helixtrans-60.7-43.1176.2-70.9166.8-15700111.2K107 L108 E114 A115K107-E111 PolarHBondContact O-N 3.43Å; L108-E111 PolarHBondContact O-N 2.7Å; E111-E114 PolarHBondContact O-N 3.37Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 2.84Å
112L96.3Very high95.4Very high113 Ų11393.9 Ų93.959%0.59247%0.47SS*.Hα-helixtrans-60.1-48.1172.417863.8000111.5L108 R110 E114 A115 C116L108-L112 VanDerWaalsContact O-CB 3.3Å; L108-L112 WeakPolarHBondContact O-CB 3.46Å; L108-L112 PolarHBondContact O-N 3.02Å; R110-L112 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.12Å; L112-A115 PolarHBondContact O-N 3.35Å; L112-C116 PolarHBondContact O-N 3.27Å; L112-C116 PolarHBondContact O-SG 2.92Å
113R97Very high95.1Very high114 Ų11492.8 Ų92.843%0.4346%0.461SS..Hα-helixtrans-62.7-29177.1-78.9-176.3-88.1110.6-8.1112.8E109 R110 R117E109-R113 WeakPolarHBondContact O-CB 3.32Å; E109-R113 VanDerWaalsContact O-CG 3.32Å; E109-R113 WeakPolarHBondContact O-CG 3.33Å; E109-R113 PolarHBondContact O-N 3.49Å; E109-R113 VanDerWaalsContact O-N 3.11Å; E109-R113 PolarHBondContact O-NE 3.12Å; E109-R113 IonicContact OE1-CZ 3.54Å; E109-R113 IonicContact OE1-NE 3.49Å; E109-R113 PolarHBondContact OE1-NE 3.38Å; E109-R113 VanDerWaalsContact OE1-NE 3.13Å; E109-R113 IonicContact OE1-NH2 2.66Å; E109-R113 PolarHBondContact OE1-NH2 2.91Å; R110-R113 PolarHBondContact O-N 3.38Å; R113-R117 WeakPolarHBondContact O-CG 3.34Å; R113-R117 PolarHBondContact O-N 3.41Å; R113-R117 PolarHBondContact O-NH1 3.08Å
114E94Very high94.7Very high109 Ų10994 Ų9451%0.50946%0.462SS..Hα-helixtrans-76.4-45.4175.3-171.3166.117800111.9R110 E111 L112 C116 R117 M118R110-E114 WeakPolarHBondContact O-CB 3.33Å; R110-E114 PolarHBondContact O-N 2.87Å; E111-E114 PolarHBondContact O-N 3.37Å; L112-E114 PolarHBondContact O-N 3.12Å; E114-C116 VanDerWaalsContact C-N 3.31Å; E114-C116 PolarHBondContact O-N 3.47Å; E114-R117 PolarHBondContact O-N 3.47Å; E114-M118 WeakPolarHBondContact O-CG 3.49Å; E114-M118 PolarHBondContact O-N 2.89Å
115A94.8Very high94.6Very high59 Ų5995.9 Ų95.949%0.48847%0.469SS..Hα-helixtrans-58.8-40.3173.100000112.3E111 L112 M118 L119E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 2.84Å; L112-A115 PolarHBondContact O-N 3.35Å; A115-M118 PolarHBondContact O-N 2.87Å; A115-L119 WeakPolarHBondContact O-CB 3.33Å; A115-L119 PolarHBondContact O-N 3.38Å
116C93Very high94.2Very high60 Ų6098 Ų9841%0.40547%0.473SS..Hα-helixtrans-62-46.6173.8-67.30000112.2L112 E114 M118 L119 D120L112-C116 PolarHBondContact O-N 3.27Å; L112-C116 PolarHBondContact O-SG 2.92Å; E114-C116 VanDerWaalsContact C-N 3.31Å; E114-C116 PolarHBondContact O-N 3.47Å; C116-M118 VanDerWaalsContact C-N 3.34Å; C116-M118 PolarHBondContact O-N 3.36Å; C116-L119 WeakPolarHBondContact O-CB 3.38Å; C116-L119 PolarHBondContact O-N 3.34Å; C116-D120 PolarHBondContact O-N 3.01Å
117R95.1Very high94Very high132 Ų132102 Ų10250%0.49848%0.483SS..Hα-helixtrans-59.9-44176.2-73-171.7-54.2-83.92.4111.8R113 E114 L119 D120 D121R113-R117 WeakPolarHBondContact O-CG 3.34Å; R113-R117 PolarHBondContact O-N 3.41Å; R113-R117 PolarHBondContact O-NH1 3.08Å; E114-R117 PolarHBondContact O-N 3.47Å; R117-L119 VanDerWaalsContact C-N 3.32Å; R117-L119 PolarHBondContact O-N 2.89Å; R117-D120 PolarHBondContact O-N 3.39Å; R117-D121 PolarHBondContact O-N 3.12Å
118M93.4Very high93.6Very high88 Ų88101.9 Ų101.943%0.43349%0.491SS..Hα-helixtrans-61.2-40.8176.2-69.5-62.3-60.400111.9E114 A115 C116 D121 Y122E114-M118 WeakPolarHBondContact O-CG 3.49Å; E114-M118 PolarHBondContact O-N 2.89Å; A115-M118 PolarHBondContact O-N 2.87Å; C116-M118 VanDerWaalsContact C-N 3.34Å; C116-M118 PolarHBondContact O-N 3.36Å; M118-D121 PolarHBondContact O-N 3.02Å; M118-Y122 HydrophobicContact CE-CE2 3.78Å; M118-Y122 WeakPolarHBondContact O-CD2 3.47Å; M118-Y122 PolarHBondContact O-N 3.2Å
119L94.1Very high93.5Very high110 Ų110101.1 Ų101.158%0.57649%0.485SS*.Hα-helixtrans-64.4-42.7176179.462.9000111.9A115 C116 R117 Y122 T123A115-L119 WeakPolarHBondContact O-CB 3.33Å; A115-L119 PolarHBondContact O-N 3.38Å; C116-L119 WeakPolarHBondContact O-CB 3.38Å; C116-L119 PolarHBondContact O-N 3.34Å; R117-L119 VanDerWaalsContact C-N 3.32Å; R117-L119 PolarHBondContact O-N 2.89Å; L119-Y122 PolarHBondContact O-N 2.96Å; L119-T123 VanDerWaalsContact O-CB 3.28Å; L119-T123 WeakPolarHBondContact O-CB 3.44Å; L119-T123 PolarHBondContact O-N 3.37Å; L119-T123 PolarHBondContact O-OG1 3.38Å
120D92.7Very high93Very high92 Ų9299.3 Ų99.349%0.49248%0.481SS..Hα-helixtrans-61.8-44.2175.2-68.4-31.7000110.9C116 R117 T123 N124C116-D120 PolarHBondContact O-N 3.01Å; R117-D120 PolarHBondContact O-N 3.39Å; D120-T123 PolarHBondContact O-N 2.88Å; D120-N124 WeakPolarHBondContact O-CB 3.33Å; D120-N124 PolarHBondContact O-N 2.85Å; D120-N124 PolarHBondContact O-ND2 2.87Å; D120-N124 VanDerWaalsContact O-ND2 3.15Å
121D91.6Very high92.7Very high80 Ų8098.4 Ų98.443%0.42849%0.485SS..Hα-helixtrans-61.9-44176.8-74-22.2000112.6R117 M118 N124 K125R117-D121 PolarHBondContact O-N 3.12Å; M118-D121 PolarHBondContact O-N 3.02Å; D121-N124 PolarHBondContact O-N 3.28Å; D121-K125 WeakPolarHBondContact O-CB 3.37Å; D121-K125 VanDerWaalsContact O-CG 3.28Å; D121-K125 WeakPolarHBondContact O-CG 3.46Å; D121-K125 PolarHBondContact O-N 2.95Å
122Y89.4Confident92.4Very high144 Ų14499.6 Ų99.657%0.56549%0.486SS*.Hα-helixtrans-66.8-38.8174.4-76.9-61.3000112.1M118 L119 N124 K125 Y126M118-Y122 HydrophobicContact CE-CE2 3.78Å; M118-Y122 WeakPolarHBondContact O-CD2 3.47Å; M118-Y122 PolarHBondContact O-N 3.2Å; L119-Y122 PolarHBondContact O-N 2.96Å; Y122-N124 VanDerWaalsContact C-N 3.33Å; Y122-N124 PolarHBondContact O-N 3.42Å; Y122-K125 PolarHBondContact O-N 3.24Å; Y122-Y126 WeakPolarHBondContact O-CB 3.49Å; Y122-Y126 PolarHBondContact O-N 3.44Å
123T91.6Very high92.1Very high53 Ų5399.4 Ų99.433%0.32548%0.482SS..Hα-helixtrans-63.7-40.1176.5-60.10000111.3L119 D120 K127L119-T123 VanDerWaalsContact O-CB 3.28Å; L119-T123 WeakPolarHBondContact O-CB 3.44Å; L119-T123 PolarHBondContact O-N 3.37Å; L119-T123 PolarHBondContact O-OG1 3.38Å; D120-T123 PolarHBondContact O-N 2.88Å; T123-K127 HydrophobicContact CG2-CD 4.47Å; T123-K127 WeakPolarHBondContact O-CG 3.46Å; T123-K127 PolarHBondContact O-N 2.88Å; T123-K127 VanDerWaalsContact O-N 3.08Å
124N89.4Confident91.9Very high89 Ų8999.5 Ų99.548%0.47649%0.487SS..Hα-helixtrans-68.9-43.3176.8-69-27.2000111.7D120 D121 Y122 Y126 K127 S128D120-N124 WeakPolarHBondContact O-CB 3.33Å; D120-N124 PolarHBondContact O-N 2.85Å; D120-N124 PolarHBondContact O-ND2 2.87Å; D120-N124 VanDerWaalsContact O-ND2 3.15Å; D121-N124 PolarHBondContact O-N 3.28Å; Y122-N124 VanDerWaalsContact C-N 3.33Å; Y122-N124 PolarHBondContact O-N 3.42Å; N124-Y126 VanDerWaalsContact C-N 3.35Å; N124-Y126 PolarHBondContact O-N 3.42Å; N124-K127 PolarHBondContact O-N 3.26Å; N124-S128 PolarHBondContact O-N 2.93Å; N124-S128 PolarHBondContact O-OG 3.05Å
125K94.5Very high91.8Very high129 Ų129100.6 Ų100.656%0.56149%0.493SS*.Hα-helixtrans-60.1-42.4173.9-73.9167.4-176.1170.50112.4D121 Y122 S128 E129D121-K125 WeakPolarHBondContact O-CB 3.37Å; D121-K125 VanDerWaalsContact O-CG 3.28Å; D121-K125 WeakPolarHBondContact O-CG 3.46Å; D121-K125 PolarHBondContact O-N 2.95Å; Y122-K125 PolarHBondContact O-N 3.24Å; K125-S128 WeakPolarHBondContact CA-OG 3.33Å; K125-S128 PolarHBondContact O-N 3.45Å; K125-S128 PolarHBondContact O-OG 3.42Å; K125-E129 WeakPolarHBondContact O-CB 3.36Å; K125-E129 PolarHBondContact O-N 2.91Å
126Y89.5Confident91.6Very high163 Ų163102.1 Ų102.164%0.63949%0.492SS*.Hα-helixtrans-62.2-43.8176.3176.2-97.2000111.9Y122 N124 E129 C130Y122-Y126 WeakPolarHBondContact O-CB 3.49Å; Y122-Y126 PolarHBondContact O-N 3.44Å; N124-Y126 VanDerWaalsContact C-N 3.35Å; N124-Y126 PolarHBondContact O-N 3.42Å; Y126-E129 PolarHBondContact O-N 2.96Å; Y126-C130 VanDerWaalsContact CE1-SG 3.58Å; Y126-C130 VanDerWaalsContact CZ-SG 3.56Å; Y126-C130 PolarHBondContact O-N 3.38Å; Y126-C130 PolarHBondContact O-SG 2.95Å
127K92.7Very high91.8Very high110 Ų110106.6 Ų106.648%0.47850%0.501SS..Hα-helixtrans-60.7-50.3174.9-72.4167.7-177.1170.20111.8T123 N124 E129 C130 D131T123-K127 HydrophobicContact CG2-CD 4.47Å; T123-K127 WeakPolarHBondContact O-CG 3.46Å; T123-K127 PolarHBondContact O-N 2.88Å; T123-K127 VanDerWaalsContact O-N 3.08Å; N124-K127 PolarHBondContact O-N 3.26Å; K127-E129 VanDerWaalsContact C-N 3.25Å; K127-E129 PolarHBondContact O-N 2.97Å; K127-C130 WeakPolarHBondContact O-CB 3.47Å; K127-C130 PolarHBondContact O-N 3.32Å; K127-D131 PolarHBondContact O-N 3.25Å
128S88.5Confident91.8Very high69 Ų69102 Ų10248%0.48350%0.495SS..Hα-helixtrans-61.8-32.7179.2550000113.3N124 K125 Y132N124-S128 PolarHBondContact O-N 2.93Å; N124-S128 PolarHBondContact O-OG 3.05Å; K125-S128 WeakPolarHBondContact CA-OG 3.33Å; K125-S128 PolarHBondContact O-N 3.45Å; K125-S128 PolarHBondContact O-OG 3.42Å; S128-Y132 WeakPolarHBondContact O-CB 3.48Å; S128-Y132 PolarHBondContact O-N 2.93Å
129E94.3Very high92Very high94 Ų94101 Ų10144%0.43949%0.493SS..Hα-helixtrans-69.5-40173.7-17861-14900111.4K125 Y126 K127 Y132 Q133K125-E129 WeakPolarHBondContact O-CB 3.36Å; K125-E129 PolarHBondContact O-N 2.91Å; Y126-E129 PolarHBondContact O-N 2.96Å; K127-E129 VanDerWaalsContact C-N 3.25Å; K127-E129 PolarHBondContact O-N 2.97Å; E129-Y132 PolarHBondContact O-N 3.2Å; E129-Q133 WeakPolarHBondContact O-CB 3.5Å; E129-Q133 VanDerWaalsContact O-CG 3.26Å; E129-Q133 WeakPolarHBondContact O-CG 3.45Å; E129-Q133 PolarHBondContact O-N 2.88Å; E129-Q133 PolarHBondContact OE1-NE2 2.66Å
130C87.4Confident92Very high45 Ų45101.3 Ų101.330%0.30450%0.495SS..Hα-helixtrans-62.1-45.5173.1-64.60000111.7Y126 K127 Y132 Q133 E134Y126-C130 VanDerWaalsContact CE1-SG 3.58Å; Y126-C130 VanDerWaalsContact CZ-SG 3.56Å; Y126-C130 PolarHBondContact O-N 3.38Å; Y126-C130 PolarHBondContact O-SG 2.95Å; K127-C130 WeakPolarHBondContact O-CB 3.47Å; K127-C130 PolarHBondContact O-N 3.32Å; C130-Y132 VanDerWaalsContact C-N 3.33Å; C130-Y132 PolarHBondContact O-N 3.33Å; C130-Q133 PolarHBondContact O-N 3.45Å; C130-E134 PolarHBondContact O-N 2.87Å
131D90.4Very high92.3Very high106 Ų106101.5 Ų101.557%0.56749%0.493SS*.Hα-helixtrans-61.8-42178.2-59.8-26.2000110.9K127 E134 Q135K127-D131 PolarHBondContact O-N 3.25Å; D131-E134 PolarHBondContact O-N 2.89Å; D131-Q135 PolarHBondContact O-N 2.9Å
132Y91.6Very high92.6Very high132 Ų132103.6 Ų103.652%0.51850%0.5SS..Hα-helixtrans-65.3-42.2175.4-178.7-105.5000112.5S128 E129 C130 Q135 L136S128-Y132 WeakPolarHBondContact O-CB 3.48Å; S128-Y132 PolarHBondContact O-N 2.93Å; E129-Y132 PolarHBondContact O-N 3.2Å; C130-Y132 VanDerWaalsContact C-N 3.33Å; C130-Y132 PolarHBondContact O-N 3.33Å; Y132-Q135 PolarHBondContact O-N 3.39Å; Y132-L136 WeakPolarHBondContact O-CB 3.46Å; Y132-L136 PolarHBondContact O-N 3.34Å
133Q89.2Confident92.9Very high109 Ų109101.8 Ų101.851%0.50950%0.499SS..Hα-helixtrans-65.5-36.6175.3-73.9177.217.900112.2E129 C130 L136 R137E129-Q133 WeakPolarHBondContact O-CB 3.5Å; E129-Q133 VanDerWaalsContact O-CG 3.26Å; E129-Q133 WeakPolarHBondContact O-CG 3.45Å; E129-Q133 PolarHBondContact O-N 2.88Å; E129-Q133 PolarHBondContact OE1-NE2 2.66Å; C130-Q133 PolarHBondContact O-N 3.45Å; Q133-L136 PolarHBondContact O-N 2.93Å; Q133-R137 WeakPolarHBondContact O-CB 3.45Å; Q133-R137 PolarHBondContact O-N 3.33Å
134E92.9Very high93.2Very high116 Ų116103.4 Ų103.454%0.54251%0.506SS..Hα-helixtrans-66.5-43172.9179151.4-124.100111.6C130 D131 L136 R137 G138C130-E134 PolarHBondContact O-N 2.87Å; D131-E134 PolarHBondContact O-N 2.89Å; E134-L136 PolarHBondContact O-N 3.36Å; E134-R137 PolarHBondContact O-N 3.13Å; E134-R137 IonicContact OE1-NH2 2.66Å; E134-R137 PolarHBondContact OE1-NH2 2.92Å; E134-G138 PolarHBondContact O-N 3.39Å
135Q92.7Very high93.6Very high132 Ų132104.8 Ų104.862%0.61751%0.508SS*.Hα-helixtrans-59-46.2173.7-172.5-178.68.800111.5D131 Y132 G138 T139D131-Q135 PolarHBondContact O-N 2.9Å; Y132-Q135 PolarHBondContact O-N 3.39Å; Q135-G138 PolarHBondContact O-N 3.33Å; Q135-T139 PolarHBondContact O-N 2.96Å; Q135-T139 PolarHBondContact O-OG1 3.2Å
136L90.7Very high93.8Very high92 Ų92104.1 Ų104.148%0.48251%0.507SS..Hα-helixtrans-66.9-36.1178.8-174.861.8000112.5Y132 Q133 E134 G138 T139 L140Y132-L136 WeakPolarHBondContact O-CB 3.46Å; Y132-L136 PolarHBondContact O-N 3.34Å; Q133-L136 PolarHBondContact O-N 2.93Å; E134-L136 PolarHBondContact O-N 3.36Å; L136-G138 VanDerWaalsContact C-N 3.33Å; L136-T139 PolarHBondContact O-OG1 3.5Å; L136-L140 WeakPolarHBondContact O-CB 3.45Å; L136-L140 PolarHBondContact O-N 2.9Å
137R95.3Very high94.2Very high154 Ų15498.6 Ų98.658%0.58150%0.495SS*.Hα-helixtrans-63.9-41.4171.4-169-174.271.3-159.2-8.8110.8Q133 E134 L140 E141Q133-R137 WeakPolarHBondContact O-CB 3.45Å; Q133-R137 PolarHBondContact O-N 3.33Å; E134-R137 PolarHBondContact O-N 3.13Å; E134-R137 IonicContact OE1-NH2 2.66Å; E134-R137 PolarHBondContact OE1-NH2 2.92Å; R137-L140 PolarHBondContact O-N 3.48Å; R137-E141 WeakPolarHBondContact O-CB 3.47Å; R137-E141 PolarHBondContact O-N 3.42Å
138G96.1Very high94.5Very high36 Ų3697 Ų9737%0.37149%0.491SS..Hα-helixtrans-63.9-42.217700000113.3E134 Q135 L136 E141 H142E134-G138 PolarHBondContact O-N 3.39Å; Q135-G138 PolarHBondContact O-N 3.33Å; L136-G138 VanDerWaalsContact C-N 3.33Å; G138-E141 PolarHBondContact O-N 3.31Å; G138-H142 WeakPolarHBondContact O-CB 3.31Å; G138-H142 PolarHBondContact O-N 3.28Å
139T96.5Very high94.9Very high65 Ų6596.1 Ų96.140%0.39949%0.485SS..Hα-helixtrans-68.8-38.9175.756.90000112Q135 L136 H142 L143Q135-T139 PolarHBondContact O-N 2.96Å; Q135-T139 PolarHBondContact O-OG1 3.2Å; L136-T139 PolarHBondContact O-OG1 3.5Å; T139-H142 PolarHBondContact O-N 2.99Å; T139-L143 WeakPolarHBondContact O-CB 3.38Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 2.89Å
140L95.7Very high95.1Very high117 Ų11794.2 Ų94.261%0.61349%0.486SS*.Hα-helixtrans-61.2-47173.2-173158.6000111.4L136 R137 H142 L143 N144L136-L140 WeakPolarHBondContact O-CB 3.45Å; L136-L140 PolarHBondContact O-N 2.9Å; R137-L140 PolarHBondContact O-N 3.48Å; L140-H142 VanDerWaalsContact C-N 3.29Å; L140-H142 PolarHBondContact O-N 3.41Å; L140-L143 PolarHBondContact O-N 3.48Å; L140-N144 WeakPolarHBondContact O-CB 3.44Å; L140-N144 PolarHBondContact O-N 3.26Å
141E98.1Very high95.6Very high97 Ų9797.6 Ų97.645%0.45350%0.5SS..Hα-helixtrans-62.2-37.3177.6-166.8-171.7153.800111.9R137 G138 K145R137-E141 WeakPolarHBondContact O-CB 3.47Å; R137-E141 PolarHBondContact O-N 3.42Å; G138-E141 PolarHBondContact O-N 3.31Å; E141-K145 WeakPolarHBondContact O-CD 3.37Å; E141-K145 WeakPolarHBondContact O-CG 3.4Å; E141-K145 PolarHBondContact O-N 3.42Å; E141-K145 VanDerWaalsContact O-N 3.13Å; E141-K145 WeakPolarHBondContact OE1-CE 3.35Å; E141-K145 IonicContact OE1-NZ 3.73Å; E141-K145 PolarHBondContact OE1-NZ 3.42Å
142H97.3Very high96Very high123 Ų12398.3 Ų98.357%0.56950%0.503SS*.Hα-helixtrans-65.9-49.3174.9-178.254000112.4G138 T139 L140 N144 K145 E146G138-H142 WeakPolarHBondContact O-CB 3.31Å; G138-H142 PolarHBondContact O-N 3.28Å; T139-H142 PolarHBondContact O-N 2.99Å; L140-H142 VanDerWaalsContact C-N 3.29Å; L140-H142 PolarHBondContact O-N 3.41Å; H142-N144 VanDerWaalsContact C-N 3.29Å; H142-N144 PolarHBondContact O-N 2.91Å; H142-K145 WeakPolarHBondContact O-CB 3.42Å; H142-K145 PolarHBondContact O-N 2.88Å; H142-E146 PolarHBondContact O-N 3.2Å
143L96.4Very high96.3Very high106 Ų10697.3 Ų97.356%0.55550%0.502SS*.Hα-helixtrans-61.9-36.3177.4-72.4171.3000112T139 L140 E146 A147T139-L143 WeakPolarHBondContact O-CB 3.38Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 2.89Å; L140-L143 PolarHBondContact O-N 3.48Å; L143-E146 PolarHBondContact O-N 3.45Å; L143-A147 WeakPolarHBondContact O-CB 3.25Å; L143-A147 PolarHBondContact O-N 2.87Å
144N97.9Very high96.8Very high88 Ų8897 Ų9747%0.47150%0.503SS..Hα-helixtrans-64.8-44.9175.2-161.684.9000111.4L140 H142 E146 A147 D148L140-N144 WeakPolarHBondContact O-CB 3.44Å; L140-N144 PolarHBondContact O-N 3.26Å; H142-N144 VanDerWaalsContact C-N 3.29Å; H142-N144 PolarHBondContact O-N 2.91Å; N144-E146 VanDerWaalsContact C-N 3.29Å; N144-E146 PolarHBondContact O-N 3.36Å; N144-A147 PolarHBondContact O-N 3.26Å; N144-D148 PolarHBondContact ND2-OD2 3.37Å; N144-D148 WeakPolarHBondContact O-CB 3.45Å; N144-D148 VanDerWaalsContact O-CG 3.24Å; N144-D148 PolarHBondContact O-N 3.06Å
145K98.6Very high97Very high118 Ų11895.7 Ų95.751%0.51350%0.499SS..Hα-helixtrans-61.5-35.8174.6-72.9164.9-179.2165.70112.6E141 H142 S149E141-K145 WeakPolarHBondContact O-CD 3.37Å; E141-K145 WeakPolarHBondContact O-CG 3.4Å; E141-K145 PolarHBondContact O-N 3.42Å; E141-K145 VanDerWaalsContact O-N 3.13Å; E141-K145 WeakPolarHBondContact OE1-CE 3.35Å; E141-K145 IonicContact OE1-NZ 3.73Å; E141-K145 PolarHBondContact OE1-NZ 3.42Å; H142-K145 WeakPolarHBondContact O-CB 3.42Å; H142-K145 PolarHBondContact O-N 2.88Å; K145-S149 VanDerWaalsContact O-CB 3.26Å; K145-S149 WeakPolarHBondContact O-CB 3.47Å; K145-S149 PolarHBondContact O-N 3.02Å
146E97.9Very high97.3Very high115 Ų11594.4 Ų94.454%0.53749%0.494SS..Hα-helixtrans-69.6-43.1174.8-173.4171.1-159.300111.8H142 L143 N144 S149 A150H142-E146 PolarHBondContact O-N 3.2Å; L143-E146 PolarHBondContact O-N 3.45Å; N144-E146 VanDerWaalsContact C-N 3.29Å; N144-E146 PolarHBondContact O-N 3.36Å; E146-S149 WeakPolarHBondContact O-CB 3.35Å; E146-S149 PolarHBondContact O-N 2.86Å; E146-A150 WeakPolarHBondContact O-CB 3.41Å; E146-A150 PolarHBondContact O-N 3.47Å
147A97.8Very high97.7Very high47 Ų4797.1 Ų97.139%0.38850%0.498SS..Hα-helixtrans-61-46.6174.800000112L143 N144 S149 A150 L151L143-A147 WeakPolarHBondContact O-CB 3.25Å; L143-A147 PolarHBondContact O-N 2.87Å; N144-A147 PolarHBondContact O-N 3.26Å; A147-S149 VanDerWaalsContact C-N 3.32Å; A147-S149 PolarHBondContact O-N 3.43Å; A147-A150 PolarHBondContact O-N 3.35Å; A147-L151 WeakPolarHBondContact O-CB 3.4Å; A147-L151 WeakPolarHBondContact O-CG 3.43Å; A147-L151 PolarHBondContact O-N 3.01Å
148D98.4Very high97.8Very high76 Ų7695.8 Ų95.841%0.40650%0.499SS..Hα-helixtrans-58.8-43.4174.9-68.5-31.2000111.2N144 L151 L152N144-D148 PolarHBondContact ND2-OD2 3.37Å; N144-D148 WeakPolarHBondContact O-CB 3.45Å; N144-D148 VanDerWaalsContact O-CG 3.24Å; N144-D148 PolarHBondContact O-N 3.06Å; D148-L151 PolarHBondContact O-N 3.2Å; D148-L152 WeakPolarHBondContact O-CG 3.29Å; D148-L152 PolarHBondContact O-N 3.24Å
149S98.4Very high98Very high50 Ų5098 Ų9835%0.3550%0.501SS..Hα-helixtrans-63.8-39.7175.9-174.30000112.7K145 E146 A147 K153K145-S149 VanDerWaalsContact O-CB 3.26Å; K145-S149 WeakPolarHBondContact O-CB 3.47Å; K145-S149 PolarHBondContact O-N 3.02Å; E146-S149 WeakPolarHBondContact O-CB 3.35Å; E146-S149 PolarHBondContact O-N 2.86Å; A147-S149 VanDerWaalsContact C-N 3.32Å; A147-S149 PolarHBondContact O-N 3.43Å; S149-K153 WeakPolarHBondContact O-CG 3.29Å; S149-K153 PolarHBondContact O-N 3.48Å; S149-K153 VanDerWaalsContact O-N 3.11Å
150A97.9Very high98.1Very high55 Ų5599 Ų9946%0.45550%0.501SS..Hα-helixtrans-68.2-40.4176.100000112.1E146 A147 K153 N154E146-A150 WeakPolarHBondContact O-CB 3.41Å; E146-A150 PolarHBondContact O-N 3.47Å; A147-A150 PolarHBondContact O-N 3.35Å; A150-K153 PolarHBondContact O-N 2.89Å; A150-N154 WeakPolarHBondContact O-CB 3.4Å; A150-N154 PolarHBondContact O-N 3.43Å
151L98.4Very high98.2Very high116 Ų11697 Ų9761%0.60750%0.498SS*.Hα-helixtrans-63.5-44174.9-73.2170.7000111.8A147 D148 K153 N154 L155A147-L151 WeakPolarHBondContact O-CB 3.4Å; A147-L151 WeakPolarHBondContact O-CG 3.43Å; A147-L151 PolarHBondContact O-N 3.01Å; D148-L151 PolarHBondContact O-N 3.2Å; L151-K153 PolarHBondContact O-N 3.47Å; L151-N154 PolarHBondContact O-N 2.82Å; L151-L155 PolarHBondContact O-N 2.88Å
152L98.6Very high98.2Very high121 Ų12197.4 Ų97.463%0.63450%0.499SS*.Hα-helixtrans-61.2-44.1176-73.6170.4000112.1D148 L155 E156D148-L152 WeakPolarHBondContact O-CG 3.29Å; D148-L152 PolarHBondContact O-N 3.24Å; L152-L155 PolarHBondContact O-N 2.6Å; L152-E156 PolarHBondContact O-N 3.2Å
153K98.4Very high98.3Very high111 Ų11198.2 Ų98.248%0.48350%0.501SS..Hα-helixtrans-64.6-38.3174.4-71.8169.7-175.9168.10112.6S149 A150 L151 E156 Y157S149-K153 WeakPolarHBondContact O-CG 3.29Å; S149-K153 PolarHBondContact O-N 3.48Å; S149-K153 VanDerWaalsContact O-N 3.11Å; A150-K153 PolarHBondContact O-N 2.89Å; L151-K153 PolarHBondContact O-N 3.47Å; K153-E156 PolarHBondContact O-N 3.44Å; K153-Y157 HydrophobicContact CB-CE2 4.39Å; K153-Y157 WeakPolarHBondContact O-CD2 3.41Å; K153-Y157 PolarHBondContact O-N 2.99Å
