A0A060D7Y3_MAIZE Loading...

BHLH transcription factor

AlphaFold DB , UniProt , Accession A0A060D7Y3, Species MAIZE (Zea mays, Maize), Gene bHLH169, Length 214 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
1M53Low53.1Low233 Ų233148.5 Ų148.5100%1.14884%0.843SS**  079.30-77.1-165.1170.200106.6R3M1-R3 PolarHBondContact O-N 3.18Å
2D50.4Low53.4Low151 Ų151146.3 Ų146.381%0.80784%0.835SS**  trans-73.1104.6178.8-56-74.2000107.7E4D2-E4 PolarHBondContact O-N 3.25Å
3R53.4Low53.5Low244 Ų244151.9 Ų151.992%0.92184%0.835SS**  trans-82.395.8171.5-92.2-175.9166.6151.2-2.8107.6M1 C5M1-R3 PolarHBondContact O-N 3.18Å; R3-C5 PolarHBondContact O-N 3.06Å
4E53.1Low53.9Low172 Ų172146.9 Ų146.980%0.80482%0.816SS**  trans-52.9109.1165-79147.494.300109.9D2 S6D2-E4 PolarHBondContact O-N 3.25Å; E4-S6 PolarHBondContact O-N 3.17Å
5C51.1Low54.6Low127 Ų127140 Ų14086%0.85879%0.791SS**  trans-79.991.6169-164.30000107.3R3 P7R3-C5 PolarHBondContact O-N 3.06Å; C5-P7 WeakPolarHBondContact O-CD 3.34Å
6S60.5Low55.8Low90 Ų90137.5 Ų137.563%0.62978%0.78SS**  trans-64.8121.1175.4-55.80000110.7E4 L8E4-S6 PolarHBondContact O-N 3.17Å; S6-L8 PolarHBondContact O-N 3.1Å; S6-L8 VanDerWaalsContact O-N 3.1Å
7P53.9Low57.3Low131 Ų131131.8 Ų131.885%0.85176%0.759SS**  trans-82.889.8174.131.6-29.6000109.4C5C5-P7 WeakPolarHBondContact O-CD 3.34Å
8L46.5Very low58.8Low162 Ų162134 Ų13485%0.84875%0.753SS**  trans-81.5128.3168.5-73.2166.8000109.8S6S6-L8 PolarHBondContact O-N 3.1Å; S6-L8 VanDerWaalsContact O-N 3.1Å
9A51.9Low60.4Low103 Ų103130.8 Ų130.885%0.85174%0.74SS**  trans81.670.9160.600000118.8
10A52.1Low62.1Low97 Ų97131.3 Ų131.380%0.80274%0.736SS**  trans-132.449.5160.900000113.1
11T58.2Low63.7Low123 Ų123128.3 Ų128.376%0.75572%0.724SS**  trans-152.473.8166.7-69.40000111.4
12T56.6Low65.7Low122 Ų122122 Ų12275%0.74869%0.691SS**  trans-124.14.3157.954.50000112.6S14T12-S14 VanDerWaalsContact C-N 3.31Å; T12-S14 PolarHBondContact O-N 3.2Å
13R55.4Low67.9Low220 Ų220117.6 Ų117.683%0.8368%0.676SS**Hα-helixtrans-67.9-23.6179.6-67.2178.865109.9-1114.2T16R13-T16 PolarHBondContact O-OG1 3.05Å
14S58.9Low70Confident82 Ų82108.6 Ų108.657%0.57364%0.644SS**Hα-helixtrans-77.2-32.7-177.365.90000113.2T12 R18T12-S14 VanDerWaalsContact C-N 3.31Å; T12-S14 PolarHBondContact O-N 3.2Å; S14-R18 WeakPolarHBondContact O-CG 3.4Å; S14-R18 PolarHBondContact O-N 3.34Å
15G63.7Low72.1Confident43 Ų43107.8 Ų107.844%0.44363%0.634SS.*Hα-helixtrans-70.4-40.3179.400000113S19G15-S19 WeakPolarHBondContact O-CB 3.43Å; G15-S19 PolarHBondContact O-N 3.23Å
16T74.6Confident74.3Confident100 Ų100108.5 Ų108.561%0.61362%0.622SS**Hα-helixtrans-68.3-40.9179590000111.9R13 S19 H20R13-T16 PolarHBondContact O-OG1 3.05Å; T16-S19 PolarHBondContact O-N 2.89Å; T16-H20 WeakPolarHBondContact O-CB 3.38Å; T16-H20 PolarHBondContact O-N 3.46Å
17G81.6Confident76.1Confident41 Ų41110.9 Ų110.942%0.42362%0.617SS.*Hα-helixtrans-64.5-43.2176.700000113.3H20 S21G17-H20 PolarHBondContact O-N 2.9Å; G17-S21 WeakPolarHBondContact O-CB 3.35Å; G17-S21 PolarHBondContact O-N 3.36Å
18R83Confident78.2Confident171 Ų171111.9 Ų111.965%0.64560%0.604SS**Hα-helixtrans-62.4-48.2174.7-74.4178.164.7-176.1-0.2111.4S14 H20 S21 E22S14-R18 WeakPolarHBondContact O-CG 3.4Å; S14-R18 PolarHBondContact O-N 3.34Å; R18-H20 VanDerWaalsContact C-N 3.32Å; R18-H20 PolarHBondContact O-N 2.93Å; R18-S21 PolarHBondContact O-N 2.7Å; R18-S21 PolarHBondContact O-OG 3.18Å; R18-E22 WeakPolarHBondContact O-CG 3.36Å; R18-E22 PolarHBondContact O-N 3.39Å
19S90.1Very high80.7Confident74 Ų74109.4 Ų109.452%0.51759%0.588SS.*Hα-helixtrans-58.2-43.3176.1-176.90000112.1G15 T16 E22 A23G15-S19 WeakPolarHBondContact O-CB 3.43Å; G15-S19 PolarHBondContact O-N 3.23Å; T16-S19 PolarHBondContact O-N 2.89Å; S19-E22 PolarHBondContact O-N 3.38Å; S19-A23 VanDerWaalsContact O-CB 3.3Å; S19-A23 WeakPolarHBondContact O-CB 3.48Å; S19-A23 PolarHBondContact O-N 2.93Å
20H93.4Very high82.9Confident139 Ų139111.1 Ų111.164%0.64457%0.573SS**Hα-helixtrans-61.9-44.8175.6-176.771.6000112.3T16 G17 R18 E22 A23 E24T16-H20 WeakPolarHBondContact O-CB 3.38Å; T16-H20 PolarHBondContact O-N 3.46Å; G17-H20 PolarHBondContact O-N 2.9Å; R18-H20 VanDerWaalsContact C-N 3.32Å; R18-H20 PolarHBondContact O-N 2.93Å; H20-E22 VanDerWaalsContact C-N 3.35Å; H20-E22 PolarHBondContact O-N 2.92Å; H20-A23 PolarHBondContact O-N 3.41Å; H20-E24 WeakPolarHBondContact O-CB 3.3Å; H20-E24 PolarHBondContact O-N 2.91Å
21S95.4Very high85.1Confident69 Ų69109.8 Ų109.848%0.48355%0.551SS.*Hα-helixtrans-63.2-39177.774.90000112.7G17 R18 R25G17-S21 WeakPolarHBondContact O-CB 3.35Å; G17-S21 PolarHBondContact O-N 3.36Å; R18-S21 PolarHBondContact O-N 2.7Å; R18-S21 PolarHBondContact O-OG 3.18Å; S21-R25 WeakPolarHBondContact O-CB 3.44Å; S21-R25 PolarHBondContact O-N 2.84Å
22E96.3Very high86.9Confident101 Ų101107.8 Ų107.847%0.47254%0.536SS..Hα-helixtrans-70.1-41.6177.4-74176.6-173.900111.5R18 S19 H20 R25 K26R18-E22 WeakPolarHBondContact O-CG 3.36Å; R18-E22 PolarHBondContact O-N 3.39Å; S19-E22 PolarHBondContact O-N 3.38Å; H20-E22 VanDerWaalsContact C-N 3.35Å; H20-E22 PolarHBondContact O-N 2.92Å; E22-R25 PolarHBondContact O-N 3.21Å; E22-K26 WeakPolarHBondContact O-CB 3.35Å; E22-K26 PolarHBondContact O-N 3.41Å
23A96.2Very high88.9Confident58 Ų58104.5 Ų104.548%0.47952%0.521SS..Hα-helixtrans-61.7-45.5175.100000111.4S19 H20 K26 R27S19-A23 VanDerWaalsContact O-CB 3.3Å; S19-A23 WeakPolarHBondContact O-CB 3.48Å; S19-A23 PolarHBondContact O-N 2.93Å; H20-A23 PolarHBondContact O-N 3.41Å; A23-K26 PolarHBondContact O-N 3.31Å; A23-R27 PolarHBondContact O-N 2.99Å