154N98.4Very high98.3Very high101 Ų10198.4 Ų98.454%0.5450%0.502SS..Hα-helixtrans-62.5-44.8176.5-173.8-94.6000111.3A150 L151 Y157 Q158A150-N154 WeakPolarHBondContact O-CB 3.4Å; A150-N154 PolarHBondContact O-N 3.43Å; L151-N154 PolarHBondContact O-N 2.82Å; N154-Y157 PolarHBondContact O-N 3.32Å; N154-Q158 WeakPolarHBondContact O-CB 3.26Å; N154-Q158 PolarHBondContact O-N 2.93Å
155L98.6Very high98.4Very high89 Ų8998.7 Ų98.747%0.46650%0.501SS..Hα-helixtrans-62-42.3174.3-17864.1000111.8L151 L152 Q158 I159L151-L155 PolarHBondContact O-N 2.88Å; L152-L155 PolarHBondContact O-N 2.6Å; L155-Q158 PolarHBondContact O-N 2.89Å; L155-I159 HydrophobicContact CD1-CD1 4.3Å; L155-I159 HydrophobicContact CG-CD1 4.03Å; L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.41Å; L155-I159 PolarHBondContact O-N 3.19Å
156E98.5Very high98.4Very high106 Ų10696.5 Ų96.550%0.49550%0.495SS..Hα-helixtrans-58.9-48.6175-171.3-175.8173.600111.5L152 K153 Q158 I159 Q160L152-E156 PolarHBondContact O-N 3.2Å; K153-E156 PolarHBondContact O-N 3.44Å; E156-Q158 VanDerWaalsContact C-N 3.33Å; E156-Q158 PolarHBondContact O-N 3.32Å; E156-I159 PolarHBondContact O-N 2.81Å; E156-Q160 WeakPolarHBondContact O-CG 3.32Å; E156-Q160 PolarHBondContact O-N 3.02Å; E156-Q160 PolarHBondContact OE1-NE2 2.85Å; E156-Q160 VanDerWaalsContact OE1-NE2 3.11Å
157Y98.4Very high98.4Very high148 Ų14896 Ų9658%0.5850%0.496SS*.Hα-helixtrans-64.1-35.1176-66.5-43.8000112.9K153 N154 Q160 S161K153-Y157 HydrophobicContact CB-CE2 4.39Å; K153-Y157 WeakPolarHBondContact O-CD2 3.41Å; K153-Y157 PolarHBondContact O-N 2.99Å; N154-Y157 PolarHBondContact O-N 3.32Å; Y157-Q160 PolarHBondContact O-N 2.88Å; Y157-S161 WeakPolarHBondContact O-CB 3.48Å; Y157-S161 PolarHBondContact O-N 3.46Å
158Q98.4Very high98.4Very high126 Ų12698.3 Ų98.359%0.58950%0.501SS*.Hα-helixtrans-64.8-42.8175.1-171.4178.76.500111.3N154 L155 E156 S161 Q162N154-Q158 WeakPolarHBondContact O-CB 3.26Å; N154-Q158 PolarHBondContact O-N 2.93Å; L155-Q158 PolarHBondContact O-N 2.89Å; E156-Q158 VanDerWaalsContact C-N 3.33Å; E156-Q158 PolarHBondContact O-N 3.32Å; Q158-S161 PolarHBondContact O-N 2.97Å; Q158-Q162 WeakPolarHBondContact O-CB 3.38Å; Q158-Q162 PolarHBondContact O-N 3.29Å
159I98.6Very high98.4Very high82 Ų8297 Ų9742%0.42149%0.494SS..Hα-helixtrans-63.8-47.2175.6-69.1165.4000110.7L155 E156 S161 Q162 F163L155-I159 HydrophobicContact CD1-CD1 4.3Å; L155-I159 HydrophobicContact CG-CD1 4.03Å; L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.41Å; L155-I159 PolarHBondContact O-N 3.19Å; E156-I159 PolarHBondContact O-N 2.81Å; I159-S161 VanDerWaalsContact C-N 3.34Å; I159-S161 PolarHBondContact O-N 3.04Å; I159-Q162 PolarHBondContact O-N 3.49Å; I159-F163 HydrophobicContact CG2-CD2 3.8Å; I159-F163 HydrophobicContact CG2-CE2 3.51Å; I159-F163 VanDerWaalsContact O-CD2 3.24Å; I159-F163 WeakPolarHBondContact O-CD2 3.49Å; I159-F163 PolarHBondContact O-N 3.08Å
160Q98.6Very high98.4Very high87 Ų8797.5 Ų97.541%0.40750%0.497SS..Hα-helixtrans-60.6-42.3176.5-70.2176.11200112E156 Y157 F163 L164E156-Q160 WeakPolarHBondContact O-CG 3.32Å; E156-Q160 PolarHBondContact O-N 3.02Å; E156-Q160 PolarHBondContact OE1-NE2 2.85Å; E156-Q160 VanDerWaalsContact OE1-NE2 3.11Å; Y157-Q160 PolarHBondContact O-N 2.88Å; Q160-F163 PolarHBondContact O-N 3.36Å; Q160-L164 WeakPolarHBondContact O-CG 3.49Å; Q160-L164 PolarHBondContact O-N 3.43Å
161S98.3Very high98.4Very high76 Ų7697.6 Ų97.653%0.53149%0.492SS..Hα-helixtrans-62.4-40.7175.9-173.70000112Y157 Q158 I159 L164 Q165Y157-S161 WeakPolarHBondContact O-CB 3.48Å; Y157-S161 PolarHBondContact O-N 3.46Å; Q158-S161 PolarHBondContact O-N 2.97Å; I159-S161 VanDerWaalsContact C-N 3.34Å; I159-S161 PolarHBondContact O-N 3.04Å; S161-L164 PolarHBondContact O-N 2.83Å; S161-Q165 VanDerWaalsContact O-CB 3.32Å; S161-Q165 WeakPolarHBondContact O-CB 3.33Å; S161-Q165 PolarHBondContact O-N 3.23Å
162Q98.5Very high98.4Very high104 Ų10498.4 Ų98.449%0.48649%0.487SS..Hα-helixtrans-63.6-46176.1-176.558.346.200111.8Q158 I159 L164 Q165 D166Q158-Q162 WeakPolarHBondContact O-CB 3.38Å; Q158-Q162 PolarHBondContact O-N 3.29Å; I159-Q162 PolarHBondContact O-N 3.49Å; Q162-L164 PolarHBondContact O-N 3.22Å; Q162-Q165 WeakPolarHBondContact O-CB 3.2Å; Q162-Q165 PolarHBondContact O-N 2.94Å; Q162-D166 VanDerWaalsContact NE2-CG 3.29Å; Q162-D166 PolarHBondContact NE2-OD1 3.43Å; Q162-D166 PolarHBondContact NE2-OD2 3.5Å; Q162-D166 PolarHBondContact O-N 2.68Å
163F98.5Very high98.4Very high140 Ų14097.4 Ų97.461%0.61449%0.486SS*.Hα-helixtrans-59-46.6175.4-79.1-62.1000112.4I159 Q160 Q165 D166 D167I159-F163 HydrophobicContact CG2-CD2 3.8Å; I159-F163 HydrophobicContact CG2-CE2 3.51Å; I159-F163 VanDerWaalsContact O-CD2 3.24Å; I159-F163 WeakPolarHBondContact O-CD2 3.49Å; I159-F163 PolarHBondContact O-N 3.08Å; Q160-F163 PolarHBondContact O-N 3.36Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 3.49Å; F163-D166 PolarHBondContact O-N 2.83Å; F163-D167 PolarHBondContact O-N 3.14Å
164L98.3Very high98.4Very high110 Ų11097.5 Ų97.558%0.57648%0.483SS*.Hα-helixtrans-62.2-38.8176.9-71.5170.4000112.1Q160 S161 Q162 D166 D167 I168Q160-L164 WeakPolarHBondContact O-CG 3.49Å; Q160-L164 PolarHBondContact O-N 3.43Å; S161-L164 PolarHBondContact O-N 2.83Å; Q162-L164 PolarHBondContact O-N 3.22Å; L164-D166 VanDerWaalsContact C-N 3.33Å; L164-D167 PolarHBondContact O-N 3.02Å; L164-I168 WeakPolarHBondContact O-CB 3.23Å; L164-I168 WeakPolarHBondContact O-CD1 3.05Å; L164-I168 VanDerWaalsContact O-CG1 3.25Å; L164-I168 WeakPolarHBondContact O-CG1 3.39Å; L164-I168 PolarHBondContact O-N 2.91Å
165Q98.5Very high98.3Very high94 Ų9496.7 Ų96.744%0.43948%0.479SS..Hα-helixtrans-64-39.8175.6-172.367.8-1.400111.4S161 Q162 F163 I168 N169S161-Q165 VanDerWaalsContact O-CB 3.32Å; S161-Q165 WeakPolarHBondContact O-CB 3.33Å; S161-Q165 PolarHBondContact O-N 3.23Å; Q162-Q165 WeakPolarHBondContact O-CB 3.2Å; Q162-Q165 PolarHBondContact O-N 2.94Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 3.49Å; Q165-I168 PolarHBondContact O-N 3.48Å; Q165-N169 WeakPolarHBondContact O-CB 3.47Å; Q165-N169 PolarHBondContact O-N 3.48Å; Q165-N169 PolarHBondContact O-ND2 3.41Å; Q165-N169 VanDerWaalsContact O-ND2 3.09Å; Q165-N169 PolarHBondContact O-OD1 3.37Å
166D98.4Very high98.3Very high72 Ų7299 Ų9939%0.38549%0.485SS..Hα-helixtrans-71.4-34.1177.5-70.4-31000113Q162 F163 L164 N169 S170Q162-D166 VanDerWaalsContact NE2-CG 3.29Å; Q162-D166 PolarHBondContact NE2-OD1 3.43Å; Q162-D166 PolarHBondContact NE2-OD2 3.5Å; Q162-D166 PolarHBondContact O-N 2.68Å; F163-D166 PolarHBondContact O-N 2.83Å; L164-D166 VanDerWaalsContact C-N 3.33Å; D166-N169 WeakPolarHBondContact O-CB 3.28Å; D166-N169 PolarHBondContact O-N 3.23Å; D166-N169 PolarHBondContact OD1-ND2 3.05Å; D166-S170 VanDerWaalsContact O-CB 3.29Å; D166-S170 WeakPolarHBondContact O-CB 3.4Å; D166-S170 PolarHBondContact O-N 3.21Å
167D98.4Very high98.2Very high105 Ų105100.7 Ų100.756%0.56149%0.491SS*.Hα-helixtrans-65.7-41.2170.6-80.3-22.1000112.4F163 L164 S170 T171F163-D167 PolarHBondContact O-N 3.14Å; L164-D167 PolarHBondContact O-N 3.02Å; D167-S170 PolarHBondContact O-N 3.01Å; D167-T171 WeakPolarHBondContact O-CB 3.39Å; D167-T171 PolarHBondContact O-N 3.31Å; D167-T171 PolarHBondContact O-OG1 3.2Å; D167-T171 VanDerWaalsContact O-OG1 3.1Å
168I98.1Very high98.1Very high95 Ų9596.7 Ų96.749%0.48748%0.48SS..Hα-helixtrans-63.1-42.9172.2-70.4165.2000110.2L164 Q165 T171 R172L164-I168 WeakPolarHBondContact O-CB 3.23Å; L164-I168 WeakPolarHBondContact O-CD1 3.05Å; L164-I168 VanDerWaalsContact O-CG1 3.25Å; L164-I168 WeakPolarHBondContact O-CG1 3.39Å; L164-I168 PolarHBondContact O-N 2.91Å; Q165-I168 PolarHBondContact O-N 3.48Å; I168-T171 PolarHBondContact O-N 3.17Å; I168-R172 WeakPolarHBondContact O-CB 3.39Å; I168-R172 PolarHBondContact O-N 2.83Å
169N98.3Very high98.1Very high50 Ų5095.7 Ų95.727%0.26748%0.478SS..Hα-helixtrans-60.8-51.2176.1-69.7-28.4000111.3Q165 D166 T171 R172 V173Q165-N169 WeakPolarHBondContact O-CB 3.47Å; Q165-N169 PolarHBondContact O-N 3.48Å; Q165-N169 PolarHBondContact O-ND2 3.41Å; Q165-N169 VanDerWaalsContact O-ND2 3.09Å; Q165-N169 PolarHBondContact O-OD1 3.37Å; D166-N169 WeakPolarHBondContact O-CB 3.28Å; D166-N169 PolarHBondContact O-N 3.23Å; D166-N169 PolarHBondContact OD1-ND2 3.05Å; N169-T171 VanDerWaalsContact C-N 3.33Å; N169-T171 PolarHBondContact O-N 3.47Å; N169-R172 PolarHBondContact O-N 3.11Å; N169-R172 PolarHBondContact OD1-NH2 3.13Å; N169-V173 WeakPolarHBondContact O-CG2 3.43Å; N169-V173 PolarHBondContact O-N 3Å
170S98.3Very high98Very high59 Ų5995.9 Ų95.941%0.41348%0.482SS..Hα-helixtrans-54.7-47.2177.1176.90000111.8D166 D167 V173 R174D166-S170 VanDerWaalsContact O-CB 3.29Å; D166-S170 WeakPolarHBondContact O-CB 3.4Å; D166-S170 PolarHBondContact O-N 3.21Å; D167-S170 PolarHBondContact O-N 3.01Å; S170-V173 PolarHBondContact O-N 3.39Å; S170-R174 PolarHBondContact O-N 2.89Å; S170-R174 PolarHBondContact OG-NH2 3.5Å; S170-R174 VanDerWaalsContact OG-NH2 3.16Å
171T97.8Very high97.9Very high58 Ų5895.4 Ų95.436%0.35648%0.48SS..Hα-helixtrans-69.8-38.8179.4-62.40000112.7D167 I168 N169 V173 R174 N175D167-T171 WeakPolarHBondContact O-CB 3.39Å; D167-T171 PolarHBondContact O-N 3.31Å; D167-T171 PolarHBondContact O-OG1 3.2Å; D167-T171 VanDerWaalsContact O-OG1 3.1Å; I168-T171 PolarHBondContact O-N 3.17Å; N169-T171 VanDerWaalsContact C-N 3.33Å; N169-T171 PolarHBondContact O-N 3.47Å; T171-V173 PolarHBondContact O-N 2.98Å; T171-R174 PolarHBondContact O-N 3.39Å; T171-R174 PolarHBondContact OG1-NH1 2.95Å; T171-R174 VanDerWaalsContact OG1-NH1 3.1Å; T171-N175 WeakPolarHBondContact O-CB 3.38Å; T171-N175 PolarHBondContact O-N 3.47Å; T171-N175 PolarHBondContact O-OD1 2.99Å; T171-N175 VanDerWaalsContact O-OD1 3.14Å
172R98.1Very high97.8Very high132 Ų13296.4 Ų96.450%0.49848%0.479SS..Hα-helixtrans-65.6-35.2174.1178.7166.152.9154.6-4.1112.8I168 N169 K176I168-R172 WeakPolarHBondContact O-CB 3.39Å; I168-R172 PolarHBondContact O-N 2.83Å; N169-R172 PolarHBondContact O-N 3.11Å; N169-R172 PolarHBondContact OD1-NH2 3.13Å; R172-K176 WeakPolarHBondContact O-CB 3.25Å; R172-K176 WeakPolarHBondContact O-CG 3.43Å; R172-K176 PolarHBondContact O-N 3.07Å; R172-K176 VanDerWaalsContact O-N 3.16Å
173V98.4Very high97.7Very high101 Ų10197.8 Ų97.861%0.61249%0.485SS*.Hα-helixtrans-68.4-43.5173.7168.10000110.9N169 S170 T171 K176 K177N169-V173 WeakPolarHBondContact O-CG2 3.43Å; N169-V173 PolarHBondContact O-N 3Å; S170-V173 PolarHBondContact O-N 3.39Å; T171-V173 PolarHBondContact O-N 2.98Å; V173-K176 PolarHBondContact O-N 2.98Å; V173-K177 PolarHBondContact O-N 3.34Å; V173-K177 VanDerWaalsContact O-N 3.11Å
174R98Very high97.5Very high112 Ų11294.4 Ų94.442%0.42348%0.476SS..Hα-helixtrans-58.8-55.2175.3-165.1-174.9-48.6104.913.1111.4S170 T171 K176 K177 D178S170-R174 PolarHBondContact O-N 2.89Å; S170-R174 PolarHBondContact OG-NH2 3.5Å; S170-R174 VanDerWaalsContact OG-NH2 3.16Å; T171-R174 PolarHBondContact O-N 3.39Å; T171-R174 PolarHBondContact OG1-NH1 2.95Å; T171-R174 VanDerWaalsContact OG1-NH1 3.1Å; R174-K176 PolarHBondContact O-N 3.29Å; R174-K176 VanDerWaalsContact O-N 3.17Å; R174-K177 WeakPolarHBondContact O-CA 3.28Å; R174-K177 WeakPolarHBondContact O-CB 3.49Å; R174-K177 PolarHBondContact O-N 3.47Å; R174-D178 PolarHBondContact O-N 3.32Å
175N97.3Very high97.3Very high85 Ų8595.1 Ų95.146%0.45547%0.472SS..Hα-helixtrans-59.4-33.2-179.9-64.16.7000112.6T171 D178 L179T171-N175 WeakPolarHBondContact O-CB 3.38Å; T171-N175 PolarHBondContact O-N 3.47Å; T171-N175 PolarHBondContact O-OD1 2.99Å; T171-N175 VanDerWaalsContact O-OD1 3.14Å; N175-D178 PolarHBondContact O-N 2.84Å; N175-L179 WeakPolarHBondContact O-CB 3.42Å; N175-L179 VanDerWaalsContact O-CG 3.26Å; N175-L179 WeakPolarHBondContact O-CG 3.37Å; N175-L179 PolarHBondContact O-N 3.05Å
176K97.9Very high97.1Very high136 Ų13694.5 Ų94.559%0.59148%0.475SS*.Hα-helixtrans-65.3-41.5172.5-82.2-179.7175-170.30112.6R172 V173 R174 V180R172-K176 WeakPolarHBondContact O-CB 3.25Å; R172-K176 WeakPolarHBondContact O-CG 3.43Å; R172-K176 PolarHBondContact O-N 3.07Å; R172-K176 VanDerWaalsContact O-N 3.16Å; V173-K176 PolarHBondContact O-N 2.98Å; R174-K176 PolarHBondContact O-N 3.29Å; R174-K176 VanDerWaalsContact O-N 3.17Å; K176-V180 WeakPolarHBondContact O-CG2 3.27Å; K176-V180 PolarHBondContact O-N 2.9Å
177K97.4Very high96.9Very high142 Ų14295.2 Ų95.262%0.61748%0.478SS*.Hα-helixtrans-62.7-47.7174.4-174.2-164.7170.1-161.60110.3V173 R174 L179 V180 E181V173-K177 PolarHBondContact O-N 3.34Å; V173-K177 VanDerWaalsContact O-N 3.11Å; R174-K177 WeakPolarHBondContact O-CA 3.28Å; R174-K177 WeakPolarHBondContact O-CB 3.49Å; R174-K177 PolarHBondContact O-N 3.47Å; K177-L179 VanDerWaalsContact C-N 3.33Å; K177-L179 PolarHBondContact O-N 3.42Å; K177-V180 PolarHBondContact O-N 2.98Å; K177-E181 PolarHBondContact O-N 3.01Å
178D96.8Very high96.6Very high64 Ų6494.5 Ų94.534%0.34247%0.474SS..Hα-helixtrans-63.5-38.3-177.9-53.6-19.6000111.4R174 N175 E181 I182R174-D178 PolarHBondContact O-N 3.32Å; N175-D178 PolarHBondContact O-N 2.84Å; D178-E181 PolarHBondContact O-N 3.05Å; D178-I182 VanDerWaalsContact O-CG1 3.28Å; D178-I182 WeakPolarHBondContact O-CG1 3.44Å; D178-I182 PolarHBondContact O-N 3.49Å
179L97.1Very high96.1Very high105 Ų10594.9 Ų94.955%0.5548%0.476SS..Hα-helixtrans-61.7-46.8172.8-80.1168.6000112.5N175 K177 E181 I182 E183N175-L179 WeakPolarHBondContact O-CB 3.42Å; N175-L179 VanDerWaalsContact O-CG 3.26Å; N175-L179 WeakPolarHBondContact O-CG 3.37Å; N175-L179 PolarHBondContact O-N 3.05Å; K177-L179 VanDerWaalsContact C-N 3.33Å; K177-L179 PolarHBondContact O-N 3.42Å; L179-E181 VanDerWaalsContact C-N 3.28Å; L179-E181 PolarHBondContact O-N 3.28Å; L179-I182 PolarHBondContact O-N 3.21Å; L179-E183 WeakPolarHBondContact O-CG 3.48Å; L179-E183 PolarHBondContact O-N 3.46Å
180V96.9Very high95.6Very high86 Ų8697.8 Ų97.852%0.52149%0.488SS..Hα-helixtrans-62.4-38.7176.4171.60000110.7K176 K177 E183 T184K176-V180 WeakPolarHBondContact O-CG2 3.27Å; K176-V180 PolarHBondContact O-N 2.9Å; K177-V180 PolarHBondContact O-N 2.98Å; V180-E183 PolarHBondContact O-N 2.84Å; V180-T184 WeakPolarHBondContact O-CG2 3.44Å; V180-T184 PolarHBondContact O-N 3.11Å
181E96.1Very high94.9Very high77 Ų77100.5 Ų100.536%0.3649%0.494SS..Hα-helixtrans-62.3-46.5175.2-149.6-175.8129.400111.1K177 D178 L179 E183 T184 Y185K177-E181 PolarHBondContact O-N 3.01Å; D178-E181 PolarHBondContact O-N 3.05Å; L179-E181 VanDerWaalsContact C-N 3.28Å; L179-E181 PolarHBondContact O-N 3.28Å; E181-E183 PolarHBondContact O-N 3.35Å; E181-T184 PolarHBondContact O-N 2.86Å; E181-T184 VanDerWaalsContact O-N 3.16Å; E181-T184 PolarHBondContact O-OG1 2.75Å; E181-Y185 HydrophobicContact CB-CE2 4.36Å; E181-Y185 HydrophobicContact CG-CD2 4.38Å; E181-Y185 HydrophobicContact CG-CE2 3.61Å; E181-Y185 WeakPolarHBondContact O-CD2 3.48Å; E181-Y185 PolarHBondContact O-N 3.32Å; E181-Y185 VanDerWaalsContact OE1-CE2 3.29Å; E181-Y185 WeakPolarHBondContact OE1-CE2 3.48Å; E181-Y185 PolarHBondContact OE1-OH 3.47Å
182I96.1Very high94.2Very high98 Ų98102.2 Ų102.250%0.50350%0.5SS..Hα-helixtrans-60.4-43.8175-68.4164.5000111.8D178 L179 T184 Y185 V186D178-I182 VanDerWaalsContact O-CG1 3.28Å; D178-I182 WeakPolarHBondContact O-CG1 3.44Å; D178-I182 PolarHBondContact O-N 3.49Å; L179-I182 PolarHBondContact O-N 3.21Å; I182-T184 VanDerWaalsContact C-N 3.29Å; I182-T184 PolarHBondContact O-N 3.29Å; I182-Y185 PolarHBondContact O-N 3.15Å; I182-V186 HydrophobicContact CG2-CG2 4.25Å; I182-V186 WeakPolarHBondContact O-CG2 3.35Å; I182-V186 PolarHBondContact O-N 2.9Å
183E96Very high93Very high133 Ų133101.3 Ų101.362%0.62151%0.505SS*.Hα-helixtrans-58.6-40175.1-75.8-179.3163.600111.7L179 V180 E181 V186 N187L179-E183 WeakPolarHBondContact O-CG 3.48Å; L179-E183 PolarHBondContact O-N 3.46Å; V180-E183 PolarHBondContact O-N 2.84Å; E181-E183 PolarHBondContact O-N 3.35Å; E183-V186 PolarHBondContact O-N 3.32Å; E183-N187 WeakPolarHBondContact O-CB 3.3Å; E183-N187 PolarHBondContact O-N 3.42Å
184T94.9Very high91.6Very high68 Ų68103.5 Ų103.542%0.41751%0.509SS..Hα-helixtrans-65.9-43174.763.60000112.6V180 E181 I182 V186 N187 I188V180-T184 WeakPolarHBondContact O-CG2 3.44Å; V180-T184 PolarHBondContact O-N 3.11Å; E181-T184 PolarHBondContact O-N 2.86Å; E181-T184 VanDerWaalsContact O-N 3.16Å; E181-T184 PolarHBondContact O-OG1 2.75Å; I182-T184 VanDerWaalsContact C-N 3.29Å; I182-T184 PolarHBondContact O-N 3.29Å; T184-V186 PolarHBondContact O-N 3.09Å; T184-N187 PolarHBondContact O-N 3.22Å; T184-I188 WeakPolarHBondContact O-CD1 3.16Å; T184-I188 VanDerWaalsContact O-CG1 3.28Å; T184-I188 WeakPolarHBondContact O-CG1 3.16Å; T184-I188 PolarHBondContact O-N 2.91Å
185Y94.6Very high89.9Confident125 Ų125103.8 Ų103.849%0.4952%0.523SS..Hα-helixtrans-62.3-42.7175.6-66.9-54000112.2E181 I182 I188 L189E181-Y185 HydrophobicContact CB-CE2 4.36Å; E181-Y185 HydrophobicContact CG-CD2 4.38Å; E181-Y185 HydrophobicContact CG-CE2 3.61Å; E181-Y185 WeakPolarHBondContact O-CD2 3.48Å; E181-Y185 PolarHBondContact O-N 3.32Å; E181-Y185 VanDerWaalsContact OE1-CE2 3.29Å; E181-Y185 WeakPolarHBondContact OE1-CE2 3.48Å; E181-Y185 PolarHBondContact OE1-OH 3.47Å; I182-Y185 PolarHBondContact O-N 3.15Å; Y185-I188 PolarHBondContact O-N 3.34Å; Y185-L189 WeakPolarHBondContact O-CB 3.33Å; Y185-L189 WeakPolarHBondContact O-CG 3.28Å; Y185-L189 PolarHBondContact O-N 2.97Å
186V94.8Very high87.7Confident82 Ų82105.9 Ų105.950%0.49753%0.533SS..Hα-helixtrans-63.6-43.3177.7170.90000111.2I182 E183 T184 L189 Q190I182-V186 HydrophobicContact CG2-CG2 4.25Å; I182-V186 WeakPolarHBondContact O-CG2 3.35Å; I182-V186 PolarHBondContact O-N 2.9Å; E183-V186 PolarHBondContact O-N 3.32Å; T184-V186 PolarHBondContact O-N 3.09Å; V186-L189 PolarHBondContact O-N 2.88Å; V186-Q190 WeakPolarHBondContact O-CB 3.4Å; V186-Q190 PolarHBondContact O-N 2.91Å
187N93.1Very high85.1Confident86 Ų86104.9 Ų104.946%0.4654%0.541SS..Hα-helixtrans-62.5-44.6177.4-170.6-8.3000111.6E183 T184 L189 Q190 Q191E183-N187 WeakPolarHBondContact O-CB 3.3Å; E183-N187 PolarHBondContact O-N 3.42Å; T184-N187 PolarHBondContact O-N 3.22Å; N187-L189 PolarHBondContact O-N 2.99Å; N187-Q190 PolarHBondContact O-N 3.42Å; N187-Q191 WeakPolarHBondContact O-CG 3.4Å; N187-Q191 PolarHBondContact O-N 2.85Å; N187-Q191 PolarHBondContact OD1-NE2 3.19Å
188I91.8Very high82.9Confident91 Ų91107.7 Ų107.747%0.46755%0.554SS.*Hα-helixtrans-59.7-47174.5-67.1163.3000110.9T184 Y185 Q190 Q191 I192T184-I188 WeakPolarHBondContact O-CD1 3.16Å; T184-I188 VanDerWaalsContact O-CG1 3.28Å; T184-I188 WeakPolarHBondContact O-CG1 3.16Å; T184-I188 PolarHBondContact O-N 2.91Å; Y185-I188 PolarHBondContact O-N 3.34Å; I188-Q190 VanDerWaalsContact C-N 3.31Å; I188-Q190 PolarHBondContact O-N 3.01Å; I188-Q191 PolarHBondContact O-N 3.27Å; I188-I192 HydrophobicContact CG2-CD1 3.93Å; I188-I192 WeakPolarHBondContact O-CG1 3.4Å; I188-I192 PolarHBondContact O-N 2.83Å
189L89Confident80Confident102 Ų102108.9 Ų108.953%0.53457%0.573SS.*Hα-helixtrans-62.3-37.1176.8-73.9170.3000112.3Y185 V186 N187 I192 N193Y185-L189 WeakPolarHBondContact O-CB 3.33Å; Y185-L189 WeakPolarHBondContact O-CG 3.28Å; Y185-L189 PolarHBondContact O-N 2.97Å; V186-L189 PolarHBondContact O-N 2.88Å; N187-L189 PolarHBondContact O-N 2.99Å; L189-I192 PolarHBondContact O-N 3.39Å; L189-N193 PolarHBondContact O-N 3.22Å; L189-N193 PolarHBondContact O-ND2 2.65Å
190Q87.2Confident77.9Confident112 Ų112108.1 Ų108.152%0.52357%0.574SS.*Hα-helixtrans-69-38.7178-168.5168.813.900111.8V186 N187 I188 N193 Q194V186-Q190 WeakPolarHBondContact O-CB 3.4Å; V186-Q190 PolarHBondContact O-N 2.91Å; N187-Q190 PolarHBondContact O-N 3.42Å; I188-Q190 VanDerWaalsContact C-N 3.31Å; I188-Q190 PolarHBondContact O-N 3.01Å; Q190-N193 PolarHBondContact O-N 2.97Å; Q190-Q194 WeakPolarHBondContact O-CG 3.06Å; Q190-Q194 PolarHBondContact O-N 3.16Å
191Q83.7Confident75.1Confident116 Ų116111 Ų11154%0.54259%0.586SS.*Hα-helixtrans-62-44.6171.6-70.9178.218.400112N187 I188 N193 Q194 T195N187-Q191 WeakPolarHBondContact O-CG 3.4Å; N187-Q191 PolarHBondContact O-N 2.85Å; N187-Q191 PolarHBondContact OD1-NE2 3.19Å; I188-Q191 PolarHBondContact O-N 3.27Å; Q191-N193 PolarHBondContact O-N 3.38Å; Q191-Q194 PolarHBondContact O-N 3.16Å; Q191-T195 PolarHBondContact O-N 3.21Å; Q191-T195 VanDerWaalsContact O-N 3.11Å; Q191-T195 PolarHBondContact O-OG1 2.9Å
192I82.3Confident72.3Confident94 Ų94113.8 Ų113.848%0.48261%0.608SS.*Hα-helixtrans-60.5-45.5177-67.9165.5000110.9I188 L189 Q194 T195 L196I188-I192 HydrophobicContact CG2-CD1 3.93Å; I188-I192 WeakPolarHBondContact O-CG1 3.4Å; I188-I192 PolarHBondContact O-N 2.83Å; L189-I192 PolarHBondContact O-N 3.39Å; I192-Q194 VanDerWaalsContact C-N 3.34Å; I192-Q194 PolarHBondContact O-N 3.41Å; I192-T195 WeakPolarHBondContact CA-OG1 3.5Å; I192-T195 PolarHBondContact O-N 3.09Å; I192-T195 PolarHBondContact O-OG1 2.9Å; I192-T195 VanDerWaalsContact O-OG1 3.08Å; I192-L196 PolarHBondContact O-N 3.46Å
193N74.5Confident69.6Low112 Ų112113.7 Ų113.760%0.59962%0.616SS**Hα-helixtrans-66.7-32.8178.6-80.9-84.4000112.9L189 Q190 Q191 T195L189-N193 PolarHBondContact O-N 3.22Å; L189-N193 PolarHBondContact O-ND2 2.65Å; Q190-N193 PolarHBondContact O-N 2.97Å; Q191-N193 PolarHBondContact O-N 3.38Å; N193-T195 VanDerWaalsContact C-N 3.32Å
194Q67.5Low67.2Low148 Ų148113.1 Ų113.169%0.69263%0.634SS**Hα-helixtrans-73.9-20.8175.5-73.5177.715.300113.7Q190 Q191 I192Q190-Q194 WeakPolarHBondContact O-CG 3.06Å; Q190-Q194 PolarHBondContact O-N 3.16Å; Q191-Q194 PolarHBondContact O-N 3.16Å; I192-Q194 VanDerWaalsContact C-N 3.34Å; I192-Q194 PolarHBondContact O-N 3.41Å
195T63.6Low64.8Low117 Ų117113.1 Ų113.172%0.71865%0.648SS**THydrogen-bonded Turntrans-92.3-1177.538.10000114Q191 I192 N193Q191-T195 PolarHBondContact O-N 3.21Å; Q191-T195 VanDerWaalsContact O-N 3.11Å; Q191-T195 PolarHBondContact O-OG1 2.9Å; I192-T195 WeakPolarHBondContact CA-OG1 3.5Å; I192-T195 PolarHBondContact O-N 3.09Å; I192-T195 PolarHBondContact O-OG1 2.9Å; I192-T195 VanDerWaalsContact O-OG1 3.08Å; N193-T195 VanDerWaalsContact C-N 3.32Å
196L50.7Low62.6Low129 Ų129113.6 Ų113.668%0.67566%0.658SS**SBendtrans-95.8129-179.6-159.669.7000111.6I192I192-L196 PolarHBondContact O-N 3.46Å
197P43.5Very low60.8Low116 Ų116112.4 Ų112.475%0.75365%0.653SS**PPolyproline II helixtrans-65.1143.8-177.7-22.533.7000114
198F51.2Low59Low200 Ų200116.1 Ų116.188%0.87767%0.667SS**PPolyproline II helixtrans-61.2130-175.2-154.6-91.5000113.3
199A34.8Very low57.3Low90 Ų90118.7 Ų118.774%0.74468%0.677SS**  trans-133.8129165.400000109.6
200P53Low55.8Low88 Ų88120 Ų12057%0.57168%0.681SS**  trans-91.2158.8-178.536-35000113.2
201N37.8Very low54.4Low147 Ų147121.5 Ų121.579%0.78669%0.688SS**  trans90.8158.1158.8-49.6-37.2000119.6
202V38.7Very low53.4Low136 Ų136123.5 Ų123.582%0.82470%0.695SS**  trans7699.4167.5-162.50000114.5
203S39.7Very low52.5Low96 Ų96123.7 Ų123.767%0.67170%0.696SS**  -162.781.970.947.50000114.3G205S203-G205 VanDerWaalsContact C-N 3.27Å; S203-G205 PolarHBondContact O-N 3.39Å
204A44.4Very low52.1Low120 Ų120122.9 Ų122.999%0.99269%0.692SS**  trans-72.886.7156.400000108.5
205G44.7Very low52Low69 Ų69118 Ų11871%0.71168%0.676SS**  trans171.544.3-171.300000114.5S203S203-G205 VanDerWaalsContact C-N 3.27Å; S203-G205 PolarHBondContact O-N 3.39Å
206I49.6Very low52.3Low135 Ų135118.8 Ų118.869%0.69267%0.672SS**  trans-80.4118.8166-53.2178000106.9Q210I206-Q210 HydrophobicContact CG2-CB 4.39Å
207S55.6Low53.2Low56 Ų56121 Ų12139%0.39268%0.676SS.*  trans-60.9139.3-172.6179.10000112.7E209 Q210 E211S207-E209 PolarHBondContact O-N 3.49Å; S207-E209 VanDerWaalsContact O-N 3.11Å; S207-E209 PolarHBondContact OG-N 3Å; S207-Q210 WeakPolarHBondContact O-CB 3.4Å; S207-Q210 PolarHBondContact O-N 3.27Å; S207-E211 PolarHBondContact O-N 3.37Å
208E55.8Low54.8Low165 Ų165121.5 Ų121.577%0.77167%0.666SS**Hα-helixtrans-51.8-28.6170.2-163.4176.5-172.900112.1K212E208-K212 VanDerWaalsContact O-CB 3.32Å; E208-K212 WeakPolarHBondContact O-CB 3.5Å; E208-K212 PolarHBondContact O-N 2.99Å; E208-K212 VanDerWaalsContact O-N 3.12Å
209E55.5Low56Low144 Ų144116.3 Ų116.367%0.67365%0.647SS**Hα-helixtrans-69.3-33.7173.4-67.1-174.4119.700113.8S207 K212 L213S207-E209 PolarHBondContact O-N 3.49Å; S207-E209 VanDerWaalsContact O-N 3.11Å; S207-E209 PolarHBondContact OG-N 3Å; E209-K212 PolarHBondContact O-N 3.28Å; E209-L213 WeakPolarHBondContact O-CB 3.33Å; E209-L213 PolarHBondContact O-N 3.08Å
210Q57.6Low58.2Low129 Ų129115 Ų11560%0.60363%0.631SS**Hα-helixtrans-75.6-35.8-177.3-161.6168.113.700110.9I206 S207 L214I206-Q210 HydrophobicContact CG2-CB 4.39Å; S207-Q210 WeakPolarHBondContact O-CB 3.4Å; S207-Q210 PolarHBondContact O-N 3.27Å; Q210-L214 WeakPolarHBondContact O-CB 3.39Å; Q210-L214 PolarHBondContact O-N 2.98Å
211E58.6Low59.6Low145 Ų145112.6 Ų112.668%0.67862%0.622SS**Hα-helixtrans-65.1-42.2169.2-171171.5-157.600111.4S207 L214 A215S207-E211 PolarHBondContact O-N 3.37Å; E211-L214 WeakPolarHBondContact O-CB 3.41Å; E211-L214 PolarHBondContact O-N 3.41Å; E211-A215 WeakPolarHBondContact O-CB 3.44Å; E211-A215 PolarHBondContact O-N 3.44Å
212K62.9Low61.8Low157 Ų157110.9 Ų110.968%0.68361%0.612SS**Hα-helixtrans-64.1-40.1177.3-161.8173-172.41750113.1E208 E209 A215 Q216E208-K212 VanDerWaalsContact O-CB 3.32Å; E208-K212 WeakPolarHBondContact O-CB 3.5Å; E208-K212 PolarHBondContact O-N 2.99Å; E208-K212 VanDerWaalsContact O-N 3.12Å; E209-K212 PolarHBondContact O-N 3.28Å; K212-A215 PolarHBondContact O-N 3.22Å; K212-Q216 WeakPolarHBondContact O-CB 3.07Å; K212-Q216 PolarHBondContact O-N 3.39Å
213L63.8Low64.1Low99 Ų99110.2 Ų110.252%0.51860%0.6SS.*Hα-helixtrans-67.4-35.9171.9-86.3168.1000112.6E209 Q216 K217E209-L213 WeakPolarHBondContact O-CB 3.33Å; E209-L213 PolarHBondContact O-N 3.08Å; L213-Q216 PolarHBondContact O-N 2.88Å; L213-K217 PolarHBondContact O-N 3.2Å
214L65.1Low66.3Low95 Ų95109.4 Ų109.450%0.49759%0.591SS.*Hα-helixtrans-66.5-42.7175-154.292.3000111Q210 E211 K217 K218Q210-L214 WeakPolarHBondContact O-CB 3.39Å; Q210-L214 PolarHBondContact O-N 2.98Å; E211-L214 WeakPolarHBondContact O-CB 3.41Å; E211-L214 PolarHBondContact O-N 3.41Å; L214-K217 PolarHBondContact O-N 3.44Å; L214-K218 HydrophobicContact CD2-CD 4.28Å; L214-K218 HydrophobicContact CG-CD 4.43Å; L214-K218 WeakPolarHBondContact O-CB 3.49Å; L214-K218 VanDerWaalsContact O-CG 3.31Å; L214-K218 WeakPolarHBondContact O-CG 3.39Å; L214-K218 PolarHBondContact O-N 2.96Å
215A64.9Low68.5Low44 Ų44108 Ų10836%0.36456%0.564SS.*Hα-helixtrans-62.5-46.3173.500000111.4E211 K212 K217 K218 I219E211-A215 WeakPolarHBondContact O-CB 3.44Å; E211-A215 PolarHBondContact O-N 3.44Å; K212-A215 PolarHBondContact O-N 3.22Å; A215-K217 VanDerWaalsContact C-N 3.27Å; A215-K217 PolarHBondContact O-N 3.43Å; A215-K218 PolarHBondContact O-N 3.38Å; A215-K218 VanDerWaalsContact O-N 3.09Å; A215-I219 VanDerWaalsContact O-CG1 3.3Å; A215-I219 WeakPolarHBondContact O-CG1 3.43Å; A215-I219 PolarHBondContact O-N 3.06Å
216Q69.7Low70.7Confident135 Ų135109.4 Ų109.463%0.63155%0.554SS**Hα-helixtrans-60.1-33.8177.6-170177.919.300112.8K212 L213 P220K212-Q216 WeakPolarHBondContact O-CB 3.07Å; K212-Q216 PolarHBondContact O-N 3.39Å; L213-Q216 PolarHBondContact O-N 2.88Å; Q216-P220 WeakPolarHBondContact O-CD 3.47Å
217K70.1Confident72.7Confident174 Ų174108.2 Ų108.276%0.75755%0.546SS*.Hα-helixtrans-79.5-28.9173.2-75.7-173.4175.4-177.20114.1L213 L214 A215L213-K217 PolarHBondContact O-N 3.2Å; L214-K217 PolarHBondContact O-N 3.44Å; A215-K217 VanDerWaalsContact C-N 3.27Å; A215-K217 PolarHBondContact O-N 3.43Å
218K76.9Confident74.4Confident128 Ų128111.2 Ų111.256%0.55755%0.554SS**Hα-helixtrans-80.9-35.2-179.6-77.2178.3175.3-176.20113.7L214 A215 G221 L222L214-K218 HydrophobicContact CD2-CD 4.28Å; L214-K218 HydrophobicContact CG-CD 4.43Å; L214-K218 WeakPolarHBondContact O-CB 3.49Å; L214-K218 VanDerWaalsContact O-CG 3.31Å; L214-K218 WeakPolarHBondContact O-CG 3.39Å; L214-K218 PolarHBondContact O-N 2.96Å; A215-K218 PolarHBondContact O-N 3.38Å; A215-K218 VanDerWaalsContact O-N 3.09Å; K218-G221 PolarHBondContact O-N 3.48Å; K218-L222 PolarHBondContact O-N 3.46Å
219I77.2Confident76.2Confident91 Ų91110.7 Ų110.747%0.46755%0.546SS..Hα-helixtrans-57.1-47-178.3-71.3161.3000112.6A215 G221 L222 Q223A215-I219 VanDerWaalsContact O-CG1 3.3Å; A215-I219 WeakPolarHBondContact O-CG1 3.43Å; A215-I219 PolarHBondContact O-N 3.06Å; I219-G221 PolarHBondContact O-N 2.95Å; I219-L222 PolarHBondContact O-N 2.93Å; I219-Q223 WeakPolarHBondContact O-CG 3.23Å; I219-Q223 PolarHBondContact O-N 2.86Å
220P80.9Confident78.1Confident63 Ų63108.5 Ų108.541%0.40953%0.534SS..Hα-helixtrans-61-42.1176.8-24.834.8000112.9Q216 L222 Q223 T224Q216-P220 WeakPolarHBondContact O-CD 3.47Å; P220-L222 VanDerWaalsContact C-N 3.35Å; P220-L222 PolarHBondContact O-N 3.4Å; P220-Q223 WeakPolarHBondContact O-CB 3.46Å; P220-Q223 PolarHBondContact O-N 3.07Å; P220-Q223 VanDerWaalsContact O-N 3.11Å; P220-T224 PolarHBondContact O-N 2.67Å; P220-T224 PolarHBondContact O-OG1 3.31Å
221G81.8Confident79.8Confident37 Ų37105.2 Ų105.238%0.38153%0.525SS..Hα-helixtrans-62.8-39.8178.300000112.9K218 I219 Q223 T224 Q225K218-G221 PolarHBondContact O-N 3.48Å; I219-G221 PolarHBondContact O-N 2.95Å; G221-Q223 VanDerWaalsContact C-N 3.34Å; G221-T224 PolarHBondContact O-N 3.41Å; G221-Q225 WeakPolarHBondContact O-CG 3.42Å; G221-Q225 PolarHBondContact O-N 3.31Å
222L84.4Confident81.5Confident110 Ų110100.7 Ų100.758%0.57651%0.513SS*.Hα-helixtrans-67.2-33.3173.2-67.9172.7000112.4K218 I219 P220 L226K218-L222 PolarHBondContact O-N 3.46Å; I219-L222 PolarHBondContact O-N 2.93Å; P220-L222 VanDerWaalsContact C-N 3.35Å; P220-L222 PolarHBondContact O-N 3.4Å; L222-L226 WeakPolarHBondContact O-CB 3.37Å; L222-L226 PolarHBondContact O-N 3.29Å
223Q86.3Confident83Confident122 Ų12298.9 Ų98.957%0.5751%0.51SS*.Hα-helixtrans-68.8-41.4173.6-73.3174.6-15.600112.1I219 P220 G221 L226 E227I219-Q223 WeakPolarHBondContact O-CG 3.23Å; I219-Q223 PolarHBondContact O-N 2.86Å; P220-Q223 WeakPolarHBondContact O-CB 3.46Å; P220-Q223 PolarHBondContact O-N 3.07Å; P220-Q223 VanDerWaalsContact O-N 3.11Å; G221-Q223 VanDerWaalsContact C-N 3.34Å; Q223-L226 PolarHBondContact O-N 3.45Å; Q223-E227 PolarHBondContact O-N 3.44Å; Q223-E227 VanDerWaalsContact O-N 3.08Å
224T87.3Confident84.6Confident79 Ų79101.9 Ų101.949%0.48552%0.516SS..Hα-helixtrans-62.9-47.5174.9-45.90000110.9P220 G221 L226 E227 E228P220-T224 PolarHBondContact O-N 2.67Å; P220-T224 PolarHBondContact O-OG1 3.31Å; G221-T224 PolarHBondContact O-N 3.41Å; T224-L226 VanDerWaalsContact C-N 3.32Å; T224-L226 PolarHBondContact O-N 3.28Å; T224-E227 PolarHBondContact O-N 2.87Å; T224-E227 VanDerWaalsContact O-N 3.12Å; T224-E228 WeakPolarHBondContact O-CG 3.45Å; T224-E228 PolarHBondContact O-N 3.35Å
225Q90.8Very high86Confident92 Ų92103.2 Ų103.243%0.4352%0.519SS..Hα-helixtrans-58.9-41.3174.8-74.7-179.8-16.400112.4G221 E227 E228 Y229G221-Q225 WeakPolarHBondContact O-CG 3.42Å; G221-Q225 PolarHBondContact O-N 3.31Å; Q225-E227 VanDerWaalsContact C-N 3.31Å; Q225-E227 PolarHBondContact O-N 3.16Å; Q225-E228 PolarHBondContact O-N 2.82Å; Q225-Y229 HydrophobicContact CB-CD2 4.48Å; Q225-Y229 HydrophobicContact CB-CE2 4.15Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.39Å; Q225-Y229 PolarHBondContact O-N 3.34Å
226L90.4Very high87.5Confident97 Ų97106.4 Ų106.451%0.50853%0.53SS..Hα-helixtrans-60.3-40.7175.9-174.972.8000111.9L222 Q223 T224 Y229 K230L222-L226 WeakPolarHBondContact O-CB 3.37Å; L222-L226 PolarHBondContact O-N 3.29Å; Q223-L226 PolarHBondContact O-N 3.45Å; T224-L226 VanDerWaalsContact C-N 3.32Å; T224-L226 PolarHBondContact O-N 3.28Å; L226-Y229 PolarHBondContact O-N 2.92Å; L226-K230 WeakPolarHBondContact O-CG 3.38Å; L226-K230 PolarHBondContact O-N 2.96Å
227E91.1Very high88.8Confident110 Ų110105.8 Ų105.851%0.51453%0.527SS..Hα-helixtrans-73.4-36.3179.2-150.161-144.600112.2Q223 T224 Q225 K230 S231Q223-E227 PolarHBondContact O-N 3.44Å; Q223-E227 VanDerWaalsContact O-N 3.08Å; T224-E227 PolarHBondContact O-N 2.87Å; T224-E227 VanDerWaalsContact O-N 3.12Å; Q225-E227 VanDerWaalsContact C-N 3.31Å; Q225-E227 PolarHBondContact O-N 3.16Å; E227-K230 PolarHBondContact O-N 2.87Å; E227-K230 IonicContact OE1-NZ 3.27Å; E227-K230 IonicContact OE2-NZ 2.75Å; E227-K230 PolarHBondContact OE2-NZ 2.98Å; E227-S231 WeakPolarHBondContact O-CB 3.43Å; E227-S231 PolarHBondContact O-N 3.46Å
228E92.1Very high90Very high119 Ų119101.5 Ų101.556%0.55651%0.511SS*.Hα-helixtrans-59.2-46.3169.1-72.1168.5-174.300111.3T224 Q225 K230 S231 A232T224-E228 WeakPolarHBondContact O-CG 3.45Å; T224-E228 PolarHBondContact O-N 3.35Å; Q225-E228 PolarHBondContact O-N 2.82Å; E228-K230 PolarHBondContact O-N 3.05Å; E228-S231 PolarHBondContact O-N 2.84Å; E228-A232 WeakPolarHBondContact O-CB 3.42Å; E228-A232 PolarHBondContact O-N 3.15Å
229Y93.4Very high90.9Very high154 Ų154100.8 Ų100.860%0.60451%0.51SS*.Hα-helixtrans-63.8-37.8175.9-70.5-53000112.9Q225 L226 A232 L233Q225-Y229 HydrophobicContact CB-CD2 4.48Å; Q225-Y229 HydrophobicContact CB-CE2 4.15Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.39Å; Q225-Y229 PolarHBondContact O-N 3.34Å; L226-Y229 PolarHBondContact O-N 2.92Å; Y229-A232 PolarHBondContact O-N 3.29Å; Y229-L233 WeakPolarHBondContact O-CB 3.44Å; Y229-L233 WeakPolarHBondContact O-CG 3.44Å; Y229-L233 PolarHBondContact O-N 3.04Å
230K94.9Very high91.8Very high98 Ų98102.1 Ų102.143%0.42651%0.512SS..Hα-helixtrans-64.2-43.9172.9-71.9174.2-162.5161.20111.9L226 E227 E228 L233 Y234L226-K230 WeakPolarHBondContact O-CG 3.38Å; L226-K230 PolarHBondContact O-N 2.96Å; E227-K230 PolarHBondContact O-N 2.87Å; E227-K230 IonicContact OE1-NZ 3.27Å; E227-K230 IonicContact OE2-NZ 2.75Å; E227-K230 PolarHBondContact OE2-NZ 2.98Å; E228-K230 PolarHBondContact O-N 3.05Å; K230-L233 PolarHBondContact O-N 2.72Å; K230-Y234 PolarHBondContact O-N 2.63Å
231S93.6Very high92.6Very high60 Ų60105.6 Ų105.642%0.4252%0.523SS..Hα-helixtrans-61.5-45.1176.9-175.30000111E227 E228 Y234 Q235E227-S231 WeakPolarHBondContact O-CB 3.43Å; E227-S231 PolarHBondContact O-N 3.46Å; E228-S231 PolarHBondContact O-N 2.84Å; S231-Y234 PolarHBondContact O-N 3.31Å; S231-Q235 WeakPolarHBondContact O-CG 3.38Å; S231-Q235 PolarHBondContact O-N 2.65Å; S231-Q235 PolarHBondContact OG-NE2 3Å
232A94.8Very high93.3Very high51 Ų51112 Ų11242%0.42154%0.536SS..Hα-helixtrans-60.7-44.9174.600000112.2E228 Y229 Y234 Q235 L236E228-A232 WeakPolarHBondContact O-CB 3.42Å; E228-A232 PolarHBondContact O-N 3.15Å; Y229-A232 PolarHBondContact O-N 3.29Å; A232-Y234 VanDerWaalsContact C-N 3.34Å; A232-Y234 PolarHBondContact O-N 2.98Å; A232-Q235 PolarHBondContact O-N 3.4Å; A232-L236 WeakPolarHBondContact O-CB 3.49Å; A232-L236 PolarHBondContact O-N 2.85Å
233L94.5Very high93.8Very high119 Ų119111.1 Ų111.162%0.62353%0.531SS*.Hα-helixtrans-60.4-41.2174.7-78.5170000112.4Y229 K230 L236 Q237Y229-L233 WeakPolarHBondContact O-CB 3.44Å; Y229-L233 WeakPolarHBondContact O-CG 3.44Å; Y229-L233 PolarHBondContact O-N 3.04Å; K230-L233 PolarHBondContact O-N 2.72Å; L233-L236 PolarHBondContact O-N 3.47Å; L233-Q237 WeakPolarHBondContact O-CB 3.48Å; L233-Q237 PolarHBondContact O-N 2.86Å
234Y95.9Very high94.3Very high161 Ų161110.7 Ų110.763%0.63153%0.529SS*.Hα-helixtrans-66.4-41177.5-173.7-107.8000112.2K230 S231 A232 Q237 I238K230-Y234 PolarHBondContact O-N 2.63Å; S231-Y234 PolarHBondContact O-N 3.31Å; A232-Y234 VanDerWaalsContact C-N 3.34Å; A232-Y234 PolarHBondContact O-N 2.98Å; Y234-Q237 WeakPolarHBondContact O-CB 3.4Å; Y234-Q237 PolarHBondContact O-N 3.43Å; Y234-I238 HydrophobicContact CD1-CD1 3.87Å; Y234-I238 HydrophobicContact CE1-CD1 3.45Å; Y234-I238 VanDerWaalsContact CE1-CD1 3.45Å; Y234-I238 HydrophobicContact CE1-CG1 4.45Å; Y234-I238 WeakPolarHBondContact O-CG1 3.29Å; Y234-I238 PolarHBondContact O-N 3.18Å
235Q95.3Very high94.6Very high124 Ų124110 Ų11058%0.57953%0.527SS*.Hα-helixtrans-63.3-43.6173-69.3176.736.200111.7S231 A232 Q237 I238 Q239S231-Q235 WeakPolarHBondContact O-CG 3.38Å; S231-Q235 PolarHBondContact O-N 2.65Å; S231-Q235 PolarHBondContact OG-NE2 3Å; A232-Q235 PolarHBondContact O-N 3.4Å; Q235-Q237 VanDerWaalsContact C-N 3.31Å; Q235-Q237 PolarHBondContact O-N 3.44Å; Q235-I238 PolarHBondContact O-N 2.92Å; Q235-Q239 WeakPolarHBondContact O-CB 3.39Å; Q235-Q239 PolarHBondContact O-N 3.4Å
236L95.5Very high94.9Very high110 Ų110109.6 Ų109.658%0.57653%0.526SS*.Hα-helixtrans-63.2-37.3176.7-14783.5000111.8A232 L233 Q239 K240A232-L236 WeakPolarHBondContact O-CB 3.49Å; A232-L236 PolarHBondContact O-N 2.85Å; L233-L236 PolarHBondContact O-N 3.47Å; L236-Q239 PolarHBondContact O-N 3.27Å; L236-K240 WeakPolarHBondContact O-CB 3.32Å; L236-K240 PolarHBondContact O-N 3.25Å
237Q97Very high95Very high122 Ų122108.4 Ų108.457%0.5752%0.522SS*.Hα-helixtrans-63.1-44.9175-170.480.1-1.900111.4L233 Y234 Q235 K240 Q241L233-Q237 WeakPolarHBondContact O-CB 3.48Å; L233-Q237 PolarHBondContact O-N 2.86Å; Y234-Q237 WeakPolarHBondContact O-CB 3.4Å; Y234-Q237 PolarHBondContact O-N 3.43Å; Q235-Q237 VanDerWaalsContact C-N 3.31Å; Q235-Q237 PolarHBondContact O-N 3.44Å; Q237-K240 PolarHBondContact O-N 3.37Å; Q237-Q241 PolarHBondContact O-N 2.95Å
238I96.6Very high95.2Very high85 Ų85105.5 Ų105.544%0.43652%0.517SS..Hα-helixtrans-64.4-45175.1-69.2168000110.7Y234 Q235 K240 Q241 R242Y234-I238 HydrophobicContact CD1-CD1 3.87Å; Y234-I238 HydrophobicContact CE1-CD1 3.45Å; Y234-I238 VanDerWaalsContact CE1-CD1 3.45Å; Y234-I238 HydrophobicContact CE1-CG1 4.45Å; Y234-I238 WeakPolarHBondContact O-CG1 3.29Å; Y234-I238 PolarHBondContact O-N 3.18Å; Q235-I238 PolarHBondContact O-N 2.92Å; I238-K240 VanDerWaalsContact C-N 3.33Å; I238-K240 PolarHBondContact O-N 2.97Å; I238-Q241 PolarHBondContact O-N 3.15Å; I238-R242 WeakPolarHBondContact O-CB 3.45Å; I238-R242 PolarHBondContact O-N 3.25Å
239Q96.3Very high95.4Very high112 Ų112105.7 Ų105.752%0.52352%0.52SS..Hα-helixtrans-61.4-42.8178.4-172.21807.600111.4Q235 L236 R242 L243Q235-Q239 WeakPolarHBondContact O-CB 3.39Å; Q235-Q239 PolarHBondContact O-N 3.4Å; L236-Q239 PolarHBondContact O-N 3.27Å; Q239-R242 PolarHBondContact O-N 3.46Å; Q239-L243 HydrophobicContact CG-CD1 4.19Å; Q239-L243 WeakPolarHBondContact O-CB 3.25Å; Q239-L243 WeakPolarHBondContact O-CG 3.4Å; Q239-L243 PolarHBondContact O-N 2.95Å
240K95.4Very high95.4Very high119 Ų119103.1 Ų103.152%0.51752%0.516SS..Hα-helixtrans-58.1-47.7172.8177.4-178.1174.9-178.80111.5L236 Q237 I238 R242 L243 Q244L236-K240 WeakPolarHBondContact O-CB 3.32Å; L236-K240 PolarHBondContact O-N 3.25Å; Q237-K240 PolarHBondContact O-N 3.37Å; I238-K240 VanDerWaalsContact C-N 3.33Å; I238-K240 PolarHBondContact O-N 2.97Å; K240-R242 VanDerWaalsContact C-N 3.35Å; K240-R242 PolarHBondContact O-N 3.47Å; K240-L243 PolarHBondContact O-N 2.8Å; K240-Q244 WeakPolarHBondContact O-CB 3.48Å; K240-Q244 VanDerWaalsContact O-CG 3.31Å; K240-Q244 WeakPolarHBondContact O-CG 3.35Å; K240-Q244 PolarHBondContact O-N 3.49Å
241Q97.1Very high95.5Very high136 Ų136104.5 Ų104.564%0.63652%0.524SS*.Hα-helixtrans-65.7-38-179.7-170172.18.900112.2Q237 I238 Q244 S245Q237-Q241 PolarHBondContact O-N 2.95Å; I238-Q241 PolarHBondContact O-N 3.15Å; Q241-Q244 PolarHBondContact O-N 3.34Å; Q241-S245 PolarHBondContact O-N 2.93Å
242R96.2Very high95.6Very high173 Ų173108 Ų10865%0.65353%0.533SS*.Hα-helixtrans-61-52.2172.4178.3178.9171.4169.5-0111.2I238 Q239 K240 Q244 S245 E246I238-R242 WeakPolarHBondContact O-CB 3.45Å; I238-R242 PolarHBondContact O-N 3.25Å; Q239-R242 PolarHBondContact O-N 3.46Å; K240-R242 VanDerWaalsContact C-N 3.35Å; K240-R242 PolarHBondContact O-N 3.47Å; R242-Q244 VanDerWaalsContact C-N 3.28Å; R242-Q244 PolarHBondContact O-N 2.97Å; R242-S245 PolarHBondContact O-N 3.24Å; R242-S245 VanDerWaalsContact O-N 3.08Å; R242-S245 PolarHBondContact O-OG 3.44Å; R242-E246 PolarHBondContact O-N 3.19Å
243L94.6Very high95.6Very high91 Ų91109.5 Ų109.548%0.47654%0.538SS..Hα-helixtrans-59-39.9177.9-72.7170.3000111.6Q239 K240 S245 E246 T247Q239-L243 HydrophobicContact CG-CD1 4.19Å; Q239-L243 WeakPolarHBondContact O-CB 3.25Å; Q239-L243 WeakPolarHBondContact O-CG 3.4Å; Q239-L243 PolarHBondContact O-N 2.95Å; K240-L243 PolarHBondContact O-N 2.8Å; L243-S245 PolarHBondContact O-N 2.95Å; L243-E246 PolarHBondContact O-N 3.15Å; L243-T247 WeakPolarHBondContact O-CG2 3.47Å; L243-T247 PolarHBondContact O-N 3.44Å; L243-T247 PolarHBondContact O-OG1 2.85Å
244Q96.8Very high95.5Very high112 Ų112108.2 Ų108.252%0.52353%0.53SS..Hα-helixtrans-63.1-37.4174.5-75.8-179.3-45.900113.2K240 Q241 R242 T247 A248K240-Q244 WeakPolarHBondContact O-CB 3.48Å; K240-Q244 VanDerWaalsContact O-CG 3.31Å; K240-Q244 WeakPolarHBondContact O-CG 3.35Å; K240-Q244 PolarHBondContact O-N 3.49Å; Q241-Q244 PolarHBondContact O-N 3.34Å; R242-Q244 VanDerWaalsContact C-N 3.28Å; R242-Q244 PolarHBondContact O-N 2.97Å; Q244-T247 WeakPolarHBondContact CA-OG1 3.43Å; Q244-T247 PolarHBondContact O-OG1 3.4Å; Q244-A248 WeakPolarHBondContact O-CB 3.41Å; Q244-A248 PolarHBondContact O-N 3.43Å; Q244-A248 VanDerWaalsContact O-N 3.14Å
245S95.1Very high95.6Very high64 Ų64105.8 Ų105.845%0.44852%0.523SS..Hα-helixtrans-70.1-35173.967.80000112.4Q241 R242 L243 A248 M249Q241-S245 PolarHBondContact O-N 2.93Å; R242-S245 PolarHBondContact O-N 3.24Å; R242-S245 VanDerWaalsContact O-N 3.08Å; R242-S245 PolarHBondContact O-OG 3.44Å; L243-S245 PolarHBondContact O-N 2.95Å; S245-A248 PolarHBondContact O-N 3.12Å; S245-M249 WeakPolarHBondContact O-CG 3.1Å; S245-M249 PolarHBondContact O-N 3.01Å