24E97.4Very high90.9Very high55 Ų5599.1 Ų99.126%0.25751%0.506SS..Hα-helixtrans-67-40.2177.3176.655.3-164.200111.8H20 K26 R27 R28H20-E24 WeakPolarHBondContact O-CB 3.3Å; H20-E24 PolarHBondContact O-N 2.91Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.95Å; E24-R27 WeakPolarHBondContact O-CB 3.44Å; E24-R27 PolarHBondContact O-N 3.31Å; E24-R27 IonicContact OE1-NH1 3.47Å; E24-R27 IonicContact OE2-NH1 3.91Å; E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 3.37Å; E24-R28 IonicContact OE1-CZ 3.15Å; E24-R28 IonicContact OE1-NE 3.27Å; E24-R28 PolarHBondContact OE1-NE 3.45Å; E24-R28 IonicContact OE1-NH2 2.9Å; E24-R28 PolarHBondContact OE1-NH2 3.44Å
25R97.5Very high92.7Very high156 Ų15696 Ų9659%0.58948%0.482SS*.Hα-helixtrans-56.8-46.7172.2-175.9177.770.4163.8-0.9111.2S21 E22 R27 R28 Q29S21-R25 WeakPolarHBondContact O-CB 3.44Å; S21-R25 PolarHBondContact O-N 2.84Å; E22-R25 PolarHBondContact O-N 3.21Å; R25-R27 PolarHBondContact O-N 3.1Å; R25-R28 PolarHBondContact O-N 2.92Å; R25-Q29 WeakPolarHBondContact O-CG 3.45Å; R25-Q29 PolarHBondContact O-N 3.49Å
26K97.2Very high94.2Very high142 Ų14296.5 Ų96.562%0.61748%0.482SS*.Hα-helixtrans-63.6-39.3177.7-172.3175.2-176.5174.90112.1E22 A23 E24 Q29 R30E22-K26 WeakPolarHBondContact O-CB 3.35Å; E22-K26 PolarHBondContact O-N 3.41Å; A23-K26 PolarHBondContact O-N 3.31Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.95Å; K26-Q29 PolarHBondContact O-N 2.95Å; K26-R30 WeakPolarHBondContact O-CG 3.46Å; K26-R30 PolarHBondContact O-N 2.91Å; K26-R30 VanDerWaalsContact O-N 3.1Å
27R98.2Very high95.3Very high139 Ų13995.5 Ų95.553%0.52548%0.476SS..Hα-helixtrans-60-47.6174-178.9175.5173.8-84.8-3.8111.4A23 E24 R25 R30 I31A23-R27 PolarHBondContact O-N 2.99Å; E24-R27 WeakPolarHBondContact O-CB 3.44Å; E24-R27 PolarHBondContact O-N 3.31Å; E24-R27 IonicContact OE1-NH1 3.47Å; E24-R27 IonicContact OE2-NH1 3.91Å; R25-R27 PolarHBondContact O-N 3.1Å; R27-R30 PolarHBondContact O-N 3.33Å; R27-I31 HydrophobicContact CG-CD1 4.2Å; R27-I31 WeakPolarHBondContact O-CG1 3.49Å; R27-I31 PolarHBondContact O-N 3.23Å; R27-I31 VanDerWaalsContact O-N 3.11Å
28R98.1Very high96Very high153 Ų15395.8 Ų95.858%0.57747%0.467SS*.Hα-helixtrans-62.5-41.4177.4-70.2179.8-178.3-134.80.2112.8E24 R25 R30 I31 N32E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 3.37Å; E24-R28 IonicContact OE1-CZ 3.15Å; E24-R28 IonicContact OE1-NE 3.27Å; E24-R28 PolarHBondContact OE1-NE 3.45Å; E24-R28 IonicContact OE1-NH2 2.9Å; E24-R28 PolarHBondContact OE1-NH2 3.44Å; R25-R28 PolarHBondContact O-N 2.92Å; R28-R30 PolarHBondContact O-N 3.46Å; R28-I31 PolarHBondContact O-N 2.92Å; R28-N32 WeakPolarHBondContact O-CB 3.43Å; R28-N32 PolarHBondContact O-N 2.84Å
29Q98.4Very high96.6Very high109 Ų10990.7 Ų90.751%0.50945%0.448SS..Hα-helixtrans-58.4-46.5175.2-74.9171.2-7.800111.6R25 K26 I31 N32 A33R25-Q29 WeakPolarHBondContact O-CG 3.45Å; R25-Q29 PolarHBondContact O-N 3.49Å; K26-Q29 PolarHBondContact O-N 2.95Å; Q29-I31 PolarHBondContact O-N 3.3Å; Q29-N32 PolarHBondContact O-N 3.49Å; Q29-A33 WeakPolarHBondContact O-CB 3.5Å; Q29-A33 PolarHBondContact O-N 3.43Å
30R98.3Very high96.8Very high140 Ų14092.6 Ų92.653%0.52846%0.457SS..Hα-helixtrans-60.5-43.7176.4-73.2-176.358.5-111-8.3112.9K26 R27 R28 A33 H34K26-R30 WeakPolarHBondContact O-CG 3.46Å; K26-R30 PolarHBondContact O-N 2.91Å; K26-R30 VanDerWaalsContact O-N 3.1Å; R27-R30 PolarHBondContact O-N 3.33Å; R28-R30 PolarHBondContact O-N 3.46Å; R30-A33 PolarHBondContact O-N 3.11Å; R30-H34 PolarHBondContact O-CD2 3.21Å; R30-H34 VanDerWaalsContact O-CD2 3.29Å; R30-H34 PolarHBondContact O-N 3.31Å
31I98Very high96.9Very high68 Ų6891.8 Ų91.835%0.34946%0.456SS..Hα-helixtrans-63.3-46.2177.8-67.3167.9000110.6R27 R28 Q29 A33 H34 L35R27-I31 HydrophobicContact CG-CD1 4.2Å; R27-I31 WeakPolarHBondContact O-CG1 3.49Å; R27-I31 PolarHBondContact O-N 3.23Å; R27-I31 VanDerWaalsContact O-N 3.11Å; R28-I31 PolarHBondContact O-N 2.92Å; Q29-I31 PolarHBondContact O-N 3.3Å; I31-A33 VanDerWaalsContact C-N 3.29Å; I31-A33 PolarHBondContact O-N 3.02Å; I31-H34 PolarHBondContact O-N 3.37Å; I31-L35 HydrophobicContact CG2-CD1 4.15Å; I31-L35 HydrophobicContact CG2-CG 4.47Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 3.4Å
32N97.2Very high96.8Very high81 Ų8189.3 Ų89.343%0.43344%0.438SS..Hα-helixtrans-64.2-34.6178.2-72.7-21000112.1R28 Q29 L35 A36 K50R28-N32 WeakPolarHBondContact O-CB 3.43Å; R28-N32 PolarHBondContact O-N 2.84Å; Q29-N32 PolarHBondContact O-N 3.49Å; N32-L35 PolarHBondContact O-N 3.05Å; N32-A36 PolarHBondContact O-N 3.44Å; N32-K50 PolarHBondContact OD1-NZ 3.29Å
33A97.9Very high96.4Very high53 Ų5388.3 Ų88.344%0.43844%0.44SS..Hα-helixtrans-63.1-45.5172.500000111.7Q29 R30 I31 L35 A36 T37Q29-A33 WeakPolarHBondContact O-CB 3.5Å; Q29-A33 PolarHBondContact O-N 3.43Å; R30-A33 PolarHBondContact O-N 3.11Å; I31-A33 VanDerWaalsContact C-N 3.29Å; I31-A33 PolarHBondContact O-N 3.02Å; A33-L35 VanDerWaalsContact C-N 3.35Å; A33-L35 PolarHBondContact O-N 3.33Å; A33-A36 WeakPolarHBondContact O-CB 3.48Å; A33-A36 PolarHBondContact O-N 3.4Å; A33-A36 VanDerWaalsContact O-N 3.12Å; A33-T37 PolarHBondContact O-N 3.12Å; A33-T37 PolarHBondContact O-OG1 2.95Å
34H97.5Very high95.8Very high108 Ų10890 Ų9050%0.545%0.454SS..Hα-helixtrans-61.1-42.6175-66.1-174.7000112R30 I31 A36 T37 L38R30-H34 PolarHBondContact O-CD2 3.21Å; R30-H34 VanDerWaalsContact O-CD2 3.29Å; R30-H34 PolarHBondContact O-N 3.31Å; I31-H34 PolarHBondContact O-N 3.37Å; H34-A36 VanDerWaalsContact C-N 3.25Å; H34-A36 PolarHBondContact O-N 3.4Å; H34-T37 PolarHBondContact O-N 2.83Å; H34-L38 WeakPolarHBondContact O-CG 3.3Å; H34-L38 PolarHBondContact O-N 3.23Å
35L97Very high95.3Very high17 Ų1787.4 Ų87.49%0.08944%0.442CS..Hα-helixtrans-63.9-30.9175.6-66.9171.7000112.3I31 N32 A33 R39 K50 L53 L54I31-L35 HydrophobicContact CG2-CD1 4.15Å; I31-L35 HydrophobicContact CG2-CG 4.47Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 3.4Å; N32-L35 PolarHBondContact O-N 3.05Å; A33-L35 VanDerWaalsContact C-N 3.35Å; A33-L35 PolarHBondContact O-N 3.33Å; L35-R39 WeakPolarHBondContact O-CG 3.4Å; L35-R39 PolarHBondContact O-N 3.2Å; L35-R39 PolarHBondContact O-NH1 2.99Å; L35-K50 HydrophobicContact CD1-CD 3.78Å; L35-K50 HydrophobicContact CD1-CG 4.04Å; L35-L53 HydrophobicContact CB-CD2 4.34Å; L35-L53 HydrophobicContact CD2-CD2 4.01Å; L35-L54 HydrophobicContact CD2-CD2 4.39Å