246E95.6Very high95.5Very high85 Ų85102.4 Ų102.440%0.39751%0.513SS..Hα-helixtrans-69.5-44.6177.8-170169173.500111.4R242 L243 A248 M249 L250R242-E246 PolarHBondContact O-N 3.19Å; L243-E246 PolarHBondContact O-N 3.15Å; E246-A248 PolarHBondContact O-N 3.45Å; E246-M249 PolarHBondContact O-N 2.9Å; E246-L250 WeakPolarHBondContact O-CG 3.3Å; E246-L250 PolarHBondContact O-N 3.38Å
247T92.9Very high95.3Very high71 Ų71100 Ų10044%0.43650%0.503SS..Hα-helixtrans-61.4-42.4173.153.20000111.8L243 Q244 M249 L250 E251L243-T247 WeakPolarHBondContact O-CG2 3.47Å; L243-T247 PolarHBondContact O-N 3.44Å; L243-T247 PolarHBondContact O-OG1 2.85Å; Q244-T247 WeakPolarHBondContact CA-OG1 3.43Å; Q244-T247 PolarHBondContact O-OG1 3.4Å; T247-M249 VanDerWaalsContact C-N 3.34Å; T247-M249 PolarHBondContact O-N 3.35Å; T247-L250 PolarHBondContact O-N 2.92Å; T247-E251 WeakPolarHBondContact O-CB 3.39Å; T247-E251 VanDerWaalsContact O-CG 3.29Å; T247-E251 WeakPolarHBondContact O-CG 3.34Å; T247-E251 PolarHBondContact O-N 2.71Å
248A96.2Very high95.1Very high50 Ų5099.3 Ų99.341%0.41350%0.5SS..Hα-helixtrans-64.1-37177.700000112.8Q244 S245 E246 Q252Q244-A248 WeakPolarHBondContact O-CB 3.41Å; Q244-A248 PolarHBondContact O-N 3.43Å; Q244-A248 VanDerWaalsContact O-N 3.14Å; S245-A248 PolarHBondContact O-N 3.12Å; E246-A248 PolarHBondContact O-N 3.45Å; A248-Q252 WeakPolarHBondContact O-CB 3.43Å; A248-Q252 PolarHBondContact O-N 3.37Å
249M96.3Very high95Very high122 Ų12299.4 Ų99.460%0.60150%0.499SS*.Hα-helixtrans-67.1-42.5173-72.3-170.1-56.900111.9S245 E246 T247 Q252 T253S245-M249 WeakPolarHBondContact O-CG 3.1Å; S245-M249 PolarHBondContact O-N 3.01Å; E246-M249 PolarHBondContact O-N 2.9Å; T247-M249 VanDerWaalsContact C-N 3.34Å; T247-M249 PolarHBondContact O-N 3.35Å; M249-Q252 PolarHBondContact O-N 3.15Å; M249-T253 PolarHBondContact O-N 2.99Å; M249-T253 PolarHBondContact O-OG1 3.46Å
250L93.6Very high94.9Very high101 Ų10198.8 Ų98.853%0.52950%0.499SS..Hα-helixtrans-64.5-43176.6-69.9171.6000111.8E246 T247 Q252 T253 I254E246-L250 WeakPolarHBondContact O-CG 3.3Å; E246-L250 PolarHBondContact O-N 3.38Å; T247-L250 PolarHBondContact O-N 2.92Å; L250-Q252 PolarHBondContact O-N 3.2Å; L250-T253 PolarHBondContact O-N 2.91Å; L250-I254 WeakPolarHBondContact O-CB 3.3Å; L250-I254 VanDerWaalsContact O-CG1 3.25Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 3.06Å
251E95.6Very high94.6Very high127 Ų127100 Ų10059%0.59350%0.501SS*.Hα-helixtrans-59-44.4173.3-75169.9-179.400111.6T247 I254 K255T247-E251 WeakPolarHBondContact O-CB 3.39Å; T247-E251 VanDerWaalsContact O-CG 3.29Å; T247-E251 WeakPolarHBondContact O-CG 3.34Å; T247-E251 PolarHBondContact O-N 2.71Å; E251-I254 PolarHBondContact O-N 2.93Å; E251-K255 WeakPolarHBondContact O-CB 3.33Å; E251-K255 PolarHBondContact O-N 3.31Å
252Q96.2Very high94.4Very high132 Ų13298.4 Ų98.462%0.61750%0.497SS*.Hα-helixtrans-62.4-41.6175.1-175.472.533.500112A248 M249 L250 S256A248-Q252 WeakPolarHBondContact O-CB 3.43Å; A248-Q252 PolarHBondContact O-N 3.37Å; M249-Q252 PolarHBondContact O-N 3.15Å; L250-Q252 PolarHBondContact O-N 3.2Å; Q252-S256 WeakPolarHBondContact O-CB 3.05Å; Q252-S256 PolarHBondContact O-N 3.08Å
253T94.6Very high94.3Very high84 Ų8494.9 Ų94.952%0.51549%0.491SS..Hα-helixtrans-65.7-47.3176.2-58.20000111.3M249 L250 K255 S256 T257M249-T253 PolarHBondContact O-N 2.99Å; M249-T253 PolarHBondContact O-OG1 3.46Å; L250-T253 PolarHBondContact O-N 2.91Å; T253-K255 VanDerWaalsContact C-N 3.33Å; T253-K255 PolarHBondContact O-N 3.04Å; T253-S256 PolarHBondContact O-N 2.97Å; T253-T257 WeakPolarHBondContact O-CG2 3.45Å; T253-T257 PolarHBondContact O-N 3.17Å; T253-T257 PolarHBondContact O-OG1 3.26Å
254I93.6Very high94.2Very high91 Ų9194.7 Ų94.747%0.46749%0.488SS..Hα-helixtrans-56-49.6176-71.1164.1000109.7L250 E251 S256 T257 Q258L250-I254 WeakPolarHBondContact O-CB 3.3Å; L250-I254 VanDerWaalsContact O-CG1 3.25Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 3.06Å; E251-I254 PolarHBondContact O-N 2.93Å; I254-S256 PolarHBondContact O-N 2.79Å; I254-T257 WeakPolarHBondContact CA-OG1 3.42Å; I254-T257 PolarHBondContact O-N 3.05Å; I254-T257 VanDerWaalsContact O-N 3.15Å; I254-T257 PolarHBondContact O-OG1 2.95Å; I254-Q258 HydrophobicContact CG2-CG 4.38Å; I254-Q258 WeakPolarHBondContact O-CG 3.41Å; I254-Q258 PolarHBondContact O-N 2.78Å
255K96.8Very high94Very high110 Ų11093.8 Ų93.848%0.47849%0.486SS..Hα-helixtrans-58.7-44.7177.9-170.9173.1-172.2-78.40112.5E251 T253 T257 Q258 E259E251-K255 WeakPolarHBondContact O-CB 3.33Å; E251-K255 PolarHBondContact O-N 3.31Å; T253-K255 VanDerWaalsContact C-N 3.33Å; T253-K255 PolarHBondContact O-N 3.04Å; K255-T257 PolarHBondContact O-N 3.34Å; K255-Q258 PolarHBondContact O-N 3.38Å; K255-E259 IonicContact NZ-OE1 2.82Å; K255-E259 PolarHBondContact NZ-OE1 3.16Å; K255-E259 WeakPolarHBondContact O-CG 3.46Å; K255-E259 PolarHBondContact O-N 3.17Å
256S93.9Very high94Very high54 Ų5495.9 Ų95.938%0.37849%0.488SS..Hα-helixtrans-64.5-37.5176.4-1790000112.5Q252 T253 I254 N260Q252-S256 WeakPolarHBondContact O-CB 3.05Å; Q252-S256 PolarHBondContact O-N 3.08Å; T253-S256 PolarHBondContact O-N 2.97Å; I254-S256 PolarHBondContact O-N 2.79Å; S256-N260 PolarHBondContact O-N 3.48Å; S256-N260 VanDerWaalsContact O-N 3.09Å; S256-N260 PolarHBondContact O-ND2 3.48Å
257T90.5Very high94Very high59 Ų5997.1 Ų97.136%0.36250%0.497SS..Hα-helixtrans-69.2-37.3174.556.90000112.4T253 I254 K255 N260 Y261T253-T257 WeakPolarHBondContact O-CG2 3.45Å; T253-T257 PolarHBondContact O-N 3.17Å; T253-T257 PolarHBondContact O-OG1 3.26Å; I254-T257 WeakPolarHBondContact CA-OG1 3.42Å; I254-T257 PolarHBondContact O-N 3.05Å; I254-T257 VanDerWaalsContact O-N 3.15Å; I254-T257 PolarHBondContact O-OG1 2.95Å; K255-T257 PolarHBondContact O-N 3.34Å; T257-N260 PolarHBondContact O-N 3.49Å; T257-Y261 WeakPolarHBondContact O-CD2 3.41Å; T257-Y261 PolarHBondContact O-N 3.43Å
258Q93.4Very high93.8Very high107 Ų107100.4 Ų100.450%0.550%0.503SS..Hα-helixtrans-63-49.2174.2-73.5170.1-19.600111.1I254 K255 N260 Y261 D262I254-Q258 HydrophobicContact CG2-CG 4.38Å; I254-Q258 WeakPolarHBondContact O-CG 3.41Å; I254-Q258 PolarHBondContact O-N 2.78Å; K255-Q258 PolarHBondContact O-N 3.38Å; Q258-N260 VanDerWaalsContact C-N 3.26Å; Q258-N260 PolarHBondContact O-N 2.93Å; Q258-Y261 PolarHBondContact O-N 2.91Å; Q258-Y261 VanDerWaalsContact O-N 3.11Å; Q258-D262 PolarHBondContact O-N 2.92Å
259E95.1Very high93.7Very high88 Ų88102.5 Ų102.541%0.41151%0.507SS..Hα-helixtrans-58.3-37.2176.1-72.9171.1-176.600111.8K255 N263K255-E259 IonicContact NZ-OE1 2.82Å; K255-E259 PolarHBondContact NZ-OE1 3.16Å; K255-E259 WeakPolarHBondContact O-CG 3.46Å; K255-E259 PolarHBondContact O-N 3.17Å; E259-N263 WeakPolarHBondContact O-CB 3.41Å; E259-N263 VanDerWaalsContact O-CG 3.23Å; E259-N263 PolarHBondContact O-N 3.43Å; E259-N263 PolarHBondContact O-ND2 3.21Å
260N93.2Very high93.7Very high99 Ų99101.7 Ų101.753%0.52950%0.502SS..Hα-helixtrans-65.1-45.3174.5-70-18000112.4S256 T257 Q258 N263 E264S256-N260 PolarHBondContact O-N 3.48Å; S256-N260 VanDerWaalsContact O-N 3.09Å; S256-N260 PolarHBondContact O-ND2 3.48Å; T257-N260 PolarHBondContact O-N 3.49Å; Q258-N260 VanDerWaalsContact C-N 3.26Å; Q258-N260 PolarHBondContact O-N 2.93Å; N260-N263 PolarHBondContact O-N 3.2Å; N260-E264 PolarHBondContact O-N 2.83Å
261Y89.4Confident93.7Very high145 Ų145101.8 Ų101.857%0.56950%0.498SS*.Hα-helixtrans-66.7-38.2176.5-68.8-55.1000112.4T257 Q258 N263 E264 I265T257-Y261 WeakPolarHBondContact O-CD2 3.41Å; T257-Y261 PolarHBondContact O-N 3.43Å; Q258-Y261 PolarHBondContact O-N 2.91Å; Q258-Y261 VanDerWaalsContact O-N 3.11Å; Y261-N263 VanDerWaalsContact C-N 3.33Å; Y261-N263 PolarHBondContact O-N 3.39Å; Y261-E264 PolarHBondContact O-N 3.41Å; Y261-I265 WeakPolarHBondContact O-CB 3.43Å; Y261-I265 WeakPolarHBondContact O-CD1 3.27Å; Y261-I265 VanDerWaalsContact O-CG1 3.23Å; Y261-I265 WeakPolarHBondContact O-CG1 3.5Å; Y261-I265 PolarHBondContact O-N 2.92Å
262D93.7Very high93.5Very high102 Ų10299.4 Ų99.455%0.54549%0.488SS..Hα-helixtrans-62-41.1175.6-73.9-27.6000111.2Q258 I265 Q266Q258-D262 PolarHBondContact O-N 2.92Å; D262-I265 PolarHBondContact O-N 3.34Å; D262-Q266 WeakPolarHBondContact O-CB 3.26Å; D262-Q266 PolarHBondContact O-N 3.27Å
263N93.3Very high93.5Very high99 Ų9998.4 Ų98.453%0.52948%0.484SS..Hα-helixtrans-63.3-40.8173.5-73.5-47.5000112.4E259 N260 Y261 Q266 L267E259-N263 WeakPolarHBondContact O-CB 3.41Å; E259-N263 VanDerWaalsContact O-CG 3.23Å; E259-N263 PolarHBondContact O-N 3.43Å; E259-N263 PolarHBondContact O-ND2 3.21Å; N260-N263 PolarHBondContact O-N 3.2Å; Y261-N263 VanDerWaalsContact C-N 3.33Å; Y261-N263 PolarHBondContact O-N 3.39Å; N263-Q266 PolarHBondContact O-N 2.66Å; N263-L267 PolarHBondContact O-N 2.96Å
264E91.6Very high93.6Very high86 Ų8696.3 Ų96.340%0.40247%0.473SS..Hα-helixtrans-68.2-42.9177.9-160.6-173.416900111.7N260 Y261 Q266 L267 Y268N260-E264 PolarHBondContact O-N 2.83Å; Y261-E264 PolarHBondContact O-N 3.41Å; E264-Q266 VanDerWaalsContact C-N 3.3Å; E264-Q266 PolarHBondContact O-N 2.95Å; E264-L267 WeakPolarHBondContact O-CB 3.41Å; E264-L267 PolarHBondContact O-N 3.19Å; E264-Y268 HydrophobicContact CG-CD2 4.18Å; E264-Y268 HydrophobicContact CG-CE2 3.62Å; E264-Y268 WeakPolarHBondContact O-CD2 3.47Å; E264-Y268 PolarHBondContact O-N 2.87Å; E264-Y268 WeakPolarHBondContact OE1-CE2 3.28Å; E264-Y268 PolarHBondContact OE1-OH 3Å
265I92.6Very high93.5Very high94 Ų9495.6 Ų95.648%0.48247%0.469SS..Hα-helixtrans-59.4-41.6172-70.9164.9000110.4Y261 D262 Y268 N269Y261-I265 WeakPolarHBondContact O-CB 3.43Å; Y261-I265 WeakPolarHBondContact O-CD1 3.27Å; Y261-I265 VanDerWaalsContact O-CG1 3.23Å; Y261-I265 WeakPolarHBondContact O-CG1 3.5Å; Y261-I265 PolarHBondContact O-N 2.92Å; D262-I265 PolarHBondContact O-N 3.34Å; I265-Y268 PolarHBondContact O-N 3.5Å; I265-N269 WeakPolarHBondContact CG2-ND2 3.46Å; I265-N269 WeakPolarHBondContact O-CB 3.34Å; I265-N269 PolarHBondContact O-N 2.7Å; I265-N269 PolarHBondContact O-ND2 3.4Å
266Q95.8Very high93.4Very high107 Ų10797.5 Ų97.550%0.547%0.473SS..Hα-helixtrans-62.8-45.3175.6-174.7175.8-25.800111.5D262 N263 E264 Y268 N269 E270D262-Q266 WeakPolarHBondContact O-CB 3.26Å; D262-Q266 PolarHBondContact O-N 3.27Å; N263-Q266 PolarHBondContact O-N 2.66Å; E264-Q266 VanDerWaalsContact C-N 3.3Å; E264-Q266 PolarHBondContact O-N 2.95Å; Q266-Y268 VanDerWaalsContact C-N 3.35Å; Q266-Y268 PolarHBondContact O-N 3.4Å; Q266-N269 PolarHBondContact O-N 3.19Å; Q266-N269 VanDerWaalsContact O-N 3.16Å; Q266-E270 HydrophobicContact CG-CG 4.48Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.36Å; Q266-E270 PolarHBondContact NE2-OE1 2.98Å; Q266-E270 WeakPolarHBondContact O-CG 3.5Å; Q266-E270 PolarHBondContact O-N 2.82Å
267L95Very high93.5Very high112 Ų112100.8 Ų100.859%0.58648%0.481SS*.Hα-helixtrans-58.8-43.5176.7-176.968.6000112.2N263 E264 E270 K271N263-L267 PolarHBondContact O-N 2.96Å; E264-L267 WeakPolarHBondContact O-CB 3.41Å; E264-L267 PolarHBondContact O-N 3.19Å; L267-E270 PolarHBondContact O-N 3.31Å; L267-K271 PolarHBondContact O-N 2.92Å
268Y90.6Very high93.8Very high140 Ų140103.2 Ų103.255%0.54949%0.488SS..Hα-helixtrans-65.9-39.1175.4-70-51.2000112.5E264 I265 Q266 K271 I272E264-Y268 HydrophobicContact CG-CD2 4.18Å; E264-Y268 HydrophobicContact CG-CE2 3.62Å; E264-Y268 WeakPolarHBondContact O-CD2 3.47Å; E264-Y268 PolarHBondContact O-N 2.87Å; E264-Y268 WeakPolarHBondContact OE1-CE2 3.28Å; E264-Y268 PolarHBondContact OE1-OH 3Å; I265-Y268 PolarHBondContact O-N 3.5Å; Q266-Y268 VanDerWaalsContact C-N 3.35Å; Q266-Y268 PolarHBondContact O-N 3.4Å; Y268-K271 PolarHBondContact O-N 3.39Å; Y268-I272 VanDerWaalsContact O-CG1 3.28Å; Y268-I272 WeakPolarHBondContact O-CG1 3.34Å; Y268-I272 PolarHBondContact O-N 3.15Å
269N92.9Very high93.8Very high93 Ų93102.8 Ų102.850%0.49749%0.488SS..Hα-helixtrans-64-43174.9-78.7-56.6000112.1I265 Q266 K271 I272 E273I265-N269 WeakPolarHBondContact CG2-ND2 3.46Å; I265-N269 WeakPolarHBondContact O-CB 3.34Å; I265-N269 PolarHBondContact O-N 2.7Å; I265-N269 PolarHBondContact O-ND2 3.4Å; Q266-N269 PolarHBondContact O-N 3.19Å; Q266-N269 VanDerWaalsContact O-N 3.16Å; N269-K271 VanDerWaalsContact C-N 3.31Å; N269-K271 PolarHBondContact O-N 3.3Å; N269-I272 PolarHBondContact O-N 2.87Å; N269-E273 PolarHBondContact O-N 2.91Å
270E95.6Very high93.9Very high106 Ų106103.1 Ų103.150%0.49549%0.49SS..Hα-helixtrans-61.2-40.1173.7-72.5176.3-165.500111.3Q266 L267 E273 S274Q266-E270 HydrophobicContact CG-CG 4.48Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.36Å; Q266-E270 PolarHBondContact NE2-OE1 2.98Å; Q266-E270 WeakPolarHBondContact O-CG 3.5Å; Q266-E270 PolarHBondContact O-N 2.82Å; L267-E270 PolarHBondContact O-N 3.31Å; E270-E273 PolarHBondContact O-N 3.32Å; E270-S274 PolarHBondContact O-N 2.92Å
271K95.1Very high94Very high102 Ų102103.2 Ų103.244%0.44349%0.487SS..Hα-helixtrans-66.8-42.4175.1-174.163.5-161.9148.90112.3L267 Y268 N269 E273 S274 L275L267-K271 PolarHBondContact O-N 2.92Å; Y268-K271 PolarHBondContact O-N 3.39Å; N269-K271 VanDerWaalsContact C-N 3.31Å; N269-K271 PolarHBondContact O-N 3.3Å; K271-E273 VanDerWaalsContact C-N 3.32Å; K271-E273 PolarHBondContact O-N 3.27Å; K271-S274 PolarHBondContact NZ-OG 3.4Å; K271-S274 PolarHBondContact O-N 2.86Å; K271-S274 PolarHBondContact O-OG 3.49Å; K271-L275 HydrophobicContact CG-CD1 4.36Å; K271-L275 WeakPolarHBondContact O-CG 3.31Å; K271-L275 PolarHBondContact O-N 3.39Å
272I90.6Very high94.2Very high78 Ų7898.9 Ų98.940%0.448%0.481SS..Hα-helixtrans-58.3-44.9174.3-73162.7000110.7Y268 N269 L275 R276Y268-I272 VanDerWaalsContact O-CG1 3.28Å; Y268-I272 WeakPolarHBondContact O-CG1 3.34Å; Y268-I272 PolarHBondContact O-N 3.15Å; N269-I272 PolarHBondContact O-N 2.87Å; I272-L275 PolarHBondContact O-N 3.12Å; I272-R276 WeakPolarHBondContact O-CG 3.29Å; I272-R276 PolarHBondContact O-N 2.89Å
273E96.3Very high94.3Very high111 Ų11199.8 Ų99.852%0.51948%0.482SS..Hα-helixtrans-69.6-34.6-179.3-157.962.6-165.900112N269 E270 K271 R276 K277N269-E273 PolarHBondContact O-N 2.91Å; E270-E273 PolarHBondContact O-N 3.32Å; K271-E273 VanDerWaalsContact C-N 3.32Å; K271-E273 PolarHBondContact O-N 3.27Å; E273-R276 PolarHBondContact O-N 2.7Å; E273-R276 VanDerWaalsContact OE2-CD 3.25Å; E273-R276 WeakPolarHBondContact OE2-CD 3.36Å; E273-R276 IonicContact OE2-CZ 2.6Å; E273-R276 IonicContact OE2-NE 2.65Å; E273-R276 IonicContact OE2-NH1 2.98Å; E273-R276 PolarHBondContact OE2-NH1 2.99Å; E273-K277 PolarHBondContact O-N 3.31Å
274S96Very high94.5Very high40 Ų40100.7 Ų100.728%0.2848%0.481SS..Hα-helixtrans-59.9-46170.9770000112.3E270 K271 K277 E278E270-S274 PolarHBondContact O-N 2.92Å; K271-S274 PolarHBondContact NZ-OG 3.4Å; K271-S274 PolarHBondContact O-N 2.86Å; K271-S274 PolarHBondContact O-OG 3.49Å; S274-K277 WeakPolarHBondContact O-CB 3.49Å; S274-K277 PolarHBondContact O-N 2.88Å; S274-E278 WeakPolarHBondContact O-CG 3.46Å; S274-E278 PolarHBondContact O-N 3.03Å
275L92.2Very high94.8Very high76 Ų7699.1 Ų99.140%0.39848%0.48SS..Hα-helixtrans-67.7-37.6179.5-69.7170.1000111.9K271 I272 K277 E278 I279K271-L275 HydrophobicContact CG-CD1 4.36Å; K271-L275 WeakPolarHBondContact O-CG 3.31Å; K271-L275 PolarHBondContact O-N 3.39Å; I272-L275 PolarHBondContact O-N 3.12Å; L275-K277 VanDerWaalsContact C-N 3.33Å; L275-K277 PolarHBondContact O-N 3.22Å; L275-E278 PolarHBondContact O-N 2.93Å; L275-I279 VanDerWaalsContact O-CG1 3.27Å; L275-I279 WeakPolarHBondContact O-CG1 3.32Å; L275-I279 PolarHBondContact O-N 2.93Å
276R94.1Very high94.9Very high149 Ų14999.5 Ų99.556%0.56248%0.482SS*.Hα-helixtrans-60.5-42172.7-75.4169.3173.2172.90.2111.9I272 E273 I279 E280I272-R276 WeakPolarHBondContact O-CG 3.29Å; I272-R276 PolarHBondContact O-N 2.89Å; E273-R276 PolarHBondContact O-N 2.7Å; E273-R276 VanDerWaalsContact OE2-CD 3.25Å; E273-R276 WeakPolarHBondContact OE2-CD 3.36Å; E273-R276 IonicContact OE2-CZ 2.6Å; E273-R276 IonicContact OE2-NE 2.65Å; E273-R276 IonicContact OE2-NH1 2.98Å; E273-R276 PolarHBondContact OE2-NH1 2.99Å; R276-I279 PolarHBondContact O-N 2.88Å; R276-E280 PolarHBondContact O-N 3.49Å
277K96.8Very high95Very high123 Ų123100.3 Ų100.354%0.53549%0.486SS..Hα-helixtrans-66.4-42.4176.8-172.2173.2179.8-70.80112.1E273 S274 L275 I279 E280 E281E273-K277 PolarHBondContact O-N 3.31Å; S274-K277 WeakPolarHBondContact O-CB 3.49Å; S274-K277 PolarHBondContact O-N 2.88Å; L275-K277 VanDerWaalsContact C-N 3.33Å; L275-K277 PolarHBondContact O-N 3.22Å; K277-I279 VanDerWaalsContact C-N 3.32Å; K277-I279 PolarHBondContact O-N 3.12Å; K277-E280 PolarHBondContact O-N 2.83Å; K277-E281 IonicContact NZ-OE1 2.73Å; K277-E281 PolarHBondContact NZ-OE1 3.29Å; K277-E281 WeakPolarHBondContact O-CB 3.44Å; K277-E281 WeakPolarHBondContact O-CG 3.46Å; K277-E281 PolarHBondContact O-N 3.25Å
278E96.1Very high95.1Very high110 Ų110101.5 Ų101.551%0.51449%0.487SS..Hα-helixtrans-59.2-41.8173.2-72.4169.6-154.100111.7S274 L275 E281 A282S274-E278 WeakPolarHBondContact O-CG 3.46Å; S274-E278 PolarHBondContact O-N 3.03Å; L275-E278 PolarHBondContact O-N 2.93Å; E278-E281 PolarHBondContact O-N 3.05Å; E278-A282 WeakPolarHBondContact O-CB 3.46Å; E278-A282 PolarHBondContact O-N 3.05Å
279I93.8Very high95.4Very high98 Ų98102.2 Ų102.250%0.50349%0.489SS..Hα-helixtrans-63.8-47.8174.2-68.5163.8000111.1L275 R276 K277 E281 A282 E283L275-I279 VanDerWaalsContact O-CG1 3.27Å; L275-I279 WeakPolarHBondContact O-CG1 3.32Å; L275-I279 PolarHBondContact O-N 2.93Å; R276-I279 PolarHBondContact O-N 2.88Å; K277-I279 VanDerWaalsContact C-N 3.32Å; K277-I279 PolarHBondContact O-N 3.12Å; I279-E281 VanDerWaalsContact C-N 3.28Å; I279-E281 PolarHBondContact O-N 3.21Å; I279-A282 WeakPolarHBondContact O-CB 3.37Å; I279-A282 PolarHBondContact O-N 3.03Å; I279-A282 VanDerWaalsContact O-N 3.15Å; I279-E283 HydrophobicContact CG2-CG 4.33Å; I279-E283 WeakPolarHBondContact O-CG 3.43Å; I279-E283 PolarHBondContact O-N 3Å
280E96.7Very high95.7Very high96 Ų96102 Ų10245%0.44949%0.488SS..Hα-helixtrans-62.2-35.7179.4-160.7-161.7163.700112R276 K277 K284R276-E280 PolarHBondContact O-N 3.49Å; K277-E280 PolarHBondContact O-N 2.83Å; E280-K284 WeakPolarHBondContact O-CB 3.4Å; E280-K284 WeakPolarHBondContact O-CD 3.29Å; E280-K284 VanDerWaalsContact O-CG 3.23Å; E280-K284 WeakPolarHBondContact O-CG 3.48Å; E280-K284 PolarHBondContact O-N 3.31Å; E280-K284 WeakPolarHBondContact OE1-CE 3.43Å; E280-K284 IonicContact OE1-NZ 3.12Å; E280-K284 PolarHBondContact OE1-NZ 3.4Å; E280-K284 IonicContact OE2-NZ 2.59Å
281E96.2Very high95.8Very high100 Ų10098.9 Ų98.947%0.46748%0.477SS..Hα-helixtrans-69.7-40.7174-73.3175.8-164.700111.8K277 E278 I279 K284 S285K277-E281 IonicContact NZ-OE1 2.73Å; K277-E281 PolarHBondContact NZ-OE1 3.29Å; K277-E281 WeakPolarHBondContact O-CB 3.44Å; K277-E281 WeakPolarHBondContact O-CG 3.46Å; K277-E281 PolarHBondContact O-N 3.25Å; E278-E281 PolarHBondContact O-N 3.05Å; I279-E281 VanDerWaalsContact C-N 3.28Å; I279-E281 PolarHBondContact O-N 3.21Å; E281-K284 PolarHBondContact O-N 2.97Å; E281-S285 PolarHBondContact O-N 3.31Å
282A94Very high95.9Very high54 Ų5497.9 Ų97.945%0.44648%0.477SS..Hα-helixtrans-63.3-45.2173.700000112E278 I279 S285 L286E278-A282 WeakPolarHBondContact O-CB 3.46Å; E278-A282 PolarHBondContact O-N 3.05Å; I279-A282 WeakPolarHBondContact O-CB 3.37Å; I279-A282 PolarHBondContact O-N 3.03Å; I279-A282 VanDerWaalsContact O-N 3.15Å; A282-S285 WeakPolarHBondContact O-CB 3.49Å; A282-S285 PolarHBondContact O-N 2.95Å; A282-S285 VanDerWaalsContact O-N 3.15Å; A282-S285 PolarHBondContact O-OG 3.22Å; A282-L286 PolarHBondContact O-N 2.94Å
283E95Very high96.2Very high122 Ų12298.1 Ų98.157%0.5749%0.485SS*.Hα-helixtrans-58.8-46.7175.1-74.2-179.1164.700111.8I279 S285 L286 E287I279-E283 HydrophobicContact CG2-CG 4.33Å; I279-E283 WeakPolarHBondContact O-CG 3.43Å; I279-E283 PolarHBondContact O-N 3Å; E283-S285 VanDerWaalsContact C-N 3.29Å; E283-S285 PolarHBondContact O-N 2.96Å; E283-L286 PolarHBondContact O-N 3.23Å; E283-E287 PolarHBondContact O-N 3.11Å
284K97.3Very high96.3Very high117 Ų11799 Ų9951%0.50948%0.483SS..Hα-helixtrans-60.4-37.5174.4-74164.9-172.9161.20112.4E280 E281 K288E280-K284 WeakPolarHBondContact O-CB 3.4Å; E280-K284 WeakPolarHBondContact O-CD 3.29Å; E280-K284 VanDerWaalsContact O-CG 3.23Å; E280-K284 WeakPolarHBondContact O-CG 3.48Å; E280-K284 PolarHBondContact O-N 3.31Å; E280-K284 WeakPolarHBondContact OE1-CE 3.43Å; E280-K284 IonicContact OE1-NZ 3.12Å; E280-K284 PolarHBondContact OE1-NZ 3.4Å; E280-K284 IonicContact OE2-NZ 2.59Å; E281-K284 PolarHBondContact O-N 2.97Å; K284-K288 PolarHBondContact O-N 2.64Å; K284-K288 VanDerWaalsContact O-N 3.16Å