36A95.7Very high94.8Very high52 Ų5284.3 Ų84.343%0.4344%0.444SS..Hα-helixtrans-69.4-44.6173.200000111N32 A33 H34 L38 R39 T40N32-A36 PolarHBondContact O-N 3.44Å; A33-A36 WeakPolarHBondContact O-CB 3.48Å; A33-A36 PolarHBondContact O-N 3.4Å; A33-A36 VanDerWaalsContact O-N 3.12Å; H34-A36 VanDerWaalsContact C-N 3.25Å; H34-A36 PolarHBondContact O-N 3.4Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 2.95Å; A36-R39 WeakPolarHBondContact O-CB 3.37Å; A36-R39 PolarHBondContact O-N 3.35Å; A36-R39 VanDerWaalsContact O-N 3.15Å; A36-T40 PolarHBondContact O-N 3.24Å
37T96.3Very high94.4Very high79 Ų7988.9 Ų88.949%0.48546%0.458SS..Hα-helixtrans-59.9-41.5174.9-540000112.4A33 H34 R39 T40 L41A33-T37 PolarHBondContact O-N 3.12Å; A33-T37 PolarHBondContact O-OG1 2.95Å; H34-T37 PolarHBondContact O-N 2.83Å; T37-R39 VanDerWaalsContact C-N 3.26Å; T37-R39 PolarHBondContact O-N 3.5Å; T37-T40 PolarHBondContact O-N 3.3Å; T37-T40 VanDerWaalsContact O-N 3.13Å; T37-T40 PolarHBondContact O-OG1 2.9Å; T37-L41 WeakPolarHBondContact O-CG 3.44Å; T37-L41 PolarHBondContact O-N 3.42Å
38L97.1Very high94.3Very high48 Ų4884.8 Ų84.825%0.25145%0.445SS..Hα-helixtrans-61.6-36.2176.5-69.7173000112.2H34 A36 T40 L41 L42 L53 L54 V57H34-L38 WeakPolarHBondContact O-CG 3.3Å; H34-L38 PolarHBondContact O-N 3.23Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 2.95Å; L38-T40 VanDerWaalsContact C-N 3.28Å; L38-T40 PolarHBondContact O-N 2.92Å; L38-L41 PolarHBondContact O-N 3.41Å; L38-L42 PolarHBondContact O-N 3.16Å; L38-L53 HydrophobicContact CB-CD1 4.38Å; L38-L53 HydrophobicContact CB-CD2 4.27Å; L38-L54 HydrophobicContact CD1-CD2 4.33Å; L38-V57 HydrophobicContact CB-CG2 4.14Å; L38-V57 HydrophobicContact CD1-CG2 4.24Å; L38-V57 HydrophobicContact CD2-CG1 4.3Å; L38-V57 HydrophobicContact CD2-CG2 4.01Å; L38-V57 HydrophobicContact CG-CG2 4.35Å
39R95.4Very high94.1Very high64 Ų6482.1 Ų82.124%0.24244%0.443CS..Hα-helixtrans-67.1-27.2176.2-72.9-174.7178.787.9-2.1113.5L35 A36 T37 L41 A45 M48 L53L35-R39 WeakPolarHBondContact O-CG 3.4Å; L35-R39 PolarHBondContact O-N 3.2Å; L35-R39 PolarHBondContact O-NH1 2.99Å; A36-R39 WeakPolarHBondContact O-CB 3.37Å; A36-R39 PolarHBondContact O-N 3.35Å; A36-R39 VanDerWaalsContact O-N 3.15Å; T37-R39 VanDerWaalsContact C-N 3.26Å; T37-R39 PolarHBondContact O-N 3.5Å; R39-L41 VanDerWaalsContact C-N 3.32Å; R39-A45 HydrophobicContact CB-CB 4.48Å; R39-A45 WeakPolarHBondContact CD-O 3.45Å; R39-A45 HydrophobicContact CG-CB 4.37Å; R39-A45 WeakPolarHBondContact CG-O 3.24Å; R39-M48 PolarHBondContact NE-O 3.28Å; R39-M48 PolarHBondContact NH2-O 3.03Å; R39-L53 HydrophobicContact CG-CD1 3.8Å; R39-L53 HydrophobicContact CG-CD2 3.81Å; R39-L53 HydrophobicContact CG-CG 4.46Å
40T95Very high94Very high114 Ų11482.2 Ų82.270%0.69944%0.441SS*.Hα-helixtrans-79.4-18.1177.762.50000112.8A36 T37 L38A36-T40 PolarHBondContact O-N 3.24Å; T37-T40 PolarHBondContact O-N 3.3Å; T37-T40 VanDerWaalsContact O-N 3.13Å; T37-T40 PolarHBondContact O-OG1 2.9Å; L38-T40 VanDerWaalsContact C-N 3.28Å; L38-T40 PolarHBondContact O-N 2.92Å
41L94.8Very high93.9Very high121 Ų12179 Ų7963%0.63444%0.444SS*.Hα-helixtrans-91.3-19.7-179.3-64.8174.6000113.3T37 L38 R39T37-L41 WeakPolarHBondContact O-CG 3.44Å; T37-L41 PolarHBondContact O-N 3.42Å; L38-L41 PolarHBondContact O-N 3.41Å; R39-L41 VanDerWaalsContact C-N 3.32Å
42L93.5Very high93.8Very high17 Ų1777.7 Ų77.79%0.08944%0.444CS..SBendtrans-105.2139.4-175.4-69.2178.1000112.2L38 A44 A45 L53 E56 V57 H60L38-L42 PolarHBondContact O-N 3.16Å; L42-A44 PolarHBondContact O-N 3.02Å; L42-A45 HydrophobicContact CB-CB 3.58Å; L42-A45 HydrophobicContact CD1-CB 4.24Å; L42-L53 HydrophobicContact CD1-CD1 3.88Å; L42-E56 HydrophobicContact CD1-CB 4.1Å; L42-E56 HydrophobicContact CD1-CG 3.8Å; L42-V57 HydrophobicContact CD1-CB 4.23Å; L42-V57 HydrophobicContact CD1-CG2 3.37Å; L42-V57 HydrophobicContact CG-CG2 4.24Å; L42-H60 HydrophobicContact CD2-CB 3.55Å; L42-H60 WeakPolarHBondContact CD2-CD2 3.16Å
43P87.2Confident93.8Very high81 Ų8173.8 Ų73.853%0.52642%0.423SS..THydrogen-bonded Turntrans-60.9135.6172.526.8-33000110.2A45P43-A45 PolarHBondContact O-N 2.94Å
44A83.7Confident93.8Very high93 Ų9375.7 Ų75.777%0.76943%0.425SS*.THydrogen-bonded Turntrans55.817.2174.400000117.3L42 S46L42-A44 PolarHBondContact O-N 3.02Å; A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 3.19Å
45A87.4Confident93.7Very high1 Ų172.7 Ų72.71%0.00842%0.424CS..G310 helixtrans-80.9-2.3-176.200000115.4R39 L42 P43 R47 M48 L53R39-A45 HydrophobicContact CB-CB 4.48Å; R39-A45 WeakPolarHBondContact CD-O 3.45Å; R39-A45 HydrophobicContact CG-CB 4.37Å; R39-A45 WeakPolarHBondContact CG-O 3.24Å; L42-A45 HydrophobicContact CB-CB 3.58Å; L42-A45 HydrophobicContact CD1-CB 4.24Å; P43-A45 PolarHBondContact O-N 2.94Å; A45-R47 PolarHBondContact O-N 2.83Å; A45-R47 VanDerWaalsContact O-N 3.15Å; A45-M48 HydrophobicContact CB-SD 3.89Å; A45-M48 PolarHBondContact O-N 3.44Å; A45-M48 VanDerWaalsContact O-N 3.16Å; A45-L53 HydrophobicContact CB-CD1 3.94Å
46S87.2Confident93.7Very high91 Ų9173.7 Ų73.764%0.63643%0.428SS*.G310 helixtrans-57.9-32.6-173.862.10000113.7A44A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 3.19Å
47R88.9Confident93.7Very high238 Ų23872.5 Ų72.590%0.89842%0.415SS*.G310 helixtrans-103.31.1-178-60.7-177.2-176.1176.41.5114.3A45A45-R47 PolarHBondContact O-N 2.83Å; A45-R47 VanDerWaalsContact O-N 3.15Å
48M95.1Very high93.8Very high52 Ų5272.2 Ų72.226%0.25641%0.413SS..  trans-69137.2179.6-70-180167.700111R39 A45 A52 L53 E56R39-M48 PolarHBondContact NE-O 3.28Å; R39-M48 PolarHBondContact NH2-O 3.03Å; A45-M48 HydrophobicContact CB-SD 3.89Å; A45-M48 PolarHBondContact O-N 3.44Å; A45-M48 VanDerWaalsContact O-N 3.16Å; M48-A52 HydrophobicContact CB-CB 4.28Å; M48-L53 HydrophobicContact CB-CB 4.2Å; M48-E56 HydrophobicContact CE-CB 4.09Å; M48-E56 HydrophobicContact CE-CG 3.86Å; M48-E56 HydrophobicContact SD-CB 3.87Å; M48-E56 HydrophobicContact SD-CG 4.04Å
49D95.5Very high93.7Very high98 Ų9875 Ų7552%0.52442%0.42SS..  trans-64.9171.2165.77383.1000110.6A51 A52 L53D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 3.29Å; D49-A51 WeakPolarHBondContact OD1-CA 3.46Å; D49-A51 WeakPolarHBondContact OD1-CB 3.43Å; D49-A51 PolarHBondContact OD1-N 3.15Å; D49-A52 PolarHBondContact OD1-N 3.22Å; D49-A52 WeakPolarHBondContact OD2-CB 3.5Å; D49-L53 VanDerWaalsContact O-CB 3.24Å; D49-L53 WeakPolarHBondContact O-CB 3.41Å; D49-L53 PolarHBondContact O-N 3.28Å
50K95.5Very high93.7Very high111 Ų11173.9 Ų73.948%0.48342%0.417SS..Hα-helixtrans-65.7-35.6-173-65.3-175.3175.4-175.50113N32 L35 L54N32-K50 PolarHBondContact OD1-NZ 3.29Å; L35-K50 HydrophobicContact CD1-CD 3.78Å; L35-K50 HydrophobicContact CD1-CG 4.04Å; K50-L54 VanDerWaalsContact O-CG 3.3Å; K50-L54 WeakPolarHBondContact O-CG 3.3Å; K50-L54 PolarHBondContact O-N 3.13Å
51A96.1Very high93.7Very high71 Ų7171.5 Ų71.559%0.58740%0.403SS*.Hα-helixtrans-75.6-46.2-179.100000110.4D49 L53 L54 G55D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 3.29Å; D49-A51 WeakPolarHBondContact OD1-CA 3.46Å; D49-A51 WeakPolarHBondContact OD1-CB 3.43Å; D49-A51 PolarHBondContact OD1-N 3.15Å; A51-L53 VanDerWaalsContact C-N 3.32Å; A51-L53 PolarHBondContact O-N 3.43Å; A51-L54 PolarHBondContact O-N 3.33Å; A51-G55 PolarHBondContact O-N 3.49Å
52A95.8Very high93.7Very high41 Ų4174.3 Ų74.334%0.33941%0.405SS..Hα-helixtrans-58.3-43.2174.900000111.9M48 D49 L54 G55 E56M48-A52 HydrophobicContact CB-CB 4.28Å; D49-A52 PolarHBondContact OD1-N 3.22Å; D49-A52 WeakPolarHBondContact OD2-CB 3.5Å; A52-L54 PolarHBondContact O-N 2.93Å; A52-G55 PolarHBondContact O-N 3.15Å; A52-E56 WeakPolarHBondContact O-CB 3.42Å; A52-E56 PolarHBondContact O-N 3.43Å
53L97.4Very high93.8Very high0 Ų077.3 Ų77.30%042%0.418CS..Hα-helixtrans-56.8-48.6176.2176.164.8000111.9L35 L38 R39 L42 A45 M48 D49 A51 G55 E56 V57L35-L53 HydrophobicContact CB-CD2 4.34Å; L35-L53 HydrophobicContact CD2-CD2 4.01Å; L38-L53 HydrophobicContact CB-CD1 4.38Å; L38-L53 HydrophobicContact CB-CD2 4.27Å; R39-L53 HydrophobicContact CG-CD1 3.8Å; R39-L53 HydrophobicContact CG-CD2 3.81Å; R39-L53 HydrophobicContact CG-CG 4.46Å; L42-L53 HydrophobicContact CD1-CD1 3.88Å; A45-L53 HydrophobicContact CB-CD1 3.94Å; M48-L53 HydrophobicContact CB-CB 4.2Å; D49-L53 VanDerWaalsContact O-CB 3.24Å; D49-L53 WeakPolarHBondContact O-CB 3.41Å; D49-L53 PolarHBondContact O-N 3.28Å; A51-L53 VanDerWaalsContact C-N 3.32Å; A51-L53 PolarHBondContact O-N 3.43Å; L53-G55 VanDerWaalsContact C-N 3.34Å; L53-G55 PolarHBondContact O-N 3.4Å; L53-E56 PolarHBondContact O-N 2.95Å; L53-V57 HydrophobicContact CD1-CG2 4.39Å; L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 3.4Å
54L97.8Very high94.1Very high93 Ų9377.3 Ų77.349%0.48741%0.414SS..Hα-helixtrans-66.2-38.3-178.9-67.4174.3000111.8L35 L38 K50 A51 A52 V57 V58L35-L54 HydrophobicContact CD2-CD2 4.39Å; L38-L54 HydrophobicContact CD1-CD2 4.33Å; K50-L54 VanDerWaalsContact O-CG 3.3Å; K50-L54 WeakPolarHBondContact O-CG 3.3Å; K50-L54 PolarHBondContact O-N 3.13Å; A51-L54 PolarHBondContact O-N 3.33Å; A52-L54 PolarHBondContact O-N 2.93Å; L54-V57 PolarHBondContact O-N 3.31Å; L54-V58 WeakPolarHBondContact O-CG2 3.27Å; L54-V58 PolarHBondContact O-N 3.16Å; L54-V58 VanDerWaalsContact O-N 3.16Å
55G96Very high94.3Very high45 Ų4578.5 Ų78.546%0.46440%0.398SS..Hα-helixtrans-60.2-45.517300000112.2A51 A52 L53 V58 R59A51-G55 PolarHBondContact O-N 3.49Å; A52-G55 PolarHBondContact O-N 3.15Å; L53-G55 VanDerWaalsContact C-N 3.34Å; L53-G55 PolarHBondContact O-N 3.4Å; G55-V58 PolarHBondContact O-N 3.4Å; G55-R59 PolarHBondContact O-N 3.33Å
56E95.9Very high94.3Very high37 Ų3780.2 Ų80.217%0.17342%0.416CS..Hα-helixtrans-65.4-40.9178.6-175.164.5-173.200112.3L42 M48 A52 L53 V58 R59 H60L42-E56 HydrophobicContact CD1-CB 4.1Å; L42-E56 HydrophobicContact CD1-CG 3.8Å; M48-E56 HydrophobicContact CE-CB 4.09Å; M48-E56 HydrophobicContact CE-CG 3.86Å; M48-E56 HydrophobicContact SD-CB 3.87Å; M48-E56 HydrophobicContact SD-CG 4.04Å; A52-E56 WeakPolarHBondContact O-CB 3.42Å; A52-E56 PolarHBondContact O-N 3.43Å; L53-E56 PolarHBondContact O-N 2.95Å; E56-V58 VanDerWaalsContact C-N 3.32Å; E56-V58 PolarHBondContact O-N 3.3Å; E56-R59 PolarHBondContact O-N 3.46Å; E56-R59 IonicContact OE1-CZ 2.84Å; E56-R59 IonicContact OE1-NE 3.37Å; E56-R59 PolarHBondContact OE1-NE 2.89Å; E56-R59 IonicContact OE1-NH2 3.48Å; E56-R59 PolarHBondContact OE1-NH2 3.09Å; E56-R59 IonicContact OE2-CZ 3.59Å; E56-R59 IonicContact OE2-NE 3.8Å; E56-R59 PolarHBondContact OE2-NE 3.26Å; E56-R59 IonicContact OE2-NH2 2.74Å; E56-H60 WeakPolarHBondContact O-CB 3.35Å; E56-H60 PolarHBondContact O-N 3.46Å
57V97.2Very high94.5Very high28 Ų2881.2 Ų81.217%0.1741%0.411CS..Hα-helixtrans-57.1-47.3174.3170.90000110.6L38 L42 L53 L54 H60 V61L38-V57 HydrophobicContact CB-CG2 4.14Å; L38-V57 HydrophobicContact CD1-CG2 4.24Å; L38-V57 HydrophobicContact CD2-CG1 4.3Å; L38-V57 HydrophobicContact CD2-CG2 4.01Å; L38-V57 HydrophobicContact CG-CG2 4.35Å; L42-V57 HydrophobicContact CD1-CB 4.23Å; L42-V57 HydrophobicContact CD1-CG2 3.37Å; L42-V57 HydrophobicContact CG-CG2 4.24Å; L53-V57 HydrophobicContact CD1-CG2 4.39Å; L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 3.4Å; L54-V57 PolarHBondContact O-N 3.31Å; V57-H60 PolarHBondContact O-N 2.99Å; V57-V61 HydrophobicContact CG1-CG2 4.4Å; V57-V61 WeakPolarHBondContact O-CB 3.3Å; V57-V61 VanDerWaalsContact O-CG2 3.27Å; V57-V61 WeakPolarHBondContact O-CG2 3.35Å; V57-V61 PolarHBondContact O-N 2.79Å