285S97.8Very high96.4Very high53 Ų53100.6 Ų100.637%0.37149%0.486SS..Hα-helixtrans-67.7-40.6176.284.50000111.9E281 A282 E283 K288 Y289E281-S285 PolarHBondContact O-N 3.31Å; A282-S285 WeakPolarHBondContact O-CB 3.49Å; A282-S285 PolarHBondContact O-N 2.95Å; A282-S285 VanDerWaalsContact O-N 3.15Å; A282-S285 PolarHBondContact O-OG 3.22Å; E283-S285 VanDerWaalsContact C-N 3.29Å; E283-S285 PolarHBondContact O-N 2.96Å; S285-K288 WeakPolarHBondContact O-CB 3.41Å; S285-K288 PolarHBondContact O-N 2.88Å; S285-Y289 WeakPolarHBondContact O-CD2 3.34Å; S285-Y289 PolarHBondContact O-N 2.94Å
286L95.7Very high96.6Very high103 Ų103102.8 Ų102.854%0.53950%0.497SS..Hα-helixtrans-65.8-45.3177.8179.961.9000111.4A282 E283 K288 Y289 I290A282-L286 PolarHBondContact O-N 2.94Å; E283-L286 PolarHBondContact O-N 3.23Å; L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 2.96Å; L286-Y289 PolarHBondContact O-N 3.36Å; L286-Y289 VanDerWaalsContact O-N 3.12Å; L286-I290 HydrophobicContact CD1-CD1 4.19Å; L286-I290 HydrophobicContact CD1-CG1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.86Å; L286-I290 HydrophobicContact CG-CG1 4.48Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.38Å; L286-I290 PolarHBondContact O-N 3.37Å
287E97.4Very high96.8Very high124 Ų12498 Ų9858%0.57949%0.49SS*.Hα-helixtrans-58.5-39.3175.2-173.260.6-146.800111.4E283 I290 S291E283-E287 PolarHBondContact O-N 3.11Å; E287-I290 PolarHBondContact O-N 3.03Å; E287-S291 WeakPolarHBondContact O-CB 3.32Å; E287-S291 PolarHBondContact O-N 3.43Å
288K97.5Very high96.8Very high137 Ų13797.3 Ų97.360%0.59649%0.49SS*.Hα-helixtrans-61.9-49.5172.7-173.8-173.3173.2-1710111.7K284 S285 L286 I290 S291 D292K284-K288 PolarHBondContact O-N 2.64Å; K284-K288 VanDerWaalsContact O-N 3.16Å; S285-K288 WeakPolarHBondContact O-CB 3.41Å; S285-K288 PolarHBondContact O-N 2.88Å; L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 2.96Å; K288-I290 VanDerWaalsContact C-N 3.31Å; K288-I290 PolarHBondContact O-N 2.82Å; K288-S291 WeakPolarHBondContact O-CB 3.39Å; K288-S291 PolarHBondContact O-N 3.32Å; K288-S291 VanDerWaalsContact O-N 3.17Å; K288-D292 PolarHBondContact O-N 3.09Å
289Y97Very high96.9Very high154 Ų154100 Ų10060%0.60450%0.497SS*.Hα-helixtrans-62-37.5177.7-72.3-60.1000112.7S285 L286 D292 C293S285-Y289 WeakPolarHBondContact O-CD2 3.34Å; S285-Y289 PolarHBondContact O-N 2.94Å; L286-Y289 PolarHBondContact O-N 3.36Å; L286-Y289 VanDerWaalsContact O-N 3.12Å; Y289-D292 PolarHBondContact O-N 2.89Å; Y289-C293 WeakPolarHBondContact O-CB 3.48Å; Y289-C293 PolarHBondContact O-N 3.13Å; Y289-C293 PolarHBondContact O-SG 2.98Å
290I97.7Very high97.1Very high90 Ų90100.7 Ų100.746%0.46250%0.498SS..Hα-helixtrans-62.5-44.7173.9-71166.4000110.4L286 E287 K288 C293 R294L286-I290 HydrophobicContact CD1-CD1 4.19Å; L286-I290 HydrophobicContact CD1-CG1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.86Å; L286-I290 HydrophobicContact CG-CG1 4.48Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.38Å; L286-I290 PolarHBondContact O-N 3.37Å; E287-I290 PolarHBondContact O-N 3.03Å; K288-I290 VanDerWaalsContact C-N 3.31Å; K288-I290 PolarHBondContact O-N 2.82Å; I290-C293 PolarHBondContact O-N 3.45Å; I290-R294 WeakPolarHBondContact O-CB 3.3Å; I290-R294 PolarHBondContact O-N 3.19Å
291S97.8Very high97.2Very high40 Ų4099.7 Ų99.728%0.2850%0.498SS..Hα-helixtrans-60.9-46174.8-172.90000111.8E287 K288 R294 H295E287-S291 WeakPolarHBondContact O-CB 3.32Å; E287-S291 PolarHBondContact O-N 3.43Å; K288-S291 WeakPolarHBondContact O-CB 3.39Å; K288-S291 PolarHBondContact O-N 3.32Å; K288-S291 VanDerWaalsContact O-N 3.17Å; S291-R294 WeakPolarHBondContact O-CB 3.42Å; S291-R294 PolarHBondContact O-N 3.38Å; S291-H295 PolarHBondContact O-N 2.7Å; S291-H295 PolarHBondContact O-ND1 3.46Å; S291-H295 PolarHBondContact OG-CE1 2.82Å
292D97.8Very high97.3Very high80 Ų8097.7 Ų97.743%0.42850%0.495SS..Hα-helixtrans-63.9-42.5179.1-69.3-19.9000111.4K288 Y289 R294 H295 L296K288-D292 PolarHBondContact O-N 3.09Å; Y289-D292 PolarHBondContact O-N 2.89Å; D292-R294 VanDerWaalsContact C-N 3.34Å; D292-R294 PolarHBondContact O-N 2.94Å; D292-H295 PolarHBondContact O-N 2.96Å; D292-L296 PolarHBondContact O-N 3.42Å
293C97.2Very high97.4Very high84 Ų8499.8 Ų99.857%0.56850%0.498SS*.Hα-helixtrans-60.6-40.7172.6-69.60000112.3Y289 I290 L296 A297Y289-C293 WeakPolarHBondContact O-CB 3.48Å; Y289-C293 PolarHBondContact O-N 3.13Å; Y289-C293 PolarHBondContact O-SG 2.98Å; I290-C293 PolarHBondContact O-N 3.45Å; C293-L296 PolarHBondContact O-N 3.26Å; C293-A297 PolarHBondContact O-N 2.84Å
294R97.5Very high97.6Very high130 Ų13098.6 Ų98.649%0.49149%0.493SS..Hα-helixtrans-64.5-40.4176.3-169.3-172.965.171.910.7111.7I290 S291 D292 A297 M298I290-R294 WeakPolarHBondContact O-CB 3.3Å; I290-R294 PolarHBondContact O-N 3.19Å; S291-R294 WeakPolarHBondContact O-CB 3.42Å; S291-R294 PolarHBondContact O-N 3.38Å; D292-R294 VanDerWaalsContact C-N 3.34Å; D292-R294 PolarHBondContact O-N 2.94Å; R294-A297 PolarHBondContact O-N 3.16Å; R294-M298 PolarHBondContact NH1-SD 2.89Å; R294-M298 WeakPolarHBondContact O-CG 3.47Å; R294-M298 PolarHBondContact O-N 3Å
295H98Very high97.5Very high73 Ų7397.1 Ų97.134%0.33849%0.49SS..Hα-helixtrans-65.1-43.1173.9-70.5101.7000111.6S291 D292 A297 M298 Y299S291-H295 PolarHBondContact O-N 2.7Å; S291-H295 PolarHBondContact O-ND1 3.46Å; S291-H295 PolarHBondContact OG-CE1 2.82Å; D292-H295 PolarHBondContact O-N 2.96Å; H295-A297 VanDerWaalsContact C-N 3.34Å; H295-A297 PolarHBondContact O-N 2.94Å; H295-M298 WeakPolarHBondContact O-CB 3.18Å; H295-M298 PolarHBondContact O-N 3.49Å; H295-Y299 HydrophobicContact CB-CE2 4.36Å; H295-Y299 WeakPolarHBondContact O-CD2 3.38Å; H295-Y299 PolarHBondContact O-N 3.09Å
296L98Very high97.5Very high121 Ų12197.9 Ų97.963%0.63449%0.488SS*.Hα-helixtrans-60.1-43.3176.2-176.261.7000112D292 C293 M298 Y299 Q300D292-L296 PolarHBondContact O-N 3.42Å; C293-L296 PolarHBondContact O-N 3.26Å; L296-M298 PolarHBondContact O-N 2.92Å; L296-Y299 PolarHBondContact O-N 3.32Å; L296-Q300 PolarHBondContact O-N 3.28Å
297A97.5Very high97.6Very high49 Ų4997.9 Ų97.941%0.40549%0.488SS..Hα-helixtrans-61.2-41.7174.300000112.2C293 R294 H295 Y299 Q300 T301C293-A297 PolarHBondContact O-N 2.84Å; R294-A297 PolarHBondContact O-N 3.16Å; H295-A297 VanDerWaalsContact C-N 3.34Å; H295-A297 PolarHBondContact O-N 2.94Å; A297-Y299 PolarHBondContact O-N 2.98Å; A297-Q300 PolarHBondContact O-N 2.66Å; A297-T301 PolarHBondContact O-N 3.12Å; A297-T301 PolarHBondContact O-OG1 3Å; A297-T301 VanDerWaalsContact O-OG1 3.08Å
298M97.8Very high97.6Very high109 Ų10996.1 Ų96.154%0.53748%0.48SS..Hα-helixtrans-61.6-41.9173.6-72.2177.363.400112.4R294 H295 L296 T301 S302R294-M298 PolarHBondContact NH1-SD 2.89Å; R294-M298 WeakPolarHBondContact O-CG 3.47Å; R294-M298 PolarHBondContact O-N 3Å; H295-M298 WeakPolarHBondContact O-CB 3.18Å; H295-M298 PolarHBondContact O-N 3.49Å; L296-M298 PolarHBondContact O-N 2.92Å; M298-T301 PolarHBondContact O-N 2.97Å; M298-S302 WeakPolarHBondContact O-CB 3.45Å; M298-S302 PolarHBondContact O-N 2.86Å
299Y98Very high97.5Very high167 Ų16796 Ų9666%0.65548%0.476SS*.Hα-helixtrans-65.5-41.3175.7-73.5-59.4000112.3H295 L296 A297 S302 L303H295-Y299 HydrophobicContact CB-CE2 4.36Å; H295-Y299 WeakPolarHBondContact O-CD2 3.38Å; H295-Y299 PolarHBondContact O-N 3.09Å; L296-Y299 PolarHBondContact O-N 3.32Å; A297-Y299 PolarHBondContact O-N 2.98Å; Y299-S302 PolarHBondContact O-N 2.77Å; Y299-L303 WeakPolarHBondContact O-CB 3.14Å; Y299-L303 PolarHBondContact O-N 3.22Å
300Q97.8Very high97.6Very high112 Ų11295.1 Ų95.152%0.52347%0.472SS..Hα-helixtrans-58.2-52.4174179.5-177.8-22.400110.7L296 A297 S302 L303 E304L296-Q300 PolarHBondContact O-N 3.28Å; A297-Q300 PolarHBondContact O-N 2.66Å; Q300-S302 VanDerWaalsContact C-N 3.28Å; Q300-S302 PolarHBondContact O-N 3.13Å; Q300-L303 PolarHBondContact O-N 3.05Å; Q300-L303 VanDerWaalsContact O-N 3.12Å; Q300-E304 HydrophobicContact CG-CG 4.45Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.38Å; Q300-E304 PolarHBondContact NE2-OE1 2.95Å; Q300-E304 WeakPolarHBondContact O-CG 3.17Å; Q300-E304 PolarHBondContact O-N 2.71Å
301T97.6Very high97.5Very high74 Ų7495.7 Ų95.745%0.45447%0.471SS..Hα-helixtrans-60.7-36.5177.7-54.90000112A297 M298 N305A297-T301 PolarHBondContact O-N 3.12Å; A297-T301 PolarHBondContact O-OG1 3Å; A297-T301 VanDerWaalsContact O-OG1 3.08Å; M298-T301 PolarHBondContact O-N 2.97Å; T301-N305 WeakPolarHBondContact O-CB 3.28Å; T301-N305 PolarHBondContact O-N 3.44Å; T301-N305 PolarHBondContact O-ND2 3.18Å
302S98Very high97.5Very high59 Ų59101 Ų10141%0.41349%0.485SS..Hα-helixtrans-64.9-42.2174.9-1700000112.2M298 Y299 Q300 N305 E306M298-S302 WeakPolarHBondContact O-CB 3.45Å; M298-S302 PolarHBondContact O-N 2.86Å; Y299-S302 PolarHBondContact O-N 2.77Å; Q300-S302 VanDerWaalsContact C-N 3.28Å; Q300-S302 PolarHBondContact O-N 3.13Å; S302-N305 PolarHBondContact O-N 3.5Å; S302-E306 PolarHBondContact O-N 2.94Å
303L97.6Very high97.4Very high98 Ų98102 Ų10251%0.51349%0.489SS..Hα-helixtrans-69.8-39.5178.9-174.266.7000111.9Y299 Q300 N305 E306 L307Y299-L303 WeakPolarHBondContact O-CB 3.14Å; Y299-L303 PolarHBondContact O-N 3.22Å; Q300-L303 PolarHBondContact O-N 3.05Å; Q300-L303 VanDerWaalsContact O-N 3.12Å; L303-N305 VanDerWaalsContact C-N 3.33Å; L303-N305 PolarHBondContact O-N 3.2Å; L303-E306 WeakPolarHBondContact O-CB 3.38Å; L303-E306 PolarHBondContact O-N 2.85Å; L303-E306 VanDerWaalsContact O-N 3.15Å; L303-L307 HydrophobicContact CG-CD1 4.39Å; L303-L307 WeakPolarHBondContact O-CG 3.38Å; L303-L307 PolarHBondContact O-N 3.47Å
304E97.7Very high97.3Very high97 Ų97102.7 Ų102.745%0.45349%0.487SS..Hα-helixtrans-59.3-44.4171.8-73.5168.3179.900111Q300 E306 L307 E308Q300-E304 HydrophobicContact CG-CG 4.45Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.38Å; Q300-E304 PolarHBondContact NE2-OE1 2.95Å; Q300-E304 WeakPolarHBondContact O-CG 3.17Å; Q300-E304 PolarHBondContact O-N 2.71Å; E304-E306 VanDerWaalsContact C-N 3.31Å; E304-E306 PolarHBondContact O-N 3.46Å; E304-L307 PolarHBondContact O-N 3.27Å; E304-E308 WeakPolarHBondContact O-CB 3.46Å; E304-E308 PolarHBondContact O-N 2.94Å
305N96.9Very high97.1Very high85 Ų85100.3 Ų100.346%0.45548%0.481SS..Hα-helixtrans-64.1-31.6174-78.1-56000113.2T301 S302 L303 R309T301-N305 WeakPolarHBondContact O-CB 3.28Å; T301-N305 PolarHBondContact O-N 3.44Å; T301-N305 PolarHBondContact O-ND2 3.18Å; S302-N305 PolarHBondContact O-N 3.5Å; L303-N305 VanDerWaalsContact C-N 3.33Å; L303-N305 PolarHBondContact O-N 3.2Å; N305-R309 WeakPolarHBondContact O-CG 3.39Å; N305-R309 PolarHBondContact O-N 3.28Å; N305-R309 PolarHBondContact O-NH1 3.02Å
306E97.8Very high96.8Very high69 Ų69101 Ų10132%0.32249%0.487SS..Hα-helixtrans-70.2-46.6171.6-84.2-176.4-171.400112.3S302 L303 E304 E308 R309 Y310S302-E306 PolarHBondContact O-N 2.94Å; L303-E306 WeakPolarHBondContact O-CB 3.38Å; L303-E306 PolarHBondContact O-N 2.85Å; L303-E306 VanDerWaalsContact O-N 3.15Å; E304-E306 VanDerWaalsContact C-N 3.31Å; E304-E306 PolarHBondContact O-N 3.46Å; E306-E308 VanDerWaalsContact C-N 3.29Å; E306-E308 PolarHBondContact O-N 3.45Å; E306-R309 WeakPolarHBondContact O-CB 3.21Å; E306-R309 PolarHBondContact O-N 2.87Å; E306-R309 VanDerWaalsContact O-N 3.12Å; E306-R309 IonicContact OE1-NH2 2.85Å; E306-Y310 HydrophobicContact CB-CD2 4.41Å; E306-Y310 HydrophobicContact CB-CE2 4.06Å; E306-Y310 WeakPolarHBondContact O-CD2 3.35Å; E306-Y310 PolarHBondContact O-N 2.77Å
307L96.6Very high96.5Very high104 Ų10499.1 Ų99.155%0.54548%0.475SS..Hα-helixtrans-58.8-41.6176.8-71.8169.8000111.5L303 E304 Y310 K311L303-L307 HydrophobicContact CG-CD1 4.39Å; L303-L307 WeakPolarHBondContact O-CG 3.38Å; L303-L307 PolarHBondContact O-N 3.47Å; E304-L307 PolarHBondContact O-N 3.27Å; L307-Y310 PolarHBondContact O-N 2.93Å; L307-K311 VanDerWaalsContact O-CB 3.25Å; L307-K311 WeakPolarHBondContact O-CB 3.43Å; L307-K311 PolarHBondContact O-N 2.89Å
308E97.3Very high96.1Very high87 Ų87100.6 Ų100.641%0.40748%0.476SS..Hα-helixtrans-67.2-35.5176.1-170.757-15100112.2E304 E306 R312E304-E308 WeakPolarHBondContact O-CB 3.46Å; E304-E308 PolarHBondContact O-N 2.94Å; E306-E308 VanDerWaalsContact C-N 3.29Å; E306-E308 PolarHBondContact O-N 3.45Å; E308-R312 WeakPolarHBondContact O-CB 3.31Å; E308-R312 PolarHBondContact O-N 3Å
309R96.6Very high95.6Very high133 Ų13399.9 Ų99.950%0.50248%0.475SS..Hα-helixtrans-63.6-47.1170.6-75.8-171.2-60.3-90.320.4111.6N305 E306 R312 I313N305-R309 WeakPolarHBondContact O-CG 3.39Å; N305-R309 PolarHBondContact O-N 3.28Å; N305-R309 PolarHBondContact O-NH1 3.02Å; E306-R309 WeakPolarHBondContact O-CB 3.21Å; E306-R309 PolarHBondContact O-N 2.87Å; E306-R309 VanDerWaalsContact O-N 3.12Å; E306-R309 IonicContact OE1-NH2 2.85Å; R309-R312 PolarHBondContact O-N 3.31Å; R309-I313 WeakPolarHBondContact O-CG1 3.43Å; R309-I313 PolarHBondContact O-N 3.44Å
310Y97.7Very high95.2Very high137 Ų13799.4 Ų99.454%0.53747%0.472SS..Hα-helixtrans-63.4-42.5178-68-54.7000111.9E306 L307 R312 I313 I314E306-Y310 HydrophobicContact CB-CD2 4.41Å; E306-Y310 HydrophobicContact CB-CE2 4.06Å; E306-Y310 WeakPolarHBondContact O-CD2 3.35Å; E306-Y310 PolarHBondContact O-N 2.77Å; L307-Y310 PolarHBondContact O-N 2.93Å; Y310-R312 PolarHBondContact O-N 2.94Å; Y310-I313 PolarHBondContact O-N 3.3Å; Y310-I314 WeakPolarHBondContact O-CG1 3.29Å; Y310-I314 PolarHBondContact O-N 3.35Å
311K97Very high94.5Very high101 Ų10198.7 Ų98.744%0.43947%0.471SS..Hα-helixtrans-58.5-47.4175.8-179173.1172.9-76.20111.4L307 I313 I314 E315L307-K311 VanDerWaalsContact O-CB 3.25Å; L307-K311 WeakPolarHBondContact O-CB 3.43Å; L307-K311 PolarHBondContact O-N 2.89Å; K311-I313 VanDerWaalsContact C-N 3.33Å; K311-I313 PolarHBondContact O-N 3.41Å; K311-I314 PolarHBondContact O-N 2.87Å; K311-E315 VanDerWaalsContact CE-OE1 3.29Å; K311-E315 WeakPolarHBondContact CE-OE1 3.46Å; K311-E315 WeakPolarHBondContact CG-OE1 3.18Å; K311-E315 IonicContact NZ-OE1 3.8Å; K311-E315 PolarHBondContact NZ-OE1 2.84Å; K311-E315 WeakPolarHBondContact O-CG 3.38Å; K311-E315 PolarHBondContact O-N 3.1Å
312R96.3Very high93.6Very high151 Ų15199.2 Ų99.257%0.5747%0.471SS*.Hα-helixtrans-62-36.6175.4-172.2-179.6-59.1-148-1.2113.2E308 R309 Y310 N316E308-R312 WeakPolarHBondContact O-CB 3.31Å; E308-R312 PolarHBondContact O-N 3Å; R309-R312 PolarHBondContact O-N 3.31Å; Y310-R312 PolarHBondContact O-N 2.94Å; R312-N316 WeakPolarHBondContact O-CB 3.36Å; R312-N316 VanDerWaalsContact O-CG 3.26Å; R312-N316 PolarHBondContact O-N 3.5Å; R312-N316 PolarHBondContact O-ND2 2.88Å
313I96.3Very high92.6Very high101 Ų101100.2 Ų100.252%0.51848%0.478SS..Hα-helixtrans-64.3-45.6174.7-69.1164.1000110.1R309 Y310 K311 N316 E317R309-I313 WeakPolarHBondContact O-CG1 3.43Å; R309-I313 PolarHBondContact O-N 3.44Å; Y310-I313 PolarHBondContact O-N 3.3Å; K311-I313 VanDerWaalsContact C-N 3.33Å; K311-I313 PolarHBondContact O-N 3.41Å; I313-N316 PolarHBondContact O-N 3.34Å; I313-E317 WeakPolarHBondContact O-CG 3.42Å; I313-E317 PolarHBondContact O-N 3.37Å
314I94.6Very high91.3Very high100 Ų10097.6 Ų97.651%0.51347%0.471SS..Hα-helixtrans-62.3-49.3177.5-65.2163.1000110.7Y310 K311 N316 E317 D318Y310-I314 WeakPolarHBondContact O-CG1 3.29Å; Y310-I314 PolarHBondContact O-N 3.35Å; K311-I314 PolarHBondContact O-N 2.87Å; I314-N316 VanDerWaalsContact C-N 3.26Å; I314-N316 PolarHBondContact O-N 3.05Å; I314-E317 PolarHBondContact O-N 3.37Å; I314-E317 VanDerWaalsContact O-N 3.09Å; I314-D318 WeakPolarHBondContact O-CB 3.43Å; I314-D318 PolarHBondContact O-N 2.82Å
315E94.2Very high89.8Confident80 Ų8098.4 Ų98.437%0.37448%0.477SS..Hα-helixtrans-57.1-38.1177-72.8171-176.400112.2K311 N319K311-E315 VanDerWaalsContact CE-OE1 3.29Å; K311-E315 WeakPolarHBondContact CE-OE1 3.46Å; K311-E315 WeakPolarHBondContact CG-OE1 3.18Å; K311-E315 IonicContact NZ-OE1 3.8Å; K311-E315 PolarHBondContact NZ-OE1 2.84Å; K311-E315 WeakPolarHBondContact O-CG 3.38Å; K311-E315 PolarHBondContact O-N 3.1Å; E315-N319 VanDerWaalsContact O-CB 3.32Å; E315-N319 WeakPolarHBondContact O-CB 3.41Å; E315-N319 PolarHBondContact O-N 2.89Å; E315-N319 PolarHBondContact O-ND2 3.43Å
316N92.1Very high88.2Confident87 Ų87101.5 Ų101.547%0.46549%0.492SS..Hα-helixtrans-69.4-40.8175.1-76.5-36000112.9R312 I313 I314 N319 R320R312-N316 WeakPolarHBondContact O-CB 3.36Å; R312-N316 VanDerWaalsContact O-CG 3.26Å; R312-N316 PolarHBondContact O-N 3.5Å; R312-N316 PolarHBondContact O-ND2 2.88Å; I313-N316 PolarHBondContact O-N 3.34Å; I314-N316 VanDerWaalsContact C-N 3.26Å; I314-N316 PolarHBondContact O-N 3.05Å; N316-N319 PolarHBondContact O-N 3.33Å; N316-R320 WeakPolarHBondContact O-CG 3.43Å; N316-R320 PolarHBondContact O-N 3.39Å
317E91.4Very high86.4Confident82 Ų82101.3 Ų101.338%0.38351%0.508SS..Hα-helixtrans-66.8-42.3175.3-70.4-56.8112.800111.6I313 I314 N319 R320 L321I313-E317 WeakPolarHBondContact O-CG 3.42Å; I313-E317 PolarHBondContact O-N 3.37Å; I314-E317 PolarHBondContact O-N 3.37Å; I314-E317 VanDerWaalsContact O-N 3.09Å; E317-N319 VanDerWaalsContact C-N 3.34Å; E317-N319 PolarHBondContact O-N 2.59Å; E317-R320 WeakPolarHBondContact O-CB 3.3Å; E317-R320 PolarHBondContact O-N 2.97Å; E317-R320 VanDerWaalsContact O-N 3.16Å; E317-R320 IonicContact OE1-CZ 3.57Å; E317-R320 IonicContact OE1-NH1 2.63Å; E317-R320 PolarHBondContact OE1-NH1 2.89Å; E317-R320 IonicContact OE2-CZ 3.33Å; E317-R320 IonicContact OE2-NH1 3.5Å; E317-R320 PolarHBondContact OE2-NH1 3.31Å; E317-L321 WeakPolarHBondContact O-CB 3.43Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.27Å
318D88.4Confident84.3Confident79 Ų7999.4 Ų99.442%0.42250%0.501SS..Hα-helixtrans-59.9-43.9173.7-73.9-20000110.8I314 R320 L321 N322I314-D318 WeakPolarHBondContact O-CB 3.43Å; I314-D318 PolarHBondContact O-N 2.82Å; D318-R320 PolarHBondContact O-N 2.75Å; D318-L321 PolarHBondContact O-N 2.82Å; D318-N322 VanDerWaalsContact O-CB 3.28Å; D318-N322 WeakPolarHBondContact O-CB 3.34Å; D318-N322 PolarHBondContact O-N 2.88Å; D318-N322 PolarHBondContact O-ND2 2.85Å
319N87.8Confident82Confident94 Ų94100.1 Ų100.150%0.50351%0.513SS..Hα-helixtrans-62.8-38.8174.6-75-33.2000112.6E315 N316 E317 S323E315-N319 VanDerWaalsContact O-CB 3.32Å; E315-N319 WeakPolarHBondContact O-CB 3.41Å; E315-N319 PolarHBondContact O-N 2.89Å; E315-N319 PolarHBondContact O-ND2 3.43Å; N316-N319 PolarHBondContact O-N 3.33Å; E317-N319 VanDerWaalsContact C-N 3.34Å; E317-N319 PolarHBondContact O-N 2.59Å; N319-S323 VanDerWaalsContact O-CB 3.3Å; N319-S323 WeakPolarHBondContact O-CB 3.42Å; N319-S323 PolarHBondContact O-N 3Å; N319-S323 PolarHBondContact O-OG 2.94Å
320R88.5Confident79.8Confident157 Ų157101.1 Ų101.159%0.59253%0.527SS*.Hα-helixtrans-65-44.7173.8-75.5176.661.4-134.1-17.3111.8N316 E317 D318 S323 A324N316-R320 WeakPolarHBondContact O-CG 3.43Å; N316-R320 PolarHBondContact O-N 3.39Å; E317-R320 WeakPolarHBondContact O-CB 3.3Å; E317-R320 PolarHBondContact O-N 2.97Å; E317-R320 VanDerWaalsContact O-N 3.16Å; E317-R320 IonicContact OE1-CZ 3.57Å; E317-R320 IonicContact OE1-NH1 2.63Å; E317-R320 PolarHBondContact OE1-NH1 2.89Å; E317-R320 IonicContact OE2-CZ 3.33Å; E317-R320 IonicContact OE2-NH1 3.5Å; E317-R320 PolarHBondContact OE2-NH1 3.31Å; D318-R320 PolarHBondContact O-N 2.75Å; R320-S323 PolarHBondContact O-N 3.19Å; R320-A324 WeakPolarHBondContact O-CB 3.46Å; R320-A324 PolarHBondContact O-N 2.8Å
321L83.1Confident77.5Confident98 Ų98100.2 Ų100.251%0.51354%0.536SS..Hα-helixtrans-65-48178.2-72.3170.7000111.4E317 D318 S323 A324 I325E317-L321 WeakPolarHBondContact O-CB 3.43Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.27Å; D318-L321 PolarHBondContact O-N 2.82Å; L321-S323 VanDerWaalsContact C-N 3.3Å; L321-S323 PolarHBondContact O-N 3.38Å; L321-A324 PolarHBondContact O-N 2.9Å; L321-A324 VanDerWaalsContact O-N 3.13Å; L321-I325 WeakPolarHBondContact O-CD1 3.39Å; L321-I325 VanDerWaalsContact O-CG1 3.27Å; L321-I325 WeakPolarHBondContact O-CG1 3.4Å; L321-I325 PolarHBondContact O-N 2.98Å
322N79.8Confident75Confident84 Ų84102.4 Ų102.445%0.44955%0.551SS.*Hα-helixtrans-58.7-41.8175.6-72.5-36.4000111.4D318 I325 I326D318-N322 VanDerWaalsContact O-CB 3.28Å; D318-N322 WeakPolarHBondContact O-CB 3.34Å; D318-N322 PolarHBondContact O-N 2.88Å; D318-N322 PolarHBondContact O-ND2 2.85Å; N322-I325 PolarHBondContact O-N 3.12Å; N322-I326 WeakPolarHBondContact O-CB 3.26Å; N322-I326 WeakPolarHBondContact O-CD1 3.41Å; N322-I326 VanDerWaalsContact O-CG1 3.26Å; N322-I326 WeakPolarHBondContact O-CG1 3.47Å; N322-I326 PolarHBondContact O-N 3.39Å
323S76.8Confident72.5Confident81 Ų81103.3 Ų103.357%0.56656%0.56SS**Hα-helixtrans-64.3-39.6175.4-58.10000112.4N319 R320 L321 G327N319-S323 VanDerWaalsContact O-CB 3.3Å; N319-S323 WeakPolarHBondContact O-CB 3.42Å; N319-S323 PolarHBondContact O-N 3Å; N319-S323 PolarHBondContact O-OG 2.94Å; R320-S323 PolarHBondContact O-N 3.19Å; L321-S323 VanDerWaalsContact C-N 3.3Å; L321-S323 PolarHBondContact O-N 3.38Å; S323-G327 PolarHBondContact O-N 3.36Å
324A69.6Low69.7Low43 Ų43104 Ų10436%0.35557%0.569SS.*Hα-helixtrans-68.1-36.4176.200000112.6R320 L321 T328R320-A324 WeakPolarHBondContact O-CB 3.46Å; R320-A324 PolarHBondContact O-N 2.8Å; L321-A324 PolarHBondContact O-N 2.9Å; L321-A324 VanDerWaalsContact O-N 3.13Å; A324-T328 WeakPolarHBondContact O-CB 3.38Å; A324-T328 PolarHBondContact O-N 2.76Å; A324-T328 PolarHBondContact O-OG1 2.87Å
325I66.4Low67Low114 Ų114105.2 Ų105.259%0.58558%0.581SS**Hα-helixtrans-71.6-40.1177.8-68163.1000111.2L321 N322L321-I325 WeakPolarHBondContact O-CD1 3.39Å; L321-I325 VanDerWaalsContact O-CG1 3.27Å; L321-I325 WeakPolarHBondContact O-CG1 3.4Å; L321-I325 PolarHBondContact O-N 2.98Å; N322-I325 PolarHBondContact O-N 3.12Å
326I64.4Low64.1Low150 Ų150108.2 Ų108.277%0.76960%0.6SS**Hα-helixtrans-77.2-31.2179.8-66166.1000111.6N322N322-I326 WeakPolarHBondContact O-CB 3.26Å; N322-I326 WeakPolarHBondContact O-CD1 3.41Å; N322-I326 VanDerWaalsContact O-CG1 3.26Å; N322-I326 WeakPolarHBondContact O-CG1 3.47Å; N322-I326 PolarHBondContact O-N 3.39Å
327G59.3Low61.5Low64 Ų64115.2 Ų115.266%0.6662%0.621SS**Hα-helixtrans-85.5-9.4-177.300000116.4S323S323-G327 PolarHBondContact O-N 3.36Å
328T53.6Low58.6Low65 Ų65122 Ų12240%0.39964%0.643SS.*SBendtrans-133.9124.8-170.6-25.80000112.1A324A324-T328 WeakPolarHBondContact O-CB 3.38Å; A324-T328 PolarHBondContact O-N 2.76Å; A324-T328 PolarHBondContact O-OG1 2.87Å
329P48.6Very low56.2Low101 Ų101127.5 Ų127.566%0.65666%0.66SS**  trans-65.7143.7175.326.9-33.3000111.8T331P329-T331 VanDerWaalsContact C-N 3.27Å; P329-T331 PolarHBondContact O-N 2.87Å
330I50.3Low53.5Low155 Ų155128.9 Ų128.980%0.79567%0.672SS**THydrogen-bonded Turntrans-79.959-161.8-50168.6000112.2
331T49.1Very low50.9Low118 Ų118128.1 Ų128.172%0.72467%0.674SS**THydrogen-bonded Turntrans-136.9-1.9-179.455.90000116.3P329P329-T331 VanDerWaalsContact C-N 3.27Å; P329-T331 PolarHBondContact O-N 2.87Å
332L45.6Very low48.4Very low147 Ų147130 Ų13077%0.7769%0.69SS**  trans-133.850.6-175.2-68176.3000114.9
333F42.1Very low46.7Very low169 Ų169131.2 Ų131.274%0.74170%0.703SS**  trans-114.667.1165.2-74.6-69.4000112.1
334T38.5Very low44.4Very low117 Ų117133.3 Ų133.372%0.71872%0.716SS**  trans-132.3134.4161.556.60000111.1
335T37.1Very low42.6Very low125 Ų125135.2 Ų135.277%0.76773%0.732SS**  trans84.1143.8165.778.10000119.9
336N33.2Very low41Very low143 Ų143135.5 Ų135.577%0.76574%0.744SS**  trans77.794.6161-65.7-36.2000120.5R338N336-R338 PolarHBondContact O-N 3.39Å
337Y37.4Very low39.6Very low234 Ų234133.2 Ų133.292%0.91874%0.741SS**  trans-50.2119.8136-92.1-105.9000110.6
338R31Very low39.1Very low224 Ų224137.2 Ų137.285%0.84575%0.753SS**  trans-136.8126.5149.4-89.5-160.8177.5-176.51.6110.9N336N336-R338 PolarHBondContact O-N 3.39Å
339Y37.7Very low38.2Very low194 Ų194137.5 Ų137.576%0.76177%0.769SS**  trans-79.4120.6171.3-172.8-92.3000109.2H341Y339-H341 AromaticContact CE1-CD2 3.43Å; Y339-H341 VanDerWaalsContact CE1-CD2 3.43Å; Y339-H341 WeakPolarHBondContact CE1-CD2 3.25Å; Y339-H341 AromaticContact CE1-NE2 3.55Å; Y339-H341 AromaticContact CZ-CD2 3.84Å; Y339-H341 AromaticContact CZ-NE2 3.52Å; Y339-H341 PolarHBondContact OH-NE2 3.13Å
340T31.4Very low38.4Very low123 Ų123144.7 Ų144.776%0.75578%0.783SS**  trans-144.7128.6169.841.20000109.8
341H33.1Very low38Very low141 Ų141142.5 Ų142.565%0.65377%0.773SS**  trans-76.9-177.2170.5-85.4-93.8000111.8Y339Y339-H341 AromaticContact CE1-CD2 3.43Å; Y339-H341 VanDerWaalsContact CE1-CD2 3.43Å; Y339-H341 WeakPolarHBondContact CE1-CD2 3.25Å; Y339-H341 AromaticContact CE1-NE2 3.55Å; Y339-H341 AromaticContact CZ-CD2 3.84Å; Y339-H341 AromaticContact CZ-NE2 3.52Å; Y339-H341 PolarHBondContact OH-NE2 3.13Å
342T31.9Very low38.1Very low137 Ų137143 Ų14384%0.8477%0.77SS**  trans99.1153161.315.80000116.1
343P43.3Very low38.6Very low110 Ų110140.3 Ų140.371%0.71476%0.76SS**  -131.3173.8-115.240-21.6000116.1
344C28.9Very low38.9Very low125 Ų125137.3 Ų137.385%0.84575%0.748SS**  trans55.8116151.3-160.60000119.8
345A31.8Very low39.4Very low84 Ų84134.3 Ų134.369%0.69474%0.735SS**  175.3140.6106.500000114.1
346S33.5Very low40.2Very low119 Ų119133 Ų13383%0.83272%0.723SS**  trans59.1123.9162.965.70000118.4
347S34.5Very low41.3Very low103 Ų103131.9 Ų131.972%0.7271%0.713SS**  -152.6135.85950.40000114.6G349S347-G349 PolarHBondContact O-N 3.43Å
348T48.8Very low41.9Very low147 Ų147125 Ų12590%0.90269%0.692SS**  trans30.884146.356.80000119.2
349G35.2Very low43Very low72 Ų72120.1 Ų120.174%0.74268%0.681SS**  trans-122.4129.6153.500000109S347S347-G349 PolarHBondContact O-N 3.43Å
350R52.6Low43.9Very low251 Ų251116.1 Ų116.195%0.94768%0.677SS**  trans-70.2137-175-62.5175.8-153.1152.89.1110.6I352R350-I352 PolarHBondContact O-N 2.99Å
351D41.4Very low44.6Very low109 Ų109114.4 Ų114.458%0.58367%0.67SS**  trans-73115.6-173.2-160.2-27.9000111.5T353 Q354D351-T353 PolarHBondContact O-N 3.28Å; D351-T353 WeakPolarHBondContact OD1-CB 3.33Å; D351-T353 PolarHBondContact OD1-N 2.97Å; D351-T353 PolarHBondContact OD1-OG1 2.85Å; D351-Q354 PolarHBondContact O-N 3.36Å
352I50.5Low45.4Very low130 Ų130113.9 Ų113.967%0.66767%0.671SS**Hα-helixtrans-61.2-25.2178.2-73.3169.9000111.1R350 Q354 A355 I356R350-I352 PolarHBondContact O-N 2.99Å; I352-Q354 VanDerWaalsContact C-N 3.3Å; I352-Q354 PolarHBondContact O-N 3.16Å; I352-A355 PolarHBondContact O-N 2.81Å; I352-I356 HydrophobicContact CG2-CD1 3.78Å; I352-I356 HydrophobicContact CG2-CG1 4.37Å; I352-I356 WeakPolarHBondContact O-CG1 3.4Å; I352-I356 PolarHBondContact O-N 2.99Å; I352-I356 VanDerWaalsContact O-N 3.16Å
353T55.7Low45.9Very low90 Ų90116.4 Ų116.455%0.55267%0.67SS**Hα-helixtrans-61.2-38177.7-40.60000111.7D351 I356 Q357D351-T353 PolarHBondContact O-N 3.28Å; D351-T353 WeakPolarHBondContact OD1-CB 3.33Å; D351-T353 PolarHBondContact OD1-N 2.97Å; D351-T353 PolarHBondContact OD1-OG1 2.85Å; T353-I356 PolarHBondContact O-N 3.42Å; T353-Q357 PolarHBondContact O-N 2.88Å; T353-Q357 VanDerWaalsContact O-N 3.09Å
354Q49.9Very low45.7Very low106 Ų106117 Ų11750%0.49567%0.674SS.*Hα-helixtrans-67.4-41.2178.4-171.262.857.300111.7D351 I352 I356 Q357 D358D351-Q354 PolarHBondContact O-N 3.36Å; I352-Q354 VanDerWaalsContact C-N 3.3Å; I352-Q354 PolarHBondContact O-N 3.16Å; Q354-I356 VanDerWaalsContact C-N 3.31Å; Q354-I356 PolarHBondContact O-N 3.13Å; Q354-Q357 PolarHBondContact O-N 2.88Å; Q354-D358 PolarHBondContact NE2-OD1 3.18Å; Q354-D358 PolarHBondContact O-N 2.85Å
355A49.3Very low45.9Very low53 Ų53122.8 Ų122.844%0.43868%0.678SS.*Hα-helixtrans-65.5-34177.800000112.6I352 I359I352-A355 PolarHBondContact O-N 2.81Å; A355-I359 WeakPolarHBondContact O-CD1 3.44Å; A355-I359 VanDerWaalsContact O-CG1 3.29Å; A355-I359 WeakPolarHBondContact O-CG1 3.27Å; A355-I359 PolarHBondContact O-N 2.87Å
356I53.2Low46.3Very low99 Ų99126.9 Ų126.951%0.50868%0.683SS.*Hα-helixtrans-71.8-34.1175.7-66.7169.4000111I352 T353 Q354 I359 T360I352-I356 HydrophobicContact CG2-CD1 3.78Å; I352-I356 HydrophobicContact CG2-CG1 4.37Å; I352-I356 WeakPolarHBondContact O-CG1 3.4Å; I352-I356 PolarHBondContact O-N 2.99Å; I352-I356 VanDerWaalsContact O-N 3.16Å; T353-I356 PolarHBondContact O-N 3.42Å; Q354-I356 VanDerWaalsContact C-N 3.31Å; Q354-I356 PolarHBondContact O-N 3.13Å; I356-I359 PolarHBondContact O-N 3.15Å; I356-T360 PolarHBondContact O-N 2.67Å; I356-T360 VanDerWaalsContact O-N 3.11Å; I356-T360 PolarHBondContact O-OG1 3.28Å
357Q55.8Low46.4Very low119 Ų119130.8 Ų130.856%0.55669%0.685SS**Hα-helixtrans-70.8-35.5176.6-152.6163.616.500112.3T353 Q354 T360 S361T353-Q357 PolarHBondContact O-N 2.88Å; T353-Q357 VanDerWaalsContact O-N 3.09Å; Q354-Q357 PolarHBondContact O-N 2.88Å; Q357-T360 WeakPolarHBondContact CA-OG1 3.37Å; Q357-T360 PolarHBondContact O-N 2.91Å; Q357-T360 PolarHBondContact O-OG1 3.27Å; Q357-S361 PolarHBondContact O-N 3.14Å
358D49.8Very low46.4Very low90 Ų90132.4 Ų132.448%0.48168%0.684SS.*Hα-helixtrans-67.2-40.2173.7-66.7-13.5000111.7Q354 T360 S361Q354-D358 PolarHBondContact NE2-OD1 3.18Å; Q354-D358 PolarHBondContact O-N 2.85Å; D358-T360 PolarHBondContact O-N 2.99Å; D358-S361 PolarHBondContact O-N 3.42Å; D358-S361 PolarHBondContact O-OG 2.73Å
359I54.1Low45.5Very low121 Ų121133.6 Ų133.662%0.62168%0.684SS**Hα-helixtrans-65.3-38.7176.3-68.8164.8000111.9A355 I356 S361A355-I359 WeakPolarHBondContact O-CD1 3.44Å; A355-I359 VanDerWaalsContact O-CG1 3.29Å; A355-I359 WeakPolarHBondContact O-CG1 3.27Å; A355-I359 PolarHBondContact O-N 2.87Å; I356-I359 PolarHBondContact O-N 3.15Å; I359-S361 VanDerWaalsContact C-N 3.28Å; I359-S361 PolarHBondContact O-N 2.9Å
360T58.1Low45.4Very low109 Ų109135.7 Ų135.767%0.66968%0.682SS**Hα-helixtrans-77.2-10.3-178.743.90000114.2I356 Q357 D358I356-T360 PolarHBondContact O-N 2.67Å; I356-T360 VanDerWaalsContact O-N 3.11Å; I356-T360 PolarHBondContact O-OG1 3.28Å; Q357-T360 WeakPolarHBondContact CA-OG1 3.37Å; Q357-T360 PolarHBondContact O-N 2.91Å; Q357-T360 PolarHBondContact O-OG1 3.27Å; D358-T360 PolarHBondContact O-N 2.99Å
361S45.4Very low44.9Very low87 Ų87133.3 Ų133.361%0.60868%0.679SS**THydrogen-bonded Turntrans-87.5-8.3176.973.90000114.8Q357 D358 I359 K363Q357-S361 PolarHBondContact O-N 3.14Å; D358-S361 PolarHBondContact O-N 3.42Å; D358-S361 PolarHBondContact O-OG 2.73Å; I359-S361 VanDerWaalsContact C-N 3.28Å; I359-S361 PolarHBondContact O-N 2.9Å; S361-K363 PolarHBondContact O-N 2.8Å
362I50.4Low44.7Very low130 Ų130138 Ų13867%0.66769%0.694SS**  trans-77.5106.8-178.4-59.9175.1000110.5P364I362-P364 WeakPolarHBondContact O-CD 3.31Å
363K42Very low43.9Very low190 Ų190137.5 Ų137.583%0.82670%0.697SS**PPolyproline II helixtrans-70.8122.4175.7-78.8179.5175.2172.10112.3S361S361-K363 PolarHBondContact O-N 2.8Å
364P38.6Very low42.8Very low124 Ų124139.7 Ų139.781%0.80571%0.705SS**PPolyproline II helixtrans-75.3124162.730.7-31.4000109.9I362I362-P364 WeakPolarHBondContact O-CD 3.31Å
365R34.1Very low42Very low246 Ų246143.2 Ų143.293%0.92872%0.718SS**PPolyproline II helixtrans-93.8145171.2-103.2-177.8165.4174.8-4.3111.4
366Q40.4Very low41.2Very low169 Ų169149.6 Ų149.679%0.7974%0.736SS**PPolyproline II helixtrans-82155-163.4-57.9142.8-54.400114.6
367K34.3Very low40.1Very low202 Ų202153.7 Ų153.788%0.87875%0.75SS**  trans-17989.2134.3-99.5172.9-178.3-172.60107.5
368I34.7Very low38.7Very low136 Ų136155.6 Ų155.670%0.69776%0.759SS**  53103.391.1-55174000113.4
369L29.2Very low37.9Very low172 Ų172159.2 Ų159.290%0.90178%0.778SS**  -145.7140.6121.3-164.161.5000109.5
370T33.7Very low36.8Very low116 Ų116159.4 Ų159.471%0.71279%0.785SS**  trans-98.5132-161.846.30000113.9
371K42.1Very low36.3Very low201 Ų201159.7 Ų159.787%0.87479%0.788SS**  trans-88.7129.8148.2-78.6-176.6175.6179.70109.1
372K38.5Very low35.7Very low209 Ų209163.9 Ų163.991%0.90980%0.795SS**  trans-137157151.9-84.6-159175.4-175.50110.3
373V32.9Very low34.6Very low119 Ų119163.4 Ų163.472%0.72179%0.794SS**  trans-146.7147.5-152.2147.80000107.3
374L32.6Very low34Very low136 Ų136160.1 Ų160.171%0.71279%0.79SS**  trans89.7118.6168.9-63153.2000121.6
375K32.3Very low33.6Very low179 Ų179161.1 Ų161.178%0.77879%0.787SS**  77.8109124.5-74.1178.2-179.1170.10122.9
376K33.3Very low33.3Very low187 Ų187156.8 Ų156.881%0.81378%0.782SS**  75.7108.8111.2-158.3-176.3-170.3-177.30119.6
377K31Very low32.7Very low186 Ų186153.2 Ų153.281%0.80978%0.776SS**  -172.9162.1113.3-105.8-177.8174.9-172.40113.1
378E25.4Very low32.5Very low158 Ų158146.8 Ų146.874%0.73877%0.767SS**  trans-67.8153.8-178-56.7119.6115.600114
379L33.1Very low32.4Very low167 Ų167148.3 Ų148.387%0.87477%0.771SS**  -170168113-97.7162.6000112.1
380T30.1Very low32.4Very low125 Ų125147.6 Ų147.677%0.76776%0.763SS**  trans-85.1169.5-159.127.60000116
381P48.7Very low32.2Very low115 Ų115147.9 Ų147.975%0.74776%0.756SS**  trans-97.9171.6-162.139.7-37.6000114.2
382K32.8Very low31.7Very low174 Ų174147.2 Ų147.276%0.75775%0.748SS**  trans-175.6138.9132.9-105.8174.4165.3-95.10115
383D27.3Very low31Very low121 Ų121143.3 Ų143.365%0.64774%0.738SS**  trans64.8129.5131.4-61.7-10.7000124
384V29.4Very low30.6Very low121 Ų121143 Ų14373%0.73374%0.736SS**  trans106.9104.6133.6163.70000120.5
385I29.4Very low30.5Very low144 Ų144139.6 Ų139.674%0.73873%0.734SS**  trans27.4119.4130.6-25.2165.2000117.5
386D28.5Very low30.3Very low155 Ų155139.9 Ų139.983%0.82974%0.738SS**  -152.1179.2118.2-150.2-4000111.5
387S28Very low30Very low95 Ų95134.4 Ų134.466%0.66474%0.735SS**  trans-134.9160.7-141.9-33.40000111.8
388G30.2Very low29.9Very low66 Ų66132.5 Ų132.568%0.6873%0.733SS**  trans111.5129.5138.900000118.6
389Q31.2Very low30.1Very low169 Ų169131.8 Ų131.879%0.7973%0.734SS**  trans72118.8140.6-71.9-171.1-84.600117.7
390E29.5Very low30.2Very low156 Ų156132 Ų13273%0.72973%0.731SS**  69.1138.181.3-72.2-178.2161.100111.2
391E30.3Very low30.2Very low123 Ų123133 Ų13358%0.57573%0.727SS**  cis-149.3171.222.2-109.6-136146.800111.1
392R31Very low29.4Very low186 Ų186133.4 Ų133.470%0.70273%0.733SS**  trans11.2150.8132.3-65.7-174-177.1130.86.4119
393N24.7Very low29.1Very low128 Ų128131.8 Ų131.868%0.68473%0.732SS**  cis-172.816418.6-124.25.1000112.7
394T24.8Very low29.1Very low113 Ų113130.5 Ų130.569%0.69374%0.738SS**  trans56.9145.1135.4-46.90000122.7E396T394-E396 HydrophobicContact CG2-CG 4.22Å
395G29.2Very low29.1Very low64 Ų64130.9 Ų130.966%0.6674%0.741SS**  trans139.267.8162.900000111.3
396E27.4Very low29.1Very low184 Ų184128.6 Ų128.686%0.8674%0.737SS**  72.1133.288-71.5-176.9160.600113.8T394T394-E396 HydrophobicContact CG2-CG 4.22Å
397G28.8Very low29Very low73 Ų73126.9 Ų126.975%0.75374%0.738SS**  trans16555.9-173.900000113.6
398D28.1Very low28.9Very low145 Ų145125.8 Ų125.878%0.77574%0.741SS**  trans-61.5170.5163.4-47-53000110
399D30.6Very low28.8Very low143 Ų143131.7 Ų131.777%0.76575%0.751SS**  cis-164.1-174.810.9-145.1-26000110.8
400E33.3Very low28.7Very low171 Ų171129.6 Ų129.680%0.79975%0.749SS**  trans68.1152158.4-72.3-169.7-169.300120.1
401E31.7Very low28.6Very low148 Ų148130.9 Ų130.969%0.69276%0.755SS**  cis-167.4148.9-36.3-153.9-166.3175.400107.4
402S30.6Very low28.5Very low123 Ų123128.9 Ų128.986%0.8676%0.76SS**  trans167.4137.8132.6450000113.4
403N26.8Very low28.3Very low140 Ų140128.4 Ų128.475%0.74977%0.766SS**  trans-100.3151-169-84.3-68.2000115
404A26.9Very low28.4Very low93 Ų93132.9 Ų132.977%0.76977%0.773SS**  trans-173107.914100000108.9
405V30.1Very low28.4Very low130 Ų130132.6 Ų132.679%0.78877%0.771SS**  61.912368.3-1780000112.5
406S28.8Very low28.4Very low96 Ų96137 Ų13767%0.67177%0.772SS**  cis-167.4-176.6-12.263.90000111.4
407S27.6Very low28.4Very low119 Ų119134 Ų13483%0.83276%0.758SS**  trans81.5131.2157.1-48.80000117.9
408G25.7Very low28.4Very low71 Ų71138 Ų13873%0.73276%0.757SS**  cis-170.9171.2-2.800000113.9
409E28.4Very low28.3Very low190 Ų190136.9 Ų136.989%0.88875%0.751SS**  trans15.5142.3155.4-47.4-176.7137.200119.4
410V27.9Very low28.2Very low126 Ų126138.4 Ų138.476%0.76475%0.753SS**  cis-154.1153.249.6171.40000112.1
411Q27.8Very low27.9Very low183 Ų183133.5 Ų133.586%0.85575%0.749SS**  trans-25.6159.9157.8-67.8159.88.900117
412A29.1Very low27.6Very low81 Ų81131.3 Ų131.367%0.66976%0.756SS**  cis-150.3133.238.900000111.5
413E25.7Very low27.7Very low176 Ų176131.5 Ų131.582%0.82275%0.752SS**  85.391.492.2-158.7173.3-160.400111.6
414R27.3Very low27.9Very low221 Ų221132.4 Ų132.483%0.83476%0.756SS**  79.7136.986.4-101.9-169.7166.9-158.2-1114.5
415V24.3Very low28.1Very low108 Ų108134.5 Ų134.566%0.65576%0.759SS**  trans84.4127.6134.2159.60000115.8
416K29.6Very low28.1Very low156 Ų156131.8 Ų131.868%0.67876%0.758SS**  cis-161.3166.89.6-125.7176.9-165.4-143.20113.7
417Q27.5Very low28.2Very low120 Ų120133.4 Ų133.456%0.56176%0.764SS**  trans18.2144.7133.6-72.8171.5-76.300118.2
418E27.8Very low28.4Very low159 Ų159132.7 Ų132.774%0.74376%0.759SS**  cis-173171.518.8-109151.117500105.4
419D27.1Very low29.1Very low121 Ų121141.2 Ų141.265%0.64777%0.768SS**  cis-178.9171.1-21.2173.235.7000106.3
420Q28.2Very low30.2Very low174 Ų174139.7 Ų139.781%0.81376%0.762SS**  trans73132.7167.8-42.817915.500116.9
421G26.8Very low31.4Very low69 Ų69141 Ų14171%0.71176%0.764SS**  cis175.4-179.9-5.200000113.2
422A26.3Very low32.4Very low102 Ų102139 Ų13984%0.84376%0.764SS**  trans70.2148.5173.400000118.5
423V31.5Very low33.9Very low127 Ų127139.4 Ų139.477%0.7776%0.76SS**  cis-171.4146.8-39.4123.10000107.6
424L31.9Very low35.8Very low159 Ų159135 Ų13583%0.83274%0.742SS**  trans65.6112.4175.3-64166.6000119.9
425T30.4Very low37.6Very low136 Ų136126.5 Ų126.583%0.83472%0.724SS**  -165.7125105.9-72.20000108.7
426G30.2Very low39.6Very low74 Ų74124.5 Ų124.576%0.76372%0.718SS**  trans-94.6125.6177.900000112.2
427V32Very low41.5Very low130 Ų130123.3 Ų123.379%0.78872%0.715SS**  trans-138.4135.7156.5-179.20000108.1R429V427-R429 PolarHBondContact O-N 2.9Å
428S30.1Very low43.5Very low104 Ų104122.4 Ų122.473%0.72771%0.713SS**  trans-61.6127.5-178.347.40000113Q430S428-Q430 VanDerWaalsContact C-N 3.3Å; S428-Q430 PolarHBondContact O-N 2.87Å
429R40.8Very low45.8Very low249 Ų249118.1 Ų118.194%0.9470%0.701SS**  trans-80.475.2167.4-76.7-173.3170.1-178.5-2.5111V427V427-R429 PolarHBondContact O-N 2.9Å
430Q52.5Low48.5Very low159 Ų159119.6 Ų119.674%0.74370%0.701SS**  trans-143.780.1167.7-164.370.145.300109.4S428S428-Q430 VanDerWaalsContact C-N 3.3Å; S428-Q430 PolarHBondContact O-N 2.87Å
431D53.6Low50.8Low153 Ų153114.2 Ų114.282%0.81869%0.687SS**  trans170.365.8153.4-89.9-14000109.3
432V48.8Very low53.3Low140 Ų140117.1 Ų117.185%0.84868%0.68SS**  trans-103.3107.8156.9-179.90000105.7D434V432-D434 PolarHBondContact O-N 2.88Å
433P59.2Low55.8Low91 Ų91116.7 Ų116.759%0.59166%0.664SS**  trans-58.2132.5176.4-24.334.8000109.9G435 I438P433-G435 PolarHBondContact O-N 3.26Å; P433-I438 HydrophobicContact CB-CD1 3.98Å
434D65.1Low58.3Low82 Ų82114.1 Ų114.144%0.43965%0.648SS.*  trans-57.1110-177.3178.32.2000110.6V432 A436 Q437 I438V432-D434 PolarHBondContact O-N 2.88Å; D434-A436 PolarHBondContact O-N 2.61Å; D434-A436 VanDerWaalsContact O-N 3.15Å; D434-A436 WeakPolarHBondContact OD1-CB 3.31Å; D434-A436 PolarHBondContact OD1-N 3.18Å; D434-Q437 HydrophobicContact CB-CB 4.21Å; D434-Q437 HydrophobicContact CB-CG 4.05Å; D434-Q437 WeakPolarHBondContact O-CA 3.4Å; D434-Q437 WeakPolarHBondContact O-CB 3.37Å; D434-Q437 PolarHBondContact O-N 2.73Å; D434-Q437 WeakPolarHBondContact OD2-CG 3.46Å; D434-Q437 PolarHBondContact OD2-NE2 3.21Å; D434-I438 PolarHBondContact O-N 3.27Å; D434-I438 VanDerWaalsContact O-N 3.13Å
435G65.7Low60.5Low44 Ų44111.2 Ų111.245%0.45463%0.633SS.*Hα-helixtrans-57.5-29.9-178.500000112.6P433 I438 S439P433-G435 PolarHBondContact O-N 3.26Å; G435-I438 PolarHBondContact O-N 3.3Å; G435-S439 WeakPolarHBondContact O-CB 3.46Å; G435-S439 PolarHBondContact O-N 3.14Å; G435-S439 PolarHBondContact O-OG 3Å; G435-S439 VanDerWaalsContact O-OG 3.05Å
436A67.5Low62.5Low65 Ų65106.7 Ų106.754%0.53761%0.607SS.*Hα-helixtrans-68.4-34.2175.500000112.2D434 K440D434-A436 PolarHBondContact O-N 2.61Å; D434-A436 VanDerWaalsContact O-N 3.15Å; D434-A436 WeakPolarHBondContact OD1-CB 3.31Å; D434-A436 PolarHBondContact OD1-N 3.18Å; A436-K440 VanDerWaalsContact O-CB 3.23Å; A436-K440 WeakPolarHBondContact O-CB 3.38Å; A436-K440 PolarHBondContact O-N 2.72Å
437Q68.9Low65Low131 Ų131106.6 Ų106.661%0.61259%0.589SS**Hα-helixtrans-72.3-37.6174.8-69.617553.800111.7D434 K440 A441D434-Q437 HydrophobicContact CB-CB 4.21Å; D434-Q437 HydrophobicContact CB-CG 4.05Å; D434-Q437 WeakPolarHBondContact O-CA 3.4Å; D434-Q437 WeakPolarHBondContact O-CB 3.37Å; D434-Q437 PolarHBondContact O-N 2.73Å; D434-Q437 WeakPolarHBondContact OD2-CG 3.46Å; D434-Q437 PolarHBondContact OD2-NE2 3.21Å; Q437-K440 PolarHBondContact O-N 3.41Å; Q437-A441 WeakPolarHBondContact O-CB 3.29Å; Q437-A441 PolarHBondContact O-N 3.48Å
438I70.1Confident67.4Low102 Ų102104.3 Ų104.352%0.52357%0.571SS.*Hα-helixtrans-63.2-49.7173-64.4175.5000110.4P433 D434 G435 K440 A441 F442P433-I438 HydrophobicContact CB-CD1 3.98Å; D434-I438 PolarHBondContact O-N 3.27Å; D434-I438 VanDerWaalsContact O-N 3.13Å; G435-I438 PolarHBondContact O-N 3.3Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.49Å; I438-A441 PolarHBondContact O-N 2.93Å; I438-F442 WeakPolarHBondContact O-CB 3.45Å; I438-F442 PolarHBondContact O-N 3.47Å