58V96.6Very high94.3Very high72 Ų7272.2 Ų72.244%0.43639%0.388SS..Hα-helixtrans-64.4-42.7179.6173.50000111.1L54 G55 E56 R62L54-V58 WeakPolarHBondContact O-CG2 3.27Å; L54-V58 PolarHBondContact O-N 3.16Å; L54-V58 VanDerWaalsContact O-N 3.16Å; G55-V58 PolarHBondContact O-N 3.4Å; E56-V58 VanDerWaalsContact C-N 3.32Å; E56-V58 PolarHBondContact O-N 3.3Å; V58-R62 VanDerWaalsContact O-CG 3.3Å; V58-R62 WeakPolarHBondContact O-CG 3.48Å; V58-R62 PolarHBondContact O-N 2.83Å; V58-R62 VanDerWaalsContact O-N 3.15Å
59R95.7Very high93.6Very high108 Ų10875.3 Ų75.341%0.40841%0.405SS..Hα-helixtrans-59.2-51.3176.4-171-162.369.267.63.8110.8G55 E56 R62 E63G55-R59 PolarHBondContact O-N 3.33Å; E56-R59 PolarHBondContact O-N 3.46Å; E56-R59 IonicContact OE1-CZ 2.84Å; E56-R59 IonicContact OE1-NE 3.37Å; E56-R59 PolarHBondContact OE1-NE 2.89Å; E56-R59 IonicContact OE1-NH2 3.48Å; E56-R59 PolarHBondContact OE1-NH2 3.09Å; E56-R59 IonicContact OE2-CZ 3.59Å; E56-R59 IonicContact OE2-NE 3.8Å; E56-R59 PolarHBondContact OE2-NE 3.26Å; E56-R59 IonicContact OE2-NH2 2.74Å; R59-R62 WeakPolarHBondContact O-CB 3.45Å; R59-R62 PolarHBondContact O-N 2.74Å; R59-E63 IonicContact CZ-OE2 3.44Å; R59-E63 IonicContact NH1-OE1 3.61Å; R59-E63 IonicContact NH1-OE2 3.01Å; R59-E63 PolarHBondContact NH1-OE2 3.42Å; R59-E63 IonicContact NH2-OE2 2.83Å; R59-E63 PolarHBondContact NH2-OE2 3.42Å; R59-E63 PolarHBondContact O-N 2.98Å
60H95.7Very high93.1Very high39 Ų3973.8 Ų73.818%0.18141%0.406CS..Hα-helixtrans-67.4-38.1-176.1-168.455.3000112.6L42 E56 V57 R62 E63 L64L42-H60 HydrophobicContact CD2-CB 3.55Å; L42-H60 WeakPolarHBondContact CD2-CD2 3.16Å; E56-H60 WeakPolarHBondContact O-CB 3.35Å; E56-H60 PolarHBondContact O-N 3.46Å; V57-H60 PolarHBondContact O-N 2.99Å; H60-R62 VanDerWaalsContact C-N 3.31Å; H60-R62 PolarHBondContact O-N 3.42Å; H60-E63 IonicContact ND1-OE2 2.73Å; H60-E63 PolarHBondContact ND1-OE2 2.95Å; H60-E63 WeakPolarHBondContact O-CB 3.47Å; H60-E63 PolarHBondContact O-N 3.19Å; H60-L64 WeakPolarHBondContact O-CB 3.47Å; H60-L64 WeakPolarHBondContact O-CG 3.25Å; H60-L64 PolarHBondContact O-N 2.96Å
61V95Very high92.4Very high65 Ų6571.6 Ų71.639%0.39441%0.409SS..Hα-helixtrans-62.3-38.9173.2169.20000111.5V57 R65V57-V61 HydrophobicContact CG1-CG2 4.4Å; V57-V61 WeakPolarHBondContact O-CB 3.3Å; V57-V61 VanDerWaalsContact O-CG2 3.27Å; V57-V61 WeakPolarHBondContact O-CG2 3.35Å; V57-V61 PolarHBondContact O-N 2.79Å; V61-R65 WeakPolarHBondContact O-CB 3.34Å; V61-R65 VanDerWaalsContact O-CG 3.24Å; V61-R65 WeakPolarHBondContact O-CG 3.24Å; V61-R65 PolarHBondContact O-N 3.25Å
62R94.8Very high91.4Very high180 Ų18069.6 Ų69.668%0.67939%0.392SS*.Hα-helixtrans-67.7-40.4176.2-72.1173.3178.3-173.9-0.2112.2V58 R59 H60 R65 G66V58-R62 VanDerWaalsContact O-CG 3.3Å; V58-R62 WeakPolarHBondContact O-CG 3.48Å; V58-R62 PolarHBondContact O-N 2.83Å; V58-R62 VanDerWaalsContact O-N 3.15Å; R59-R62 WeakPolarHBondContact O-CB 3.45Å; R59-R62 PolarHBondContact O-N 2.74Å; H60-R62 VanDerWaalsContact C-N 3.31Å; H60-R62 PolarHBondContact O-N 3.42Å; R62-R65 PolarHBondContact O-N 3.44Å; R62-G66 PolarHBondContact O-N 2.92Å
63E94.9Very high90.3Very high79 Ų7972 Ų7237%0.36941%0.412SS..Hα-helixtrans-60.3-54.7174.6177.1177.1-14600111R59 H60 R65 G66 E67R59-E63 IonicContact CZ-OE2 3.44Å; R59-E63 IonicContact NH1-OE1 3.61Å; R59-E63 IonicContact NH1-OE2 3.01Å; R59-E63 PolarHBondContact NH1-OE2 3.42Å; R59-E63 IonicContact NH2-OE2 2.83Å; R59-E63 PolarHBondContact NH2-OE2 3.42Å; R59-E63 PolarHBondContact O-N 2.98Å; H60-E63 IonicContact ND1-OE2 2.73Å; H60-E63 PolarHBondContact ND1-OE2 2.95Å; H60-E63 WeakPolarHBondContact O-CB 3.47Å; H60-E63 PolarHBondContact O-N 3.19Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.83Å; E63-G66 WeakPolarHBondContact O-CA 2.97Å; E63-G66 PolarHBondContact O-N 3.47Å; E63-E67 PolarHBondContact O-N 3.15Å
64L93.3Very high88.4Confident81 Ų8175.6 Ų75.642%0.42445%0.45SS..Hα-helixtrans-58.7-37.1178.1-71176.1000112.8H60 E67 A68H60-L64 WeakPolarHBondContact O-CB 3.47Å; H60-L64 WeakPolarHBondContact O-CG 3.25Å; H60-L64 PolarHBondContact O-N 2.96Å; L64-E67 PolarHBondContact O-N 3.19Å; L64-A68 WeakPolarHBondContact O-CB 3.49Å; L64-A68 PolarHBondContact O-N 3.36Å
65R87.6Confident86.4Confident118 Ų11873.3 Ų73.345%0.44544%0.444SS..Hα-helixtrans-63.2-47173.3-79.2174170.8-175.7-2.5111.6V61 R62 E63 E67 A68 D69 E82V61-R65 WeakPolarHBondContact O-CB 3.34Å; V61-R65 VanDerWaalsContact O-CG 3.24Å; V61-R65 WeakPolarHBondContact O-CG 3.24Å; V61-R65 PolarHBondContact O-N 3.25Å; R62-R65 PolarHBondContact O-N 3.44Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.83Å; R65-E67 VanDerWaalsContact C-N 3.33Å; R65-E67 PolarHBondContact O-N 3.35Å; R65-A68 PolarHBondContact O-N 2.67Å; R65-D69 WeakPolarHBondContact O-CB 3.46Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 2.99Å; R65-E82 IonicContact CZ-OE1 2.86Å; R65-E82 IonicContact CZ-OE2 3.28Å; R65-E82 IonicContact NE-OE1 2.81Å; R65-E82 PolarHBondContact NE-OE1 3.01Å; R65-E82 IonicContact NE-OE2 3.41Å; R65-E82 IonicContact NH2-OE1 3.87Å; R65-E82 PolarHBondContact NH2-OE1 2.91Å; R65-E82 IonicContact NH2-OE2 3.7Å; R65-E82 PolarHBondContact NH2-OE2 3.28Å
66G89.2Confident84.6Confident38 Ų3875.2 Ų75.239%0.39246%0.455SS..Hα-helixtrans-60.7-40.9176.500000112.8R62 E63 D69 A70R62-G66 PolarHBondContact O-N 2.92Å; E63-G66 WeakPolarHBondContact O-CA 2.97Å; E63-G66 PolarHBondContact O-N 3.47Å; G66-D69 PolarHBondContact O-N 3.48Å; G66-A70 WeakPolarHBondContact O-CB 3.39Å; G66-A70 PolarHBondContact O-N 3.09Å
67E89.9Confident83.1Confident111 Ų11177.8 Ų77.852%0.51947%0.473SS..Hα-helixtrans-64.8-42.6174.9-70.7178-179.900112.3E63 L64 R65 A70 A71E63-E67 PolarHBondContact O-N 3.15Å; L64-E67 PolarHBondContact O-N 3.19Å; R65-E67 VanDerWaalsContact C-N 3.33Å; R65-E67 PolarHBondContact O-N 3.35Å; E67-A70 PolarHBondContact O-N 3.45Å; E67-A71 VanDerWaalsContact O-CB 3.3Å; E67-A71 WeakPolarHBondContact O-CB 3.5Å; E67-A71 PolarHBondContact O-N 2.94Å