439S76.2Confident69.5Low69 Ų69102.9 Ų102.948%0.48356%0.558SS.*Hα-helixtrans-57.5-46176.7-62.80000111.5G435 A441 F442 D443G435-S439 WeakPolarHBondContact O-CB 3.46Å; G435-S439 PolarHBondContact O-N 3.14Å; G435-S439 PolarHBondContact O-OG 3Å; G435-S439 VanDerWaalsContact O-OG 3.05Å; S439-A441 VanDerWaalsContact C-N 3.35Å; S439-A441 PolarHBondContact O-N 2.86Å; S439-F442 WeakPolarHBondContact O-CB 3.4Å; S439-F442 PolarHBondContact O-N 3.07Å; S439-F442 VanDerWaalsContact O-N 3.17Å; S439-D443 PolarHBondContact O-N 3.31Å
440K82.8Confident71.2Confident151 Ų15196.9 Ų96.966%0.65754%0.535SS*.Hα-helixtrans-63.1-37.9177.5-169.3173.4-174.9175.80112.9A436 Q437 I438 T444A436-K440 VanDerWaalsContact O-CB 3.23Å; A436-K440 WeakPolarHBondContact O-CB 3.38Å; A436-K440 PolarHBondContact O-N 2.72Å; Q437-K440 PolarHBondContact O-N 3.41Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.49Å; K440-T444 WeakPolarHBondContact O-CB 3.4Å; K440-T444 PolarHBondContact O-N 3.05Å; K440-T444 PolarHBondContact O-OG1 3.3Å
441A77.1Confident72.1Confident62 Ų6293.9 Ų93.951%0.51252%0.524SS..Hα-helixtrans-66.6-40.417400000111.8Q437 I438 S439 T444 L445Q437-A441 WeakPolarHBondContact O-CB 3.29Å; Q437-A441 PolarHBondContact O-N 3.48Å; I438-A441 PolarHBondContact O-N 2.93Å; S439-A441 VanDerWaalsContact C-N 3.35Å; S439-A441 PolarHBondContact O-N 2.86Å; A441-T444 PolarHBondContact O-N 2.69Å; A441-L445 PolarHBondContact O-N 2.83Å
442F78.6Confident73Confident129 Ų12995 Ų9557%0.56652%0.517SS*.Hα-helixtrans-64.7-46.9175.9-170.5-95.9000112I438 S439 T444 L445 C446I438-F442 WeakPolarHBondContact O-CB 3.45Å; I438-F442 PolarHBondContact O-N 3.47Å; S439-F442 WeakPolarHBondContact O-CB 3.4Å; S439-F442 PolarHBondContact O-N 3.07Å; S439-F442 VanDerWaalsContact O-N 3.17Å; F442-T444 VanDerWaalsContact C-N 3.29Å; F442-T444 PolarHBondContact O-N 3.16Å; F442-L445 WeakPolarHBondContact O-CB 3.28Å; F442-L445 PolarHBondContact O-N 2.74Å; F442-L445 VanDerWaalsContact O-N 3.12Å; F442-C446 VanDerWaalsContact CE1-SG 3.54Å; F442-C446 PolarHBondContact O-N 3.46Å; F442-C446 PolarHBondContact O-SG 3.44Å
443D79.5Confident73.4Confident94 Ų9495 Ų9550%0.50351%0.509SS..Hα-helixtrans-58.5-41.4174.1-74-34.4000111.8S439 C446 N447S439-D443 PolarHBondContact O-N 3.31Å; D443-C446 PolarHBondContact O-N 2.86Å; D443-N447 WeakPolarHBondContact O-CB 3.41Å; D443-N447 PolarHBondContact O-N 3.13Å; D443-N447 PolarHBondContact O-ND2 3.19Å; D443-N447 VanDerWaalsContact O-ND2 3.12Å
444T83.2Confident73.6Confident72 Ų7298.8 Ų98.844%0.44251%0.512SS..Hα-helixtrans-63.5-41.7176.5-52.50000111.1K440 A441 F442 N447 I448K440-T444 WeakPolarHBondContact O-CB 3.4Å; K440-T444 PolarHBondContact O-N 3.05Å; K440-T444 PolarHBondContact O-OG1 3.3Å; A441-T444 PolarHBondContact O-N 2.69Å; F442-T444 VanDerWaalsContact C-N 3.29Å; F442-T444 PolarHBondContact O-N 3.16Å; T444-N447 PolarHBondContact O-N 3.44Å; T444-I448 HydrophobicContact CG2-CD1 4.15Å; T444-I448 VanDerWaalsContact O-CG1 3.29Å; T444-I448 WeakPolarHBondContact O-CG1 3.35Å; T444-I448 PolarHBondContact O-N 3.06Å
445L79.4Confident73Confident99 Ų99103.6 Ų103.652%0.51853%0.529SS..Hα-helixtrans-64.1-46.5174.7-178.763.7000111.7A441 F442 N447 I448 V449A441-L445 PolarHBondContact O-N 2.83Å; F442-L445 WeakPolarHBondContact O-CB 3.28Å; F442-L445 PolarHBondContact O-N 2.74Å; F442-L445 VanDerWaalsContact O-N 3.12Å; L445-N447 VanDerWaalsContact C-N 3.29Å; L445-N447 PolarHBondContact O-N 2.93Å; L445-I448 PolarHBondContact O-N 2.92Å; L445-V449 WeakPolarHBondContact O-CG2 3.24Å; L445-V449 PolarHBondContact O-N 3.2Å
446C71.6Confident72.1Confident41 Ų41111.3 Ų111.328%0.27755%0.546SS..Hα-helixtrans-59.3-38.9175.3-72.20000112.2F442 D443 R450F442-C446 VanDerWaalsContact CE1-SG 3.54Å; F442-C446 PolarHBondContact O-N 3.46Å; F442-C446 PolarHBondContact O-SG 3.44Å; D443-C446 PolarHBondContact O-N 2.86Å; C446-R450 VanDerWaalsContact O-CB 3.26Å; C446-R450 WeakPolarHBondContact O-CB 3.21Å; C446-R450 PolarHBondContact O-N 3.45Å
447N82.8Confident70.8Confident72 Ų72115.9 Ų115.939%0.38556%0.556SS.*Hα-helixtrans-66.1-44.5174.5-69.2-27.6000111.7D443 T444 L445 V449 R450 D451D443-N447 WeakPolarHBondContact O-CB 3.41Å; D443-N447 PolarHBondContact O-N 3.13Å; D443-N447 PolarHBondContact O-ND2 3.19Å; D443-N447 VanDerWaalsContact O-ND2 3.12Å; T444-N447 PolarHBondContact O-N 3.44Å; L445-N447 VanDerWaalsContact C-N 3.29Å; L445-N447 PolarHBondContact O-N 2.93Å; N447-V449 PolarHBondContact O-N 3.02Å; N447-R450 PolarHBondContact O-N 2.85Å; N447-R450 PolarHBondContact OD1-NH1 3.31Å; N447-D451 WeakPolarHBondContact O-CB 3.1Å; N447-D451 PolarHBondContact O-N 3.48Å
448I81.9Confident69.4Low81 Ų81120.1 Ų120.142%0.41557%0.566SS.*Hα-helixtrans-61.9-41.5176.3-69.5163.4000111.6T444 L445 R452T444-I448 HydrophobicContact CG2-CD1 4.15Å; T444-I448 VanDerWaalsContact O-CG1 3.29Å; T444-I448 WeakPolarHBondContact O-CG1 3.35Å; T444-I448 PolarHBondContact O-N 3.06Å; L445-I448 PolarHBondContact O-N 2.92Å; I448-R452 WeakPolarHBondContact O-CB 3.5Å; I448-R452 WeakPolarHBondContact O-CG 3.34Å; I448-R452 PolarHBondContact O-N 2.67Å
449V74.6Confident68.1Low74 Ų74120.9 Ų120.945%0.44858%0.578SS.*Hα-helixtrans-64.7-45.9175.7172.40000110.4L445 N447 D451 R452 M453L445-V449 WeakPolarHBondContact O-CG2 3.24Å; L445-V449 PolarHBondContact O-N 3.2Å; N447-V449 PolarHBondContact O-N 3.02Å; V449-D451 VanDerWaalsContact C-N 3.35Å; V449-D451 PolarHBondContact O-N 2.81Å; V449-R452 PolarHBondContact O-N 2.91Å; V449-M453 HydrophobicContact CG1-SD 4.03Å; V449-M453 WeakPolarHBondContact O-CG 3.25Å; V449-M453 PolarHBondContact O-N 2.93Å
450R76Confident66.4Low123 Ų123126.1 Ų126.146%0.46460%0.595SS.*Hα-helixtrans-61.5-40178.1-161.7-174.5-57.3125.33.9112.5C446 N447 M453 R454C446-R450 VanDerWaalsContact O-CB 3.26Å; C446-R450 WeakPolarHBondContact O-CB 3.21Å; C446-R450 PolarHBondContact O-N 3.45Å; N447-R450 PolarHBondContact O-N 2.85Å; N447-R450 PolarHBondContact OD1-NH1 3.31Å; R450-M453 PolarHBondContact O-N 3.42Å; R450-R454 WeakPolarHBondContact O-CG 3.36Å; R450-R454 PolarHBondContact O-N 2.92Å
451D72.5Confident64.5Low97 Ų97124.3 Ų124.352%0.51960%0.598SS.*Hα-helixtrans-72.1-36.1176.6-83.6-0.5000112.8N447 V449 M453 R454 K455N447-D451 WeakPolarHBondContact O-CB 3.1Å; N447-D451 PolarHBondContact O-N 3.48Å; V449-D451 VanDerWaalsContact C-N 3.35Å; V449-D451 PolarHBondContact O-N 2.81Å; D451-M453 VanDerWaalsContact C-N 3.35Å; D451-R454 PolarHBondContact O-N 2.95Å; D451-K455 WeakPolarHBondContact O-CB 3.39Å; D451-K455 WeakPolarHBondContact O-CG 3.28Å; D451-K455 PolarHBondContact O-N 3.32Å
452R72.4Confident63Low177 Ų177128.7 Ų128.767%0.66861%0.612SS**Hα-helixtrans-64.3-40.5170.8-76.8-179.6179.5-161.61.1111.4I448 V449 K455 Y456I448-R452 WeakPolarHBondContact O-CB 3.5Å; I448-R452 WeakPolarHBondContact O-CG 3.34Å; I448-R452 PolarHBondContact O-N 2.67Å; V449-R452 PolarHBondContact O-N 2.91Å; R452-K455 PolarHBondContact O-N 2.79Å; R452-Y456 WeakPolarHBondContact O-CD2 3.5Å; R452-Y456 PolarHBondContact O-N 3.45Å
453M57Low61.1Low139 Ų139126.9 Ų126.969%0.68562%0.62SS**Hα-helixtrans-64.7-41.6174.7-70.2176.173.700112.1V449 R450 D451 K455 Y456V449-M453 HydrophobicContact CG1-SD 4.03Å; V449-M453 WeakPolarHBondContact O-CG 3.25Å; V449-M453 PolarHBondContact O-N 2.93Å; R450-M453 PolarHBondContact O-N 3.42Å; D451-M453 VanDerWaalsContact C-N 3.35Å; M453-K455 VanDerWaalsContact C-N 3.31Å; M453-K455 PolarHBondContact O-N 3.39Å; M453-Y456 PolarHBondContact O-N 3.4Å
454R63.5Low59Low171 Ų171129 Ų12965%0.64563%0.632SS**Hα-helixtrans-64.6-30.8173.5-74.3-179.7-172.9-115.82.1113.5R450 D451 Y456 Q457R450-R454 WeakPolarHBondContact O-CG 3.36Å; R450-R454 PolarHBondContact O-N 2.92Å; D451-R454 PolarHBondContact O-N 2.95Å; R454-Y456 VanDerWaalsContact C-N 3.27Å; R454-Y456 PolarHBondContact O-N 3.5Å; R454-Q457 PolarHBondContact O-N 2.83Å
455K52.4Low57Low182 Ų182134.1 Ų134.179%0.79165%0.648SS**THydrogen-bonded Turntrans-75.6-9177.9-80.2-178.8176.3177.80114.8D451 R452 M453D451-K455 WeakPolarHBondContact O-CB 3.39Å; D451-K455 WeakPolarHBondContact O-CG 3.28Å; D451-K455 PolarHBondContact O-N 3.32Å; R452-K455 PolarHBondContact O-N 2.79Å; M453-K455 VanDerWaalsContact C-N 3.31Å; M453-K455 PolarHBondContact O-N 3.39Å
456Y45.6Very low55.2Low206 Ų206140.5 Ų140.581%0.80867%0.667SS**THydrogen-bonded Turntrans-104.731.1172.5-80.1-78.6000113.2R452 M453 R454 R458R452-Y456 WeakPolarHBondContact O-CD2 3.5Å; R452-Y456 PolarHBondContact O-N 3.45Å; M453-Y456 PolarHBondContact O-N 3.4Å; R454-Y456 VanDerWaalsContact C-N 3.27Å; R454-Y456 PolarHBondContact O-N 3.5Å; Y456-R458 PolarHBondContact O-N 3.36Å
457Q40.9Very low53.6Low162 Ų162145.2 Ų145.276%0.75770%0.695SS**  trans-68.485.7163.8-142.498.742.400109.1R454R454-Q457 PolarHBondContact O-N 2.83Å
458R38.8Very low51.6Low219 Ų219152.4 Ų152.483%0.82672%0.722SS**PPolyproline II helixtrans-54126.5169.9-174.3-179-169168.83.1107.7Y456 E460Y456-R458 PolarHBondContact O-N 3.36Å; R458-E460 PolarHBondContact O-N 3.12Å
459P43.1Very low49.5Very low118 Ų118151.5 Ų151.577%0.76673%0.733SS**PPolyproline II helixtrans-60.6125.2174.524.7-32.1000108.2
460E41.3Very low47.7Very low179 Ų179159.4 Ų159.484%0.83676%0.755SS**PPolyproline II helixtrans-61.5136.5178.3-70.3-176.2138.300109.4R458 I462R458-E460 PolarHBondContact O-N 3.12Å; E460-I462 PolarHBondContact O-N 2.95Å
461P42.6Very low45.8Very low113 Ų113164.9 Ų164.973%0.73478%0.777SS**PPolyproline II helixtrans-62131.3169.127.7-32.3000108.2A463P461-A463 PolarHBondContact O-N 3.27Å
462I45.8Very low44.1Very low155 Ų155165.9 Ų165.980%0.79579%0.787SS**  trans-55.1113.7174.4-64.5169.1000107.3E460 D464E460-I462 PolarHBondContact O-N 2.95Å; I462-D464 PolarHBondContact O-N 3.38Å
463A37.1Very low42.4Very low90 Ų90164.8 Ų164.874%0.74479%0.793SS**  trans-72.895.4179.300000108.8P461 F465P461-A463 PolarHBondContact O-N 3.27Å; A463-F465 PolarHBondContact O-N 2.92Å; A463-F465 VanDerWaalsContact O-N 3.13Å
464D35.7Very low41.4Very low138 Ų138164.1 Ų164.174%0.73880%0.797SS**  trans-55.8119.5169.2-83.1-37000109.5I462 Y466I462-D464 PolarHBondContact O-N 3.38Å; D464-Y466 PolarHBondContact O-N 2.9Å
465F41.1Very low40.4Very low180 Ų180162 Ų16279%0.78980%0.803SS**SBendtrans4.296.2160.9-60.9-97.8000116A463A463-F465 PolarHBondContact O-N 2.92Å; A463-F465 VanDerWaalsContact O-N 3.13Å
466Y43Very low39.4Very low234 Ų234156.5 Ų156.592%0.91880%0.798SS**  trans179.948.2143-89.5-54.8000114.5D464D464-Y466 PolarHBondContact O-N 2.9Å
467T38Very low38.8Very low139 Ų139154.9 Ų154.985%0.85380%0.803SS**  trans-13157.6169.648.30000113G469T467-G469 PolarHBondContact O-N 3.36Å; T467-G469 VanDerWaalsContact O-N 3.07Å
468K39.8Very low38.9Very low223 Ų223151.2 Ų151.297%0.9781%0.809SS**  trans-77.592.2171.7-134.8-177.7-170.4-179.50110.3
469G38.8Very low38.6Very low62 Ų62145.8 Ų145.864%0.63981%0.805SS**SBendtrans130.3123.3156.700000117.2T467T467-G469 PolarHBondContact O-N 3.36Å; T467-G469 VanDerWaalsContact O-N 3.07Å
470R37.1Very low38.3Very low240 Ų240151.4 Ų151.491%0.90681%0.812SS**  trans94.880.4164.4-56.8-171.1-74.5-170.8-2.2116.8
471Y34.8Very low38Very low238 Ų238150.3 Ų150.393%0.93381%0.811SS**  trans-76.3139.5143.7-64-83000109.1
472V37.7Very low37.6Very low119 Ų119151 Ų15172%0.72181%0.809SS**  trans-119.4118.7162.3178.10000106.6V474V472-V474 HydrophobicContact CG1-CG2 3.99Å; V472-V474 PolarHBondContact O-N 2.83Å
473L36.6Very low37.5Very low153 Ų153149.2 Ų149.280%0.80181%0.808SS**  trans-76.1111.2172.1179.267.2000108T475L473-T475 HydrophobicContact CG-CG2 4.46Å
474V36.8Very low37.3Very low125 Ų125149.9 Ų149.976%0.75881%0.806SS**  trans-104.692.4172.6-175.90000108.4V472V472-V474 HydrophobicContact CG1-CG2 3.99Å; V472-V474 PolarHBondContact O-N 2.83Å
475T41.3Very low37Very low126 Ų126152.2 Ų152.277%0.77381%0.809SS**  trans-89.9116.7160.939.10000108.6L473L473-T475 HydrophobicContact CG-CG2 4.46Å
476G31.2Very low36.5Very low67 Ų67154.4 Ų154.469%0.69181%0.814SS**  trans-173.3129.1175.600000109.8
477D33.8Very low35.7Very low172 Ų172149.7 Ų149.792%0.9281%0.81SS**  trans-71.7158.3-169.8-64.9-62.2000113.7
478G41.6Very low35.4Very low85 Ų85148.2 Ų148.288%0.87681%0.805SS**  trans-74.5134-161.500000116
479S33.8Very low35.1Very low106 Ų106144.2 Ų144.274%0.74180%0.8SS**  trans-144130.2147.160.30000109.2
480Y35.8Very low35Very low235 Ų235147.4 Ų147.492%0.92281%0.809SS**  trans-81.5128.8-179.6-135.6-98.5000108.7
481L36.4Very low35Very low156 Ų156141.5 Ų141.582%0.81781%0.805SS**  trans-132.2131.3172.2-75.3174.7000111.7
482D32.8Very low34.9Very low129 Ų129134.9 Ų134.969%0.6980%0.799SS**  trans-25.4129.7178.4-161.81.8000118.6C484D482-C484 PolarHBondContact O-N 3.3Å
483P43.3Very low34.7Very low117 Ų117132.8 Ų132.876%0.7680%0.802SS**  trans-8169.8-178.534.8-38.8000114.6
484C33.4Very low34.5Very low104 Ų104136.4 Ų136.470%0.70381%0.805SS**  trans-100.971.7165.6-83.40000112.7D482D482-C484 PolarHBondContact O-N 3.3Å
485F30.7Very low34.3Very low187 Ų187138.1 Ų138.182%0.8281%0.808SS**  trans-106.1100.6170.9-88-83.8000112.1
486Y30.1Very low33.9Very low226 Ų226140.5 Ų140.589%0.88681%0.808SS**  trans-79.6114.6159.1-78.7-83.4000109.5S488Y486-S488 PolarHBondContact O-N 3.48Å
487T25.2Very low33.7Very low134 Ų134142.7 Ų142.782%0.82281%0.807SS**  trans-9485.5178.3570000111.5
488S31.8Very low33.6Very low108 Ų108141 Ų14176%0.75580%0.803SS**  trans-84.1127.8159.9410000109.8Y486Y486-S488 PolarHBondContact O-N 3.48Å
489T33.9Very low33.3Very low140 Ų140143.8 Ų143.886%0.85980%0.797SS**  trans-65.7127.5-177.723.50000112.1S491T489-S491 PolarHBondContact O-N 2.88Å
490P37.6Very low33.2Very low129 Ų129149.9 Ų149.984%0.83880%0.804SS**  trans-86.6109.9175.832.2-31000111.1
491S36.8Very low33Very low116 Ų116146.4 Ų146.481%0.81180%0.801SS**  trans-84.7136159.6-175.10000109.6T489T489-S491 PolarHBondContact O-N 2.88Å
492A32.5Very low32.9Very low98 Ų98142.4 Ų142.481%0.8180%0.797SS**SBendtrans58.7118.817700000116.2
493G32.8Very low33Very low76 Ų76144.7 Ų144.778%0.78481%0.806SS**  trans-96.1168-175.600000115.2
494R32.1Very low32.4Very low228 Ų228147 Ų14786%0.8681%0.808SS**  trans-165.4122.4143.8-103163.8-170.3-166.52.3107.8F496R494-F496 HydrophobicContact CB-CE2 4.43Å
495I32.8Very low32.5Very low161 Ų161152 Ų15283%0.82681%0.814SS**  trans-96.9126.1174.6-60172.9000107.3V497I495-V497 HydrophobicContact CG2-CG2 3.99Å
496F32.2Very low33.1Very low176 Ų176148.6 Ų148.677%0.77281%0.811SS**  trans-106.3121.9163.7-72.6-80.7000108.6R494R494-F496 HydrophobicContact CB-CE2 4.43Å
497V28.7Very low33.2Very low113 Ų113148.1 Ų148.169%0.68581%0.809SS**  trans-100.2116172.1178.70000107.7I495 I499I495-V497 HydrophobicContact CG2-CG2 3.99Å; V497-I499 HydrophobicContact CG1-CD1 4.3Å; V497-I499 HydrophobicContact CG1-CG1 4.07Å
498T32Very low33.9Very low136 Ų136149.9 Ų149.983%0.83481%0.808SS**  trans-126.7105.8168.447.10000109.1
499I34Very low34.2Very low144 Ų144150.2 Ų150.274%0.73881%0.807SS**  trans-92.4120.8173.8-60.7167.3000108.1V497V497-I499 HydrophobicContact CG1-CD1 4.3Å; V497-I499 HydrophobicContact CG1-CG1 4.07Å
500R31.6Very low34.2Very low234 Ų234152.5 Ų152.588%0.88381%0.808SS**  trans-176110.6149.9-101.6166.9-168.1-139.12106.7
501D33.1Very low34.1Very low163 Ų163149.8 Ų149.887%0.87280%0.803SS**  52116.181.9-92.2-21.3000114.6
502G34.1Very low34Very low71 Ų71150.7 Ų150.773%0.73281%0.806SS**  trans105.687.1148.400000118.7
503M34.2Very low33.9Very low178 Ų178149.7 Ų149.788%0.87781%0.805SS**  trans64.2141.8139.9-76.2-66.3-17400122.8
504M30.9Very low34Very low164 Ų164152.8 Ų152.881%0.80881%0.81SS**  trans73.6116.3155.7-66.3-89.577.400120.4
505Y35.5Very low34.2Very low211 Ų211147.8 Ų147.883%0.82781%0.806SS**  trans-50.8147.1145.2-94.1-96.1000110.5
506P44.1Very low34.1Very low115 Ų115145.5 Ų145.575%0.74781%0.805SS**  -149.5178.569.840.2-21.2000117.4
507Y32Very low34.6Very low216 Ų216142.1 Ų142.185%0.84780%0.8SS**  trans89.6120.9154.4-139.1-98.7000118.6
508E39.6Very low35.4Very low171 Ų171142.4 Ų142.480%0.79981%0.805SS**  trans-71.7150.2168.1-65.6-179.4120.300111.8
509P37.7Very low35.8Very low114 Ų114142 Ų14274%0.7480%0.804SS**  trans-126.6112.6139.21.720.5000113.6
510H34.3Very low35.9Very low188 Ų188143.4 Ų143.487%0.8781%0.813SS**  trans41.6116.3145.7-51-42.5000120.9
511G34.4Very low36Very low72 Ų72141.4 Ų141.474%0.74281%0.813SS**  trans-87.1174.816200000114.3
512P36.5Very low36.3Very low135 Ų135138.9 Ų138.988%0.87781%0.806SS**  trans-99.1108.517934.5-28.7000114.2
513G29.1Very low36.2Very low77 Ų77144.1 Ų144.179%0.79481%0.813SS**  trans47.3108.9138.900000122.5
514T34.3Very low36.2Very low142 Ų142141.5 Ų141.587%0.87181%0.807SS**  trans-126.3151144.512.30000109.6
515P36.8Very low36.3Very low122 Ų122141 Ų14179%0.79281%0.808SS**PPolyproline II helixtrans-82.4153.9-164.532.3-35.5000115
516S31.7Very low36.7Very low113 Ų113136.4 Ų136.479%0.7980%0.803SS**PPolyproline II helixtrans-77.5141.6-176.2-161.90000114.1
517P41.8Very low36.1Very low105 Ų105142.4 Ų142.468%0.68281%0.811SS**PPolyproline II helixtrans-79.8162.5148.234.3-30.8000110.8
518P45.3Very low36.4Very low119 Ų119138.1 Ų138.177%0.77381%0.81SS**PPolyproline II helixtrans-79.2159.3-176.132.1-35.7000113.6
519P41.4Very low36.2Very low127 Ų127138.1 Ų138.183%0.82582%0.815SS**PPolyproline II helixtrans-83.2148.8-171.933.2-36.1000114.4
520L35.1Very low35.7Very low175 Ų175136.2 Ų136.292%0.91682%0.816SS**  trans-118.8119.8163.9-79.7171.7000109.9
521Q34.8Very low36Very low191 Ų191133.7 Ų133.789%0.89382%0.816SS**  trans-156.7159.2160.7-75.6-160.7-5.700109.3
522P38Very low35.7Very low110 Ų110136.3 Ų136.371%0.71482%0.817SS**  cis-125.3164.6-13.825.3-4.4000113.7
523M31.9Very low35.5Very low181 Ų181137.6 Ų137.689%0.89282%0.816SS**  trans-84150.2159.6-78.2-172.565.500110.8
524V35.8Very low36.1Very low124 Ų124139 Ų13975%0.75281%0.812SS**  trans-135.3155.3166.9178.90000108.5
525D32.5Very low36.5Very low154 Ų154138 Ų13882%0.82481%0.807SS**  trans-68.1162.9-150.1-59.2-68.7000119.6
526P43.3Very low35.9Very low113 Ų113137.5 Ų137.573%0.73481%0.806SS**  trans-107.7137.8-179.937.9-30.5000116
527R31.8Very low35.8Very low242 Ų242137 Ų13791%0.91381%0.809SS**  trans152.7164.9145.5-93.7-177.1170.5-160.2-1.7112
528P39.4Very low35.2Very low125 Ų125135.3 Ų135.381%0.81281%0.811SS**  cis-125.5-161.4-1.728.7-4.9000114.7
529L33.9Very low34.6Very low172 Ų172138.2 Ų138.290%0.90182%0.815SS**  trans-92.5148.3-160.3-67.5151.1000117.7
530G27.4Very low34.3Very low74 Ų74138 Ų13876%0.76381%0.806SS**  trans87.3163.6144.900000118.7
531P41.8Very low34.2Very low135 Ų135135.9 Ų135.988%0.87780%0.796SS**  cis-128.6-154.57.342.9-25.4000115.3
532T27.5Very low34.1Very low126 Ų126134.6 Ų134.677%0.77379%0.794SS**  trans-98.3161-148.3-28.80000118.2
533L31Very low33.7Very low163 Ų163132.9 Ų132.985%0.85380%0.796SS**  trans113146.7147.2-68.9173.8000119.9
534P43.3Very low33.7Very low107 Ų107128.1 Ų128.170%0.69579%0.793SS**  trans-101.8174.4-170.245.1-39000112.9
535P41.5Very low33.5Very low120 Ų120131.9 Ų131.978%0.77980%0.799SS**  -158.4162.88741.8-21.7000119
536S25.3Very low33.7Very low111 Ų111128.6 Ų128.678%0.77679%0.794SS**  trans49.6131.1133.1-167.10000125.1
537A29.6Very low33.3Very low102 Ų102131.4 Ų131.484%0.84379%0.794SS**  trans65.8152.4150.100000119.2
538G29.3Very low33.4Very low71 Ų71125.7 Ų125.773%0.73278%0.782SS**  cis-127.6-153.4-15.200000109.1
539E32.9Very low33.1Very low180 Ų180125.3 Ų125.384%0.84178%0.782SS**  cis-165.8175.7-0.2-139.4163.2-174.500108.6
540D33.2Very low32.9Very low121 Ų121121 Ų12165%0.64778%0.779SS**  trans74.996.6156-69.5-28.3000124.9
541N33.3Very low33.1Very low131 Ų131121.4 Ų121.470%0.70178%0.784SS**  61.4107.999.6-81.1-48.3000121.8
542I33.9Very low32.5Very low165 Ų165127.4 Ų127.485%0.84679%0.789SS**  157.5138.7100.7-89.2148.2000114
543G29.7Very low32.6Very low74 Ų74124.9 Ų124.976%0.76379%0.788SS**  trans84.3106.8163.300000114
544G32.2Very low32.7Very low81 Ų81126.5 Ų126.584%0.83579%0.788SS**  cis93.9126.747.100000108
545K31.5Very low31.9Very low202 Ų202125.8 Ų125.888%0.87879%0.786SS**  cis-148.7140.924.5-106.6173.4178.21740108.1
546A35Very low31.3Very low85 Ų85127.6 Ų127.670%0.70279%0.788SS**  64.6134.598.700000114.3
547K35.6Very low31.4Very low172 Ų172130.2 Ų130.275%0.74879%0.794SS**  cis-166.4162.219.2-136.2174.5175.6-99.10111.9
548D33.2Very low31.3Very low123 Ų123129 Ų12966%0.65879%0.791SS**  trans32.9137.5147.1-59.2-19.8000119.9
549S33.3Very low31.2Very low117 Ų117134.4 Ų134.482%0.81880%0.797SS**  cis-160.6157.218.940.10000107.9