68A84.8Confident82Confident50 Ų5077 Ų7741%0.41347%0.47SS..Hα-helixtrans-63.9-42.7176.900000111.9L64 R65 A71 A72L64-A68 WeakPolarHBondContact O-CB 3.49Å; L64-A68 PolarHBondContact O-N 3.36Å; R65-A68 PolarHBondContact O-N 2.67Å; A68-A71 PolarHBondContact O-N 3.26Å; A68-A72 WeakPolarHBondContact O-CB 3.49Å; A68-A72 PolarHBondContact O-N 3.15Å
69D82Confident81.4Confident116 Ų11676.2 Ų76.262%0.6247%0.465SS*.Hα-helixtrans-65.2-42.6176.7-70.1-24.8000111.4R65 G66 A72 A73R65-D69 WeakPolarHBondContact O-CB 3.46Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 2.99Å; G66-D69 PolarHBondContact O-N 3.48Å; D69-A72 PolarHBondContact O-N 2.68Å; D69-A73 PolarHBondContact O-N 2.69Å
70A83.9Confident81.1Confident67 Ų6771.9 Ų71.955%0.55445%0.451SS*.Hα-helixtrans-63.5-43.3175.500000112G66 E67 A72 A73 G74G66-A70 WeakPolarHBondContact O-CB 3.39Å; G66-A70 PolarHBondContact O-N 3.09Å; E67-A70 PolarHBondContact O-N 3.45Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 3.36Å; A70-A73 PolarHBondContact O-N 3.19Å; A70-G74 PolarHBondContact O-N 2.94Å
71A81.2Confident80.5Confident64 Ų6471.4 Ų71.453%0.52946%0.456SS..Hα-helixtrans-62.8-38.2174.900000111.7E67 A68 A75E67-A71 VanDerWaalsContact O-CB 3.3Å; E67-A71 WeakPolarHBondContact O-CB 3.5Å; E67-A71 PolarHBondContact O-N 2.94Å; A68-A71 PolarHBondContact O-N 3.26Å; A71-A75 VanDerWaalsContact O-CB 3.22Å; A71-A75 WeakPolarHBondContact O-CB 3.26Å; A71-A75 PolarHBondContact O-N 3.44Å; A71-A75 VanDerWaalsContact O-N 3.15Å
72A75.2Confident79.9Confident29 Ų2974.7 Ų74.724%0.2447%0.468CS..Hα-helixtrans-71.1-31.2177.300000113.2A68 D69 A70 V79A68-A72 WeakPolarHBondContact O-CB 3.49Å; A68-A72 PolarHBondContact O-N 3.15Å; D69-A72 PolarHBondContact O-N 2.68Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 3.36Å; A72-V79 HydrophobicContact CB-CB 4.31Å; A72-V79 HydrophobicContact CB-CG2 4.28Å
73A71.9Confident79.5Confident91 Ų9167.6 Ų67.675%0.75245%0.45SS*.Hα-helixtrans-70.1-33.2176.900000112.9D69 A70D69-A73 PolarHBondContact O-N 2.69Å; A70-A73 PolarHBondContact O-N 3.19Å
74G58.6Low79.4Confident77 Ų7766.8 Ų66.879%0.79445%0.449SS*.Hα-helixtrans-91.3-16.7-179.300000115.2A70A70-G74 PolarHBondContact O-N 2.94Å
75A54.1Low79.4Confident45 Ų4567.3 Ų67.337%0.37245%0.449SS..SBendtrans-99142.7-176.700000112.2A71 V77A71-A75 VanDerWaalsContact O-CB 3.22Å; A71-A75 WeakPolarHBondContact O-CB 3.26Å; A71-A75 PolarHBondContact O-N 3.44Å; A71-A75 VanDerWaalsContact O-N 3.15Å; A75-V77 HydrophobicContact CB-CB 4.17Å; A75-V77 HydrophobicContact CB-CG2 4.38Å; A75-V77 PolarHBondContact O-N 2.98Å; A75-V77 VanDerWaalsContact O-N 3.07Å
76A58.5Low79.7Confident84 Ų8462.8 Ų62.869%0.69443%0.434SS*.SBendtrans-65.3-1.5163.600000113A78A76-A78 PolarHBondContact O-N 2.75Å
77V64.5Low79.9Confident91 Ų9161.3 Ų61.355%0.55242%0.419SS*.SBendtrans-87.6111.3-177.5-177.30000108.9A75 V79A75-V77 HydrophobicContact CB-CB 4.17Å; A75-V77 HydrophobicContact CB-CG2 4.38Å; A75-V77 PolarHBondContact O-N 2.98Å; A75-V77 VanDerWaalsContact O-N 3.07Å; V77-V79 VanDerWaalsContact C-N 3.3Å; V77-V79 HydrophobicContact CG1-CG2 4.42Å; V77-V79 PolarHBondContact O-N 2.67Å
78A75.2Confident80Confident13 Ų1356.1 Ų56.111%0.10740%0.395CS..  trans-69.678.917700000111.8A76 A140 R147 V149A76-A78 PolarHBondContact O-N 2.75Å; A78-A140 WeakPolarHBondContact O-CB 3.47Å; A78-R147 HydrophobicContact CB-CG 4.19Å; A78-V149 HydrophobicContact CB-CG2 3.63Å
79V84.2Confident80.3Confident55 Ų5558.4 Ų58.433%0.33340%0.397SS..  trans-62.4130177.9-176.50000110.4A72 V77 G81 R147A72-V79 HydrophobicContact CB-CB 4.31Å; A72-V79 HydrophobicContact CB-CG2 4.28Å; V77-V79 VanDerWaalsContact C-N 3.3Å; V77-V79 HydrophobicContact CG1-CG2 4.42Å; V77-V79 PolarHBondContact O-N 2.67Å; V79-G81 PolarHBondContact O-N 3.03Å; V79-R147 WeakPolarHBondContact O-CD 3.34Å; V79-R147 PolarHBondContact O-NH1 2.9Å
80P88.3Confident80.4Confident17 Ų1755.2 Ų55.211%0.1138%0.378CS..  trans-61.7133173.8-21.233000112.3A140 V142 R145 R147P80-A140 WeakPolarHBondContact CG-O 3.3Å; P80-V142 HydrophobicContact CG-CB 4.12Å; P80-V142 HydrophobicContact CG-CG2 4.22Å; P80-R145 HydrophobicContact CB-CB 3.92Å; P80-R145 WeakPolarHBondContact CG-O 3.4Å; P80-R147 HydrophobicContact CB-CB 4.1Å; P80-R147 HydrophobicContact CG-CB 3.98Å
81G83.5Confident79.9Confident28 Ų2853.6 Ų53.629%0.28937%0.369SS..  trans-74-174.9172.800000112.5V79 C112 R145V79-G81 PolarHBondContact O-N 3.03Å; G81-C112 PolarHBondContact N-SG 3.15Å; G81-R145 PolarHBondContact O-NH1 3.44Å
82E83.3Confident79Confident135 Ų13559.9 Ų59.963%0.63139%0.386SS*.SBendtrans-85.5-24.5176.9-62.9-171.7164.200113.5R65 R145R65-E82 IonicContact CZ-OE1 2.86Å; R65-E82 IonicContact CZ-OE2 3.28Å; R65-E82 IonicContact NE-OE1 2.81Å; R65-E82 PolarHBondContact NE-OE1 3.01Å; R65-E82 IonicContact NE-OE2 3.41Å; R65-E82 IonicContact NH2-OE1 3.87Å; R65-E82 PolarHBondContact NH2-OE1 2.91Å; R65-E82 IonicContact NH2-OE2 3.7Å; R65-E82 PolarHBondContact NH2-OE2 3.28Å; E82-R145 PolarHBondContact O-NH1 3.43Å; E82-R145 PolarHBondContact O-NH2 3.47Å
83G86.2Confident78.2Confident31 Ų3166.9 Ų66.932%0.3241%0.414SS..SBendtrans-105.5162.8-177.800000114.4R145G83-R145 VanDerWaalsContact C-NH1 3.26Å; G83-R145 VanDerWaalsContact N-NH1 3.11Å; G83-R145 PolarHBondContact O-NH1 2.87Å; G83-R145 PolarHBondContact O-NH2 2.84Å
84D93.1Very high77.5Confident62 Ų6267.9 Ų67.933%0.33240%0.403SS..  trans-75.7124.6167.4-75.55.5000108.5C112 C113 R145 L180 R183D84-C112 CarbonylContact C-O 3.51Å; D84-C112 VanDerWaalsContact CA-O 3.25Å; D84-C112 WeakPolarHBondContact CA-O 3.49Å; D84-C113 WeakPolarHBondContact OD1-CA 3.35Å; D84-R145 IonicContact OD1-CZ 2.74Å; D84-R145 IonicContact OD1-NH2 3.76Å; D84-R145 PolarHBondContact OD1-NH2 3.27Å; D84-L180 HydrophobicContact CB-CD1 4.07Å; D84-R183 IonicContact OD1-NH1 2.67Å; D84-R183 PolarHBondContact OD1-NH1 3.43Å; D84-R183 IonicContact OD2-CZ 3.35Å; D84-R183 IonicContact OD2-NH1 3.85Å; D84-R183 PolarHBondContact OD2-NH1 3.37Å