550G30.1Very low31.7Very low81 Ų81130.7 Ų130.784%0.83579%0.788SS**  cis115.7108.425.400000108.8
551G31.1Very low31.4Very low83 Ų83134 Ų13486%0.85680%0.798SS**  trans153.584.8178.900000115.6
552R30.9Very low31.3Very low260 Ų260132.4 Ų132.498%0.98180%0.797SS**  trans-76.2141.3162.6-74.9175.1167.8171.7-4.8109.6
553G29.7Very low31Very low73 Ų73134.3 Ų134.375%0.75380%0.799SS**  trans-179.175.6172.300000118.6
554K31.2Very low31.1Very low198 Ų198137.9 Ų137.986%0.86180%0.8SS**  trans36.6118.5141.8-85.6-178.5173.6-179.70121.5
555S27.8Very low31.4Very low92 Ų92139.8 Ų139.864%0.64380%0.798SS**  trans49.4119130.364.80000121.1
556N29.2Very low31.6Very low157 Ų157137.3 Ų137.384%0.8479%0.794SS**  -176.1164.397.8-99.2-18.8000113.9
557N26.4Very low32Very low167 Ų167138.6 Ų138.689%0.89380%0.795SS**  trans-62.9152175.8-64.8-27.5000113.2
558G27.7Very low31.7Very low75 Ų75138.3 Ų138.377%0.77380%0.801SS**  trans165.985.716500000115.4
559E28.2Very low31.6Very low186 Ų186140.2 Ų140.287%0.86981%0.811SS**  trans-67.5159.7141.1-74.8-164.9159.500108.6
560P42.2Very low32Very low101 Ų101140.1 Ų140.166%0.65681%0.807SS**  cis-150.7179.729.544.7-24.6000119.1
561F27.4Very low32.8Very low192 Ų192141.2 Ų141.284%0.84280%0.8SS**  trans57.5119.8146.8-77.2-57.1000123.7
562S30.1Very low32.8Very low97 Ų97141.7 Ų141.768%0.67879%0.79SS**  trans74.8108130.1-55.20000121.7
563K27.5Very low32.6Very low204 Ų204136.5 Ų136.589%0.88778%0.782SS**  170.2133.6111.4-94.1169.5179.9177.20112.9
564D31.8Very low32.5Very low149 Ų149138.9 Ų138.980%0.79779%0.787SS**  trans-68.2165.1162.7-61.4-50.9000111.5
565P39.6Very low32.4Very low122 Ų122135.5 Ų135.579%0.79279%0.788SS**  -142.7137.49435.3-20000115.8
566N35.3Very low32.7Very low150 Ų150136.1 Ų136.180%0.80279%0.792SS**  trans-65.6156.2152.4-81.5-42.1000110.2
567P44.4Very low32.6Very low111 Ų111137.7 Ų137.772%0.72180%0.795SS**  -146.1164.698.142.2-26.7000112.4
568L28.6Very low32.9Very low167 Ų167137 Ų13787%0.87479%0.791SS**  cis-151.1160.338.8-79.4162.3000112.6
569L30.5Very low33.6Very low163 Ų163139.6 Ų139.685%0.85379%0.794SS**  trans-82.7-149.8168.2-59.1154.2000108.9
570P42.8Very low33.8Very low114 Ų114137.3 Ų137.374%0.7479%0.792SS**  cis-141.4-159.4-8.931-3.2000113.5
571P45.6Very low33.8Very low105 Ų105138.7 Ų138.768%0.68280%0.801SS**  -143.4-172.6-6044.2-28.1000116
572S32Very low33.8Very low93 Ų93132.8 Ų132.865%0.6580%0.795SS**  trans72.7149.6139.9-68.60000121.2
573D26.7Very low33.7Very low151 Ų151135.9 Ų135.981%0.80780%0.804SS**  cis-166.1159.8-14.2-100.3-33.8000109.5
574S28.2Very low33.7Very low123 Ų123133.5 Ų133.586%0.8680%0.801SS**  trans-159.5136.4154.563.90000113
575S27.8Very low33.6Very low127 Ų127136.1 Ų136.189%0.88880%0.8SS**  trans-137.5175.4178.159.60000112.3
576S33.7Very low33.6Very low105 Ų105136.2 Ų136.273%0.73480%0.8SS**  trans-94.3156.1-161.148.50000116.7
577Q28.6Very low33.3Very low190 Ų190137 Ų13789%0.88880%0.796SS**  170.2154.3126.4-96.2-174.3-9.500115.3
578D31.1Very low32.5Very low151 Ų151141.1 Ų141.181%0.80780%0.803SS**  trans-83.2162.9165.5-62-62.2000112.1
579P42.4Very low32.4Very low131 Ų131142.6 Ų142.685%0.85180%0.802SS**  -155.6-173.487.639.3-17.3000117.2
580V32.4Very low32.8Very low137 Ų137139.8 Ų139.883%0.8379%0.794SS**  trans-117141.8-172.7-179.20000113.6
581P42.5Very low32.1Very low130 Ų130140.6 Ų140.684%0.84480%0.797SS**  -146.2177.7116.435.4-17.7000113.7
582G28.1Very low31.2Very low68 Ų68139.4 Ų139.470%0.70180%0.796SS**  cis160.4127.9-11.300000114.1
583N28.5Very low31Very low163 Ų163147.1 Ų147.187%0.87281%0.811SS**  trans62.6153.4-178.5-69.70000116.7
584D27.6Very low30.9Very low154 Ų154143.5 Ų143.582%0.82481%0.809SS**  cis-147.9178.527.4-140.8-27.6000114.8
585R28.6Very low30.8Very low204 Ų204141.4 Ų141.477%0.7781%0.806SS**  trans-112.2163.1-176.6-123179.7-177.3-175.42.8111.5
586P40.9Very low30.8Very low124 Ų124140.3 Ų140.381%0.80580%0.799SS**  -156.5174.87040.4-17.7000120.3
587K28.8Very low30.4Very low166 Ų166140.7 Ų140.772%0.72280%0.801SS**  trans-45.2151.6175.3-50.6160.3-179.1175.80116
588K27.1Very low30.3Very low198 Ų198136.3 Ų136.386%0.86179%0.792SS**  -178.7150.778-92.6-174179.7177.90114.4
589K26.4Very low30.1Very low198 Ų198133.6 Ų133.686%0.86179%0.785SS**  trans-92.5179.4152.3-89.9-174.4176.1-178.90108.6
590P39.8Very low29.4Very low103 Ų103134.2 Ų134.267%0.66979%0.786SS**  cis-149.6177.520.639.9-17000119.5
591T27.3Very low29.2Very low132 Ų132130.8 Ų130.881%0.8178%0.779SS**  trans58159.6142.150.60000122.5
592A27.1Very low28.5Very low79 Ų79129.8 Ų129.865%0.65378%0.775SS**  cis178.6163.5-27.600000109.9
593R27.1Very low28.4Very low256 Ų256131.3 Ų131.397%0.96678%0.775SS**  trans69.9144.7169.9-61.5175.9168.5172.7-4.6116.4
594G25.2Very low28.4Very low75 Ų75129.4 Ų129.477%0.77377%0.769SS**  cis157.4153.7-9.300000114.3
595G26.2Very low28.4Very low78 Ų78127.5 Ų127.580%0.80477%0.768SS**  trans73.8159.9173.100000115
596S26.9Very low28.3Very low104 Ų104124.7 Ų124.773%0.72777%0.774SS**  cis179.6151.1-14.839.70000107.7
597S25.9Very low27.7Very low113 Ų113123.8 Ų123.879%0.7977%0.77SS**  trans60.7153.3164.248.80000117.2
598S26.6Very low27.7Very low98 Ų98122 Ų12269%0.68577%0.773SS**  cis-169.8148.5-15.145.30000109.8
599S27.8Very low27.7Very low94 Ų94118.6 Ų118.666%0.65777%0.769SS**  trans49.113814263.40000122.4
600T27.4Very low27.7Very low144 Ų144114 Ų11488%0.88376%0.762SS**  trans64.8140.6151.245.40000118.1
601G26.7Very low27.2Very low66 Ų66114.1 Ų114.168%0.6877%0.766SS**  cis154.1154-2.700000111.3
602S27.8Very low27.2Very low109 Ų109112.4 Ų112.476%0.76276%0.759SS**  trans54.8110.5165.7-165.80000118.8
603S28.1Very low27.5Very low100 Ų100113.6 Ų113.670%0.69976%0.763SS**  trans-12.5140.813346.40000117.1
604T27.5Very low27.7Very low123 Ų123110.6 Ų110.676%0.75576%0.757SS**  -174.4131.591.7-62.80000109.8
605S27.9Very low28.1Very low114 Ų114111.9 Ų111.980%0.79775%0.754SS**  trans-95.8146.4167.547.80000110.2
606T27Very low28.6Very low144 Ų144114.2 Ų114.288%0.88376%0.755SS**  trans-134.6132.5159.5-3.40000109.4
607S28.5Very low29Very low105 Ų105115 Ų11573%0.73475%0.751SS**  trans-98.4160.4-173.150.10000111.7
608T27.5Very low29.9Very low128 Ų128114.6 Ų114.679%0.78574%0.744SS**  trans-154.7112.5141.521.20000110
609T26.8Very low30.8Very low127 Ų127113.5 Ų113.578%0.77973%0.729SS**  45.1141.5125.361.30000119.8
610S27.9Very low31.6Very low101 Ų101113.1 Ų113.171%0.70673%0.725SS**  cis-162.315039.353.10000115.1
611S28.6Very low32.5Very low107 Ų107113 Ų11375%0.74871%0.71SS**  trans24.7133.9146.6610000120.3
612S26.4Very low33.6Very low96 Ų96113.3 Ų113.367%0.67169%0.693SS**  -171.8140.760.955.70000115.4
613S33Very low34.8Very low104 Ų104113.4 Ų113.473%0.72768%0.68SS**  trans37.2110.714761.80000121.4
614F31.8Very low36.2Very low193 Ų193110.2 Ų110.285%0.84666%0.656SS**  trans-139.3166.3148.5-85.9-79.5000110.8
615S34.9Very low37.8Very low102 Ų102109 Ų10971%0.71364%0.642SS**  trans-54.1158.5-170.9-43.80000115.4D617S615-D617 PolarHBondContact O-N 2.81Å
616P35Very low39.4Very low127 Ų127105.9 Ų105.983%0.82562%0.618SS**  trans-68107.5179.128.2-34.4000111.2
617D36.8Very low40.9Very low121 Ų121101.3 Ų101.365%0.64759%0.59SS**  trans-62.3138.2172.5-125.5-28.9000109.9S615 M619S615-D617 PolarHBondContact O-N 2.81Å; D617-M619 PolarHBondContact O-N 3.16Å
618T44.9Very low42.6Very low103 Ų103100.8 Ų100.863%0.63258%0.575SS**  trans-76.492.5-177.5-58.60000109.4C620T618-C620 PolarHBondContact O-N 2.94Å
619M45.5Very low44.3Very low76 Ų7696.2 Ų96.237%0.37455%0.549SS..PPolyproline II helixtrans-73.2123.6178.8-68.6-144.9-97.600111.6D617 Y621 M652D617-M619 PolarHBondContact O-N 3.16Å; M619-Y621 HydrophobicContact CB-CD2 4.41Å; M619-Y621 HydrophobicContact CB-CE2 3.74Å; M619-M652 HydrophobicContact CE-CE 3.53Å; M619-M652 HydrophobicContact SD-CE 3.7Å
620C44.6Very low46.4Very low86 Ų8692.1 Ų92.158%0.58152%0.524SS*.PPolyproline II helixtrans-91.3122.6165.1-62.80000108.8T618T618-C620 PolarHBondContact O-N 2.94Å
621Y45.2Very low48.5Very low142 Ų14291 Ų9156%0.55751%0.507SS*.EExtended strand (participates in β ladder)trans-99.3129.6174.7-60.5-97.8000108.6M619 M652M619-Y621 HydrophobicContact CB-CD2 4.41Å; M619-Y621 HydrophobicContact CB-CE2 3.74Å; Y621-M652 HydrophobicContact CD1-CG 3.76Å; Y621-M652 HydrophobicContact CE1-CE 4.06Å; Y621-M652 HydrophobicContact CE1-CG 3.62Å; Y621-M652 HydrophobicContact CE1-SD 4Å
622E49.6Very low50.4Low72 Ų7290 Ų9034%0.33649%0.489SS..EExtended strand (participates in β ladder)trans-100.7101.8166.5-169.7166.9-157.200108.3K12 V624 T651K12-E622 WeakPolarHBondContact CE-OE1 3.4Å; K12-E622 IonicContact NZ-OE1 2.67Å; K12-E622 PolarHBondContact NZ-OE1 3.36Å; E622-V624 HydrophobicContact CG-CG2 3.97Å; E622-T651 PolarHBondContact N-O 2.76Å; E622-T651 PolarHBondContact O-N 2.88Å; E622-T651 VanDerWaalsContact O-N 3.13Å; E622-T651 PolarHBondContact O-OG1 3.32Å
623K53.5Low52.2Low111 Ų11189.5 Ų89.548%0.48348%0.475SS..EExtended strand (participates in β ladder)trans-87.7109.5174.3179.6169.1-177.9137.30109V648 E650K623-V648 HydrophobicContact CG-CG1 4.26Å; K623-E650 HydrophobicContact CB-CG 4.18Å; K623-E650 HydrophobicContact CD-CG 4.22Å; K623-E650 WeakPolarHBondContact CD-OE1 3.4Å; K623-E650 WeakPolarHBondContact CE-OE1 3.2Å; K623-E650 HydrophobicContact CG-CG 3.89Å; K623-E650 IonicContact NZ-OE1 3.58Å; K623-E650 PolarHBondContact NZ-OE1 3.1Å
624V57.6Low53.7Low32 Ų3285.7 Ų85.719%0.19445%0.449CS..EExtended strand (participates in β ladder)trans-107.4106.9175.7-172.90000108.6E622 V626 V649E622-V624 HydrophobicContact CG-CG2 3.97Å; V624-V626 HydrophobicContact CG1-CG2 4.08Å; V624-V649 PolarHBondContact N-O 3.32Å; V624-V649 PolarHBondContact O-N 2.79Å
625E60Low55Low99 Ų9983.9 Ų83.946%0.46345%0.448SS..EExtended strand (participates in β ladder)trans-94.7127.5172.2-177.7162-154.400109.2V627 V648E625-V627 HydrophobicContact CG-CG2 4.3Å; E625-V648 HydrophobicContact CB-CG2 4.44Å; E625-V648 HydrophobicContact CG-CG2 4.05Å
626V62Low56.7Low47 Ų4785 Ų8529%0.28545%0.446SS..EExtended strand (participates in β ladder)trans-123.9122.7177.2-177.10000108V624 M647V624-V626 HydrophobicContact CG1-CG2 4.08Å; V626-M647 PolarHBondContact N-O 3.43Å; V626-M647 PolarHBondContact O-N 2.87Å
627V59.2Low58.1Low49 Ų4989.5 Ų89.530%0.29745%0.446SS..EExtended strand (participates in β ladder)trans-113.5127.6179.1-176.50000108.7E625 E644E625-V627 HydrophobicContact CG-CG2 4.3Å; V627-E644 HydrophobicContact CG1-CG 3.81Å; V627-E644 VanDerWaalsContact CG1-OE1 3.31Å; V627-E644 WeakPolarHBondContact CG1-OE1 3.41Å
628E64.3Low59.5Low93 Ų9391 Ų9144%0.43545%0.447SS..EExtended strand (participates in β ladder)trans-115.1125.3173.3-173.1176.1162.900109.7F6 E644 T645F6-E628 HydrophobicContact CD1-CG 4.3Å; F6-E628 HydrophobicContact CE1-CG 4.43Å; F6-E628 WeakPolarHBondContact CE1-OE1 3.48Å; E628-E644 CarbonylContact O-C 3.58Å; E628-E644 WeakPolarHBondContact O-CA 3.12Å; E628-T645 PolarHBondContact N-O 2.75Å; E628-T645 PolarHBondContact O-N 3.23Å
629S63.9Low60.8Low33 Ų3390 Ų9023%0.23144%0.441CS..EExtended strand (participates in β ladder)trans-120.8128.6178.956.90000111.3
630V69.9Low62.1Low41 Ų4194.5 Ų94.525%0.24846%0.458CS..EExtended strand (participates in β ladder)trans-119.1110.2-176.3-177.70000110.2E643V630-E643 PolarHBondContact N-O 2.85Å; V630-E643 PolarHBondContact O-N 2.88Å
631E71.6Confident63Low77 Ų7791.6 Ų91.636%0.3644%0.443SS..EExtended strand (participates in β ladder)trans-96.7122177.4-63.8-171.516400111.7F633 Y642E631-F633 HydrophobicContact CB-CD2 4.26Å; E631-F633 HydrophobicContact CB-CE2 3.56Å; E631-F633 HydrophobicContact CB-CZ 4.11Å; E631-F633 WeakPolarHBondContact OE2-CZ 3.49Å; E631-Y642 HydrophobicContact CG-CD2 4.03Å; E631-Y642 HydrophobicContact CG-CE2 4.4Å
632K69.6Low64.2Low86 Ų8690.9 Ų90.937%0.37444%0.44SS..EExtended strand (participates in β ladder)trans-99.6107.9-179.9-66.8166.5-171.81610109.3K640 G641 E643K632-K640 PolarHBondContact O-N 3.46Å; K632-G641 PolarHBondContact N-O 3.22Å; K632-G641 PolarHBondContact O-N 3.46Å; K632-E643 IonicContact NZ-OE2 2.69Å; K632-E643 PolarHBondContact NZ-OE2 2.65Å
633F63.6Low65.1Low85 Ų8592.3 Ų92.337%0.37345%0.447SS..EExtended strand (participates in β ladder)trans-95.5145-179.7-67.5-90.5000113.2E631 V639E631-F633 HydrophobicContact CB-CD2 4.26Å; E631-F633 HydrophobicContact CB-CE2 3.56Å; E631-F633 HydrophobicContact CB-CZ 4.11Å; E631-F633 WeakPolarHBondContact OE2-CZ 3.49Å; F633-V639 HydrophobicContact CD1-CG2 3.94Å; F633-V639 HydrophobicContact CE1-CG2 3.46Å; F633-V639 VanDerWaalsContact CE1-CG2 3.46Å; F633-V639 HydrophobicContact CZ-CG2 3.97Å
634S64.2Low66Low24 Ų2492 Ų9217%0.16845%0.447CS..  trans-78.2168.5163.5740000112D636 R637 K638S634-D636 PolarHBondContact O-N 3.23Å; S634-D636 VanDerWaalsContact O-N 3.16Å; S634-D636 PolarHBondContact OG-N 2.79Å; S634-R637 PolarHBondContact O-N 3.15Å; S634-K638 PolarHBondContact N-O 3.43Å; S634-K638 PolarHBondContact OG-N 2.81Å; S634-K638 PolarHBondContact OG-O 3.3Å
635N60.3Low66.2Low155 Ų15595 Ų9583%0.82947%0.465SS*.THydrogen-bonded Turntrans-57.9-26.4174.1-71-10000112.8R637N635-R637 PolarHBondContact O-N 3.43Å
636D70.4Confident66.2Low127 Ų12793.4 Ų93.468%0.67947%0.465SS*.THydrogen-bonded Turntrans-83.614.9176.4-47-37.3000113.4S634 K638S634-D636 PolarHBondContact O-N 3.23Å; S634-D636 VanDerWaalsContact O-N 3.16Å; S634-D636 PolarHBondContact OG-N 2.79Å; D636-K638 PolarHBondContact O-N 2.84Å; D636-K638 VanDerWaalsContact O-N 3.13Å
637R64.6Low66.2Low220 Ų22096.8 Ų96.883%0.8348%0.479SS*.SBendtrans56.819.8-174.9-60.6-174.9175.7-168.90.4115.5S634 N635S634-R637 PolarHBondContact O-N 3.15Å; N635-R637 PolarHBondContact O-N 3.43Å
638K64.6Low66.3Low153 Ų15397.6 Ų97.667%0.66548%0.484SS*.  trans-87.5132.9172.4-66-179.3179.9176.40109.9S634 D636 K640S634-K638 PolarHBondContact N-O 3.43Å; S634-K638 PolarHBondContact OG-N 2.81Å; S634-K638 PolarHBondContact OG-O 3.3Å; D636-K638 PolarHBondContact O-N 2.84Å; D636-K638 VanDerWaalsContact O-N 3.13Å; K638-K640 PolarHBondContact O-N 2.98Å
639V72.9Confident65.9Low81 Ų8196.1 Ų96.149%0.49148%0.481SS..EExtended strand (participates in β ladder)trans-64.9124.9174.1-178.90000108.6F633F633-V639 HydrophobicContact CD1-CG2 3.94Å; F633-V639 HydrophobicContact CE1-CG2 3.46Å; F633-V639 VanDerWaalsContact CE1-CG2 3.46Å; F633-V639 HydrophobicContact CZ-CG2 3.97Å
640K72.1Confident65.5Low172 Ų172100 Ų10075%0.74850%0.496SS*.EExtended strand (participates in β ladder)trans-105.4-16.1177.2-88.3-167.4169.5-170.50113.4K632 K638K632-K640 PolarHBondContact O-N 3.46Å; K638-K640 PolarHBondContact O-N 2.98Å
641G63.1Low64.6Low25 Ų25100.9 Ų100.926%0.25850%0.501SS..EExtended strand (participates in β ladder)trans-167145.1177.300000111.2K632K632-G641 PolarHBondContact N-O 3.22Å; K632-G641 PolarHBondContact O-N 3.46Å
642Y72.3Confident63.6Low126 Ų126102.7 Ų102.749%0.49451%0.511SS..EExtended strand (participates in β ladder)trans-125.4133.2175.5179.9-93.1000107.3E631 E644E631-Y642 HydrophobicContact CG-CD2 4.03Å; E631-Y642 HydrophobicContact CG-CE2 4.4Å; Y642-E644 HydrophobicContact CD1-CB 4.49Å; Y642-E644 HydrophobicContact CE1-CB 3.61Å; Y642-E644 PolarHBondContact OH-OE2 2.87Å
643E67Low62.8Low102 Ų102103.9 Ų103.948%0.47752%0.521SS..EExtended strand (participates in β ladder)trans-141.4118.3-179.1-171.6168.1-169.600107.6V630 K632V630-E643 PolarHBondContact N-O 2.85Å; V630-E643 PolarHBondContact O-N 2.88Å; K632-E643 IonicContact NZ-OE2 2.69Å; K632-E643 PolarHBondContact NZ-OE2 2.65Å
644E73.3Confident61.8Low105 Ų105107.6 Ų107.649%0.49154%0.539SS..EExtended strand (participates in β ladder)trans-121.2133.2-176.7-178.9179.1-154.800108.6V627 E628 Y642V627-E644 HydrophobicContact CG1-CG 3.81Å; V627-E644 VanDerWaalsContact CG1-OE1 3.31Å; V627-E644 WeakPolarHBondContact CG1-OE1 3.41Å; E628-E644 CarbonylContact O-C 3.58Å; E628-E644 WeakPolarHBondContact O-CA 3.12Å; Y642-E644 HydrophobicContact CD1-CB 4.49Å; Y642-E644 HydrophobicContact CE1-CB 3.61Å; Y642-E644 PolarHBondContact OH-OE2 2.87Å
645T61.8Low61Low94 Ų94114.5 Ų114.558%0.57757%0.566SS**EExtended strand (participates in β ladder)trans-131.1115.3177.6-60.20000109.2E628E628-T645 PolarHBondContact N-O 2.75Å; E628-T645 PolarHBondContact O-N 3.23Å
646S59Low60.2Low66 Ų66111.8 Ų111.846%0.46256%0.56SS.*EExtended strand (participates in β ladder)trans-101.8124.9177.6-52.20000110.2
647M62.2Low58.7Low118 Ų118110.8 Ų110.858%0.58156%0.562SS**EExtended strand (participates in β ladder)trans-114.9113.9174.6-173173.265.200109.5V626 V649V626-M647 PolarHBondContact N-O 3.43Å; V626-M647 PolarHBondContact O-N 2.87Å; M647-V649 HydrophobicContact CE-CG2 4.2Å; M647-V649 HydrophobicContact CG-CG2 4.15Å; M647-V649 HydrophobicContact SD-CG2 4.49Å
648V60.9Low57.4Low66 Ų66109.7 Ų109.740%0.456%0.564SS.*EExtended strand (participates in β ladder)trans-95.8119.6174.4179.80000108.6K623 E625 E650K623-V648 HydrophobicContact CG-CG1 4.26Å; E625-V648 HydrophobicContact CB-CG2 4.44Å; E625-V648 HydrophobicContact CG-CG2 4.05Å; V648-E650 HydrophobicContact CG1-CG 4.03Å
649V56.1Low56.4Low62 Ų62111 Ų11138%0.37657%0.57SS.*EExtended strand (participates in β ladder)trans-112.3107.5174.5-174.10000108.2V624 M647 T651V624-V649 PolarHBondContact N-O 3.32Å; V624-V649 PolarHBondContact O-N 2.79Å; M647-V649 HydrophobicContact CE-CG2 4.2Å; M647-V649 HydrophobicContact CG-CG2 4.15Å; M647-V649 HydrophobicContact SD-CG2 4.49Å; V649-T651 HydrophobicContact CG1-CG2 4.17Å
650E56.3Low54.8Low115 Ų115116.7 Ų116.754%0.53759%0.588SS.*EExtended strand (participates in β ladder)trans-98.7109.9174-73174.9-176.100108.7K623 V648K623-E650 HydrophobicContact CB-CG 4.18Å; K623-E650 HydrophobicContact CD-CG 4.22Å; K623-E650 WeakPolarHBondContact CD-OE1 3.4Å; K623-E650 WeakPolarHBondContact CE-OE1 3.2Å; K623-E650 HydrophobicContact CG-CG 3.89Å; K623-E650 IonicContact NZ-OE1 3.58Å; K623-E650 PolarHBondContact NZ-OE1 3.1Å; V648-E650 HydrophobicContact CG1-CG 4.03Å
651T50.4Low53.2Low59 Ų59120.9 Ų120.936%0.36261%0.609SS.*EExtended strand (participates in β ladder)trans-97.5122.6175.650.40000110.9E622 V649E622-T651 PolarHBondContact N-O 2.76Å; E622-T651 PolarHBondContact O-N 2.88Å; E622-T651 VanDerWaalsContact O-N 3.13Å; E622-T651 PolarHBondContact O-OG1 3.32Å; V649-T651 HydrophobicContact CG1-CG2 4.17Å
652M49.9Very low52.7Low115 Ų115125.7 Ų125.757%0.56763%0.627SS**EExtended strand (participates in β ladder)trans-93.2115.9171.2-67.7179.461.100109.4M619 Y621M619-M652 HydrophobicContact CE-CE 3.53Å; M619-M652 HydrophobicContact SD-CE 3.7Å; Y621-M652 HydrophobicContact CD1-CG 3.76Å; Y621-M652 HydrophobicContact CE1-CE 4.06Å; Y621-M652 HydrophobicContact CE1-CG 3.62Å; Y621-M652 HydrophobicContact CE1-SD 4Å
653I52.9Low51.7Low112 Ų112125.7 Ų125.757%0.57463%0.634SS**  trans-9890.4174.3-55.7178.8000108.7K655I653-K655 PolarHBondContact O-N 3.44Å
654E44.1Very low50.9Low163 Ų163127 Ų12776%0.76264%0.643SS**  trans-72.1110.7173.2-167.9177-140.400109.8S656E654-S656 VanDerWaalsContact C-N 3.29Å; E654-S656 PolarHBondContact O-N 2.8Å
655K46.7Very low49.5Very low169 Ų169128.3 Ų128.374%0.73565%0.651SS**  trans-73.780.2177.1-78.2-176.9177.5172.20110.6I653 S657I653-K655 PolarHBondContact O-N 3.44Å; K655-S657 PolarHBondContact O-N 2.96Å
656S42.5Very low48.8Very low98 Ų98130.4 Ų130.469%0.68566%0.656SS**  trans-60.799.3175.261.70000111.9E654 K658E654-S656 VanDerWaalsContact C-N 3.29Å; E654-S656 PolarHBondContact O-N 2.8Å; S656-K658 VanDerWaalsContact C-N 3.32Å; S656-K658 PolarHBondContact O-N 3.41Å
657S40.6Very low48.1Very low106 Ų106134.7 Ų134.774%0.74167%0.669SS**  trans-72.486.717550.70000109.9K655 K659K655-S657 PolarHBondContact O-N 2.96Å; S657-K659 VanDerWaalsContact C-N 3.33Å; S657-K659 PolarHBondContact O-N 3Å
658K37.1Very low47.1Very low196 Ų196135.9 Ų135.985%0.85268%0.675SS**  trans-66.785.5-178.2-128.6173.6-172.4170.80111.1S656 K660S656-K658 VanDerWaalsContact C-N 3.32Å; S656-K658 PolarHBondContact O-N 3.41Å; K658-K660 PolarHBondContact O-N 2.86Å; K658-K660 VanDerWaalsContact O-N 3.14Å
659K43Very low46Very low182 Ų182141.3 Ų141.379%0.79170%0.697SS**  trans-56114.9163.6-85.6179.8175172.40108.6S657S657-K659 VanDerWaalsContact C-N 3.33Å; S657-K659 PolarHBondContact O-N 3Å
660K40.2Very low45.2Very low200 Ų200147.9 Ų147.987%0.8772%0.723SS**  trans-83124.4156.5-78.6-172.8173.2-176.10107.9K658K658-K660 PolarHBondContact O-N 2.86Å; K658-K660 VanDerWaalsContact O-N 3.14Å
661H38.3Very low44.2Very low260 Ų260150.9 Ų150.9100%1.20474%0.74SS**  trans-72.90152.5-85.9-61.4000109.7

Retrieved 661 of 661 residues in 145.7 ms (Link to these results)