85E91.7Very high77.2Confident91 Ų9171.9 Ų71.943%0.42539%0.394SS..EExtended strand (participates in β ladder)trans-138.8141.2-173.8-66.1177.1-163.100111.1V111 C112E85-V111 CarbonylContact O-C 3.56Å; E85-V111 WeakPolarHBondContact O-CA 3.48Å; E85-C112 HydrophobicContact CB-CB 4.26Å; E85-C112 PolarHBondContact N-O 3.28Å; E85-C112 PolarHBondContact O-N 3.48Å
86V94.2Very high77.2Confident23 Ų2377.8 Ų77.814%0.13941%0.412CS..EExtended strand (participates in β ladder)trans-135.8126.4170.9177.30000109.3W110 V111 Q173 L176 R177 L180V86-W110 WeakPolarHBondContact CA-O 3.36Å; V86-V111 HydrophobicContact CG2-CG1 4.23Å; V86-V111 HydrophobicContact CG2-CG2 4.2Å; V86-Q173 HydrophobicContact CG1-CG 4.21Å; V86-L176 HydrophobicContact CG1-CB 3.72Å; V86-L176 HydrophobicContact CG1-CD1 4.39Å; V86-R177 HydrophobicContact CB-CG 4.04Å; V86-R177 HydrophobicContact CG1-CG 4.22Å; V86-R177 HydrophobicContact CG2-CG 4.18Å; V86-L180 HydrophobicContact CG2-CD1 3.47Å; V86-L180 VanDerWaalsContact CG2-CD1 3.47Å; V86-L180 HydrophobicContact CG2-CG 3.96Å
87G93Very high76.8Confident7 Ų776.2 Ų76.27%0.07240%0.395CS..EExtended strand (participates in β ladder)trans-135.9155.4172.600000112.2A109 W110G87-A109 CarbonylContact O-C 3.55Å; G87-A109 VanDerWaalsContact O-CA 3.3Å; G87-A109 WeakPolarHBondContact O-CA 3.24Å; G87-W110 VanDerWaalsContact CA-CE2 3.41Å; G87-W110 PolarHBondContact N-O 3.49Å; G87-W110 PolarHBondContact O-N 3.02Å
88V93.6Very high76Confident2 Ų281.9 Ų81.91%0.01242%0.415CS..EExtended strand (participates in β ladder)trans-136.3126.4176.9-178.70000105.7V107 R108 A109 R169 L172 Q173V88-V107 HydrophobicContact CG1-CG1 3.38Å; V88-R108 CarbonylContact C-O 3.51Å; V88-R108 WeakPolarHBondContact CA-O 3.23Å; V88-A109 HydrophobicContact CG2-CB 4.15Å; V88-R169 HydrophobicContact CB-CG 4.17Å; V88-R169 HydrophobicContact CG1-CB 4.39Å; V88-R169 HydrophobicContact CG1-CG 3.96Å; V88-R169 PolarHBondContact O-NH1 3.39Å; V88-R169 PolarHBondContact O-NH2 3.45Å; V88-L172 HydrophobicContact CG1-CD2 3.87Å; V88-L172 HydrophobicContact CG2-CD2 4.18Å; V88-L172 HydrophobicContact CG2-CG 4.18Å; V88-Q173 HydrophobicContact CG2-CB 3.82Å; V88-Q173 HydrophobicContact CG2-CG 4.08Å
89E90.7Very high75.1Confident98 Ų9884.7 Ų84.746%0.45845%0.446SS..EExtended strand (participates in β ladder)trans-120126176.5179.5179.1-165.200107.5R108 W110E89-R108 HydrophobicContact CB-CB 4.47Å; E89-R108 PolarHBondContact N-O 3.01Å; E89-R108 PolarHBondContact O-N 2.85Å; E89-R108 IonicContact OE2-NH1 2.62Å; E89-W110 HydrophobicContact CB-CH2 4.37Å; E89-W110 HydrophobicContact CB-CZ3 3.82Å
90E83.7Confident73.6Confident49 Ų4986 Ų8623%0.22947%0.471CS..EExtended strand (participates in β ladder)trans-89.6124.7-179.7-63.2-179.8142.100108.3R105 R169E90-R105 VanDerWaalsContact CD-NH1 3.26Å; E90-R105 IonicContact OE1-CZ 3.59Å; E90-R105 VanDerWaalsContact OE1-CZ 3.27Å; E90-R105 IonicContact OE1-NH1 2.67Å; E90-R105 PolarHBondContact OE1-NH1 2.88Å; E90-R105 IonicContact OE1-NH2 3.12Å; E90-R105 PolarHBondContact OE1-NH2 2.89Å; E90-R105 IonicContact OE2-CZ 3.36Å; E90-R105 IonicContact OE2-NH1 3.9Å; E90-R105 IonicContact OE2-NH2 3.23Å; E90-R105 PolarHBondContact OE2-NH2 3.3Å; E90-R169 HydrophobicContact CG-CB 4.19Å; E90-R169 WeakPolarHBondContact OE1-CB 3.4Å
91G74Confident72.1Confident34 Ų3492.7 Ų92.735%0.35150%0.5SS..PPolyproline II helixtrans-72.1149171.800000110.7R106G91-R106 PolarHBondContact N-O 2.73Å
92H61.7Low70.8Confident195 Ų19597.7 Ų97.790%0.90351%0.51SS*.SBendtrans-78.3137161.1-72.9-46.8000109.4
93Q58.2Low69.9Low176 Ų17692.2 Ų92.282%0.82249%0.488SS*.  trans94121167-108.7161.52200120.2
94H56.2Low69.1Low112 Ų11291.6 Ų91.652%0.51948%0.48SS..  trans-43.6121.4155.9-91.9-159.7000111.6A103H94-A103 HydrophobicContact CB-CB 3.52Å; H94-A103 WeakPolarHBondContact CE1-CB 3.32Å; H94-A103 WeakPolarHBondContact ND1-CB 3.36Å
95R53.6Low68.6Low161 Ų16191.6 Ų91.661%0.60848%0.475SS*.BIsolated β-bridgetrans-82114.3150.8-168.9178.7-67.5-177.5-2.2105.9C97 A103R95-C97 PolarHBondContact O-N 3.27Å; R95-C97 VanDerWaalsContact O-N 3.1Å; R95-A103 VanDerWaalsContact O-CA 3.24Å; R95-A103 WeakPolarHBondContact O-CA 3.27Å; R95-A103 WeakPolarHBondContact O-CB 3.5Å
96F54.2Low68.5Low169 Ų16990.3 Ų90.374%0.74147%0.466SS*.  trans-60.4114.6161.4-68.4-83.1000106.3H98F96-H98 PolarHBondContact O-N 3.4Å
97C49.3Very low68.3Low52 Ų5289.2 Ų89.235%0.35146%0.46SS..  trans-61.3126.3170-57.20000106.4R95 G99 G100 E101R95-C97 PolarHBondContact O-N 3.27Å; R95-C97 VanDerWaalsContact O-N 3.1Å; C97-G99 PolarHBondContact O-N 2.74Å; C97-G100 PolarHBondContact O-N 3.22Å; C97-E101 HydrophobicContact CB-CB 4.48Å; C97-E101 WeakPolarHBondContact CB-O 3.39Å
98H48.1Very low68.3Low210 Ų21093.9 Ų93.997%0.97248%0.475SS*.THydrogen-bonded Turntrans-57.5108.8172.1-123.1-24.5000107F96F96-H98 PolarHBondContact O-N 3.4Å
99G55.4Low68.3Low72 Ų7293.8 Ų93.874%0.74248%0.475SS*.THydrogen-bonded Turntrans1353.4-176.200000116.6C97 E101C97-G99 PolarHBondContact O-N 2.74Å; G99-E101 PolarHBondContact O-N 2.91Å
100G52.9Low68.5Low83 Ų8391.9 Ų91.986%0.85646%0.464SS*.SBendtrans77.6-1176.100000114.3C97C97-G100 PolarHBondContact O-N 3.22Å
101E56.9Low69Low156 Ų15689.6 Ų89.673%0.72945%0.453SS*.  trans-75.6129.8169-79.6-179.2159.200110.5C97 G99 A103C97-E101 HydrophobicContact CB-CB 4.48Å; C97-E101 WeakPolarHBondContact CB-O 3.39Å; G99-E101 PolarHBondContact O-N 2.91Å; E101-A103 PolarHBondContact O-N 2.86Å
102R56.5Low69.9Low134 Ų13488 Ų8851%0.50644%0.436SS..  trans-27128.6178.2-74.8156.3159-104.5-35.1113.5A104 G156 H158R102-A104 PolarHBondContact O-N 3.28Å; R102-A104 VanDerWaalsContact O-N 3.14Å; R102-G156 PolarHBondContact NH1-O 3.24Å; R102-H158 VanDerWaalsContact CZ-CE1 3.42Å; R102-H158 PolarHBondContact NE-NE2 2.95Å; R102-H158 VanDerWaalsContact NE-NE2 3.17Å; R102-H158 PolarHBondContact NH1-CD2 2.81Å; R102-H158 PolarHBondContact NH2-CD2 3.01Å; R102-H158 PolarHBondContact NH2-CE1 3.24Å; R102-H158 PolarHBondContact NH2-ND1 2.93Å; R102-H158 PolarHBondContact NH2-NE2 3.39Å
103A63.5Low71.5Confident19 Ų1979 Ų7916%0.15740%0.395CS..PPolyproline II helixtrans-61.8119.5176.600000111.2H94 R95 E101H94-A103 HydrophobicContact CB-CB 3.52Å; H94-A103 WeakPolarHBondContact CE1-CB 3.32Å; H94-A103 WeakPolarHBondContact ND1-CB 3.36Å; R95-A103 VanDerWaalsContact O-CA 3.24Å; R95-A103 WeakPolarHBondContact O-CA 3.27Å; R95-A103 WeakPolarHBondContact O-CB 3.5Å; E101-A103 PolarHBondContact O-N 2.86Å
104A71Confident73.2Confident19 Ų1972 Ų7216%0.15737%0.367CS..BIsolated β-bridgetrans-73.9141.5174.100000109.6R102 D153R102-A104 PolarHBondContact O-N 3.28Å; R102-A104 VanDerWaalsContact O-N 3.14Å; A104-D153 HydrophobicContact CB-CB 3.98Å
105R83Confident74.9Confident61 Ų6170.5 Ų70.523%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-84.5124.6173.9-174179.7-168.7-160.40.1109.1E90 V107 D153 V154 S165E90-R105 VanDerWaalsContact CD-NH1 3.26Å; E90-R105 IonicContact OE1-CZ 3.59Å; E90-R105 VanDerWaalsContact OE1-CZ 3.27Å; E90-R105 IonicContact OE1-NH1 2.67Å; E90-R105 PolarHBondContact OE1-NH1 2.88Å; E90-R105 IonicContact OE1-NH2 3.12Å; E90-R105 PolarHBondContact OE1-NH2 2.89Å; E90-R105 IonicContact OE2-CZ 3.36Å; E90-R105 IonicContact OE2-NH1 3.9Å; E90-R105 IonicContact OE2-NH2 3.23Å; E90-R105 PolarHBondContact OE2-NH2 3.3Å; R105-V107 HydrophobicContact CG-CG2 4.41Å; R105-D153 WeakPolarHBondContact O-CA 3.22Å; R105-V154 PolarHBondContact N-O 2.64Å; R105-V154 PolarHBondContact O-N 2.93Å; R105-S165 PolarHBondContact NH1-O 2.74Å
106R88Confident76.7Confident64 Ų6464.7 Ų64.724%0.24234%0.341CS..EExtended strand (participates in β ladder)trans-85.3131.8173.8-172.9157.1-68.5-150.42.2111.3G91 E151 L152 D153G91-R106 PolarHBondContact N-O 2.73Å; R106-E151 IonicContact CZ-OE2 2.69Å; R106-E151 IonicContact NH1-OE2 2.87Å; R106-E151 PolarHBondContact NH1-OE2 2.94Å; R106-L152 CarbonylContact C-O 3.58Å; R106-L152 WeakPolarHBondContact CA-O 3.31Å; R106-D153 IonicContact CZ-OD1 3.34Å; R106-D153 IonicContact NE-OD1 3.83Å; R106-D153 PolarHBondContact NE-OD1 3.21Å; R106-D153 IonicContact NH2-OD1 3.36Å; R106-D153 PolarHBondContact NH2-OD1 3.39Å; R106-D153 IonicContact NH2-OD2 3.78Å
107V91.6Very high78.5Confident1 Ų162.1 Ų62.11%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-130.3135.8179.7179.60000108.4V88 R105 L152 V154 L172V88-V107 HydrophobicContact CG1-CG1 3.38Å; R105-V107 HydrophobicContact CG-CG2 4.41Å; V107-L152 PolarHBondContact N-O 2.89Å; V107-L152 PolarHBondContact O-N 3.32Å; V107-V154 HydrophobicContact CB-CG2 4.35Å; V107-V154 HydrophobicContact CG2-CG2 3.81Å; V107-L172 HydrophobicContact CG1-CD2 3.84Å
108R92.6Very high80.6Confident104 Ų10461.5 Ų61.539%0.39234%0.344SS..EExtended strand (participates in β ladder)trans-99.9130170.9-175.1172.3179.9-101.91.6108.5V88 E89 V149 L150V88-R108 CarbonylContact C-O 3.51Å; V88-R108 WeakPolarHBondContact CA-O 3.23Å; E89-R108 HydrophobicContact CB-CB 4.47Å; E89-R108 PolarHBondContact N-O 3.01Å; E89-R108 PolarHBondContact O-N 2.85Å; E89-R108 IonicContact OE2-NH1 2.62Å; R108-V149 HydrophobicContact CG-CG1 4.26Å; R108-L150 CarbonylContact C-O 3.58Å; R108-L150 WeakPolarHBondContact CA-O 3.4Å
109A93.7Very high82.7Confident0 Ų051.7 Ų51.70%030%0.299CS..EExtended strand (participates in β ladder)trans-129153176.400000109.9G87 V88 V149 L150 L152 L172 L176G87-A109 CarbonylContact O-C 3.55Å; G87-A109 VanDerWaalsContact O-CA 3.3Å; G87-A109 WeakPolarHBondContact O-CA 3.24Å; V88-A109 HydrophobicContact CG2-CB 4.15Å; A109-V149 CarbonylContact O-C 3.52Å; A109-V149 WeakPolarHBondContact O-CA 3.26Å; A109-L150 PolarHBondContact N-O 2.8Å; A109-L150 PolarHBondContact O-N 2.87Å; A109-L152 HydrophobicContact CB-CD1 4.35Å; A109-L172 HydrophobicContact CB-CD2 4.29Å; A109-L176 HydrophobicContact CB-CD1 3.76Å
110W94Very high84.5Confident59 Ų5952.2 Ų52.222%0.22328%0.283CS..EExtended strand (participates in β ladder)trans-137.6146.8171.662.593.8000111.4V86 G87 E89 S148 V149V86-W110 WeakPolarHBondContact CA-O 3.36Å; G87-W110 VanDerWaalsContact CA-CE2 3.41Å; G87-W110 PolarHBondContact N-O 3.49Å; G87-W110 PolarHBondContact O-N 3.02Å; E89-W110 HydrophobicContact CB-CH2 4.37Å; E89-W110 HydrophobicContact CB-CZ3 3.82Å; W110-S148 CarbonylContact C-O 3.57Å; W110-S148 WeakPolarHBondContact CA-O 3.34Å; W110-V149 HydrophobicContact CB-CG2 4.08Å
111V94.5Very high86.5Confident1 Ų151.5 Ų51.51%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-132.5128.1173.9-1790000107.7E85 V86 L123 R147 S148 L176 L180E85-V111 CarbonylContact O-C 3.56Å; E85-V111 WeakPolarHBondContact O-CA 3.48Å; V86-V111 HydrophobicContact CG2-CG1 4.23Å; V86-V111 HydrophobicContact CG2-CG2 4.2Å; V111-L123 HydrophobicContact CB-CD2 4.14Å; V111-L123 HydrophobicContact CG1-CD2 4.17Å; V111-L123 HydrophobicContact CG2-CD2 3.87Å; V111-R147 CarbonylContact O-C 3.52Å; V111-R147 VanDerWaalsContact O-CA 3.29Å; V111-R147 WeakPolarHBondContact O-CA 3.46Å; V111-S148 PolarHBondContact N-O 2.91Å; V111-S148 PolarHBondContact O-N 3.17Å; V111-L176 HydrophobicContact CG2-CB 3.96Å; V111-L176 HydrophobicContact CG2-CD1 4.01Å; V111-L176 HydrophobicContact CG2-CD2 3.98Å; V111-L176 HydrophobicContact CG2-CG 4.2Å; V111-L180 HydrophobicContact CG1-CD2 3.93Å
112C93.8Very high88.4Confident0 Ų045.2 Ų45.20%024%0.235CC..EExtended strand (participates in β ladder)trans-121.8127.1171.3-176.10000108.4G81 D84 E85 T146 R147G81-C112 PolarHBondContact N-SG 3.15Å; D84-C112 CarbonylContact C-O 3.51Å; D84-C112 VanDerWaalsContact CA-O 3.25Å; D84-C112 WeakPolarHBondContact CA-O 3.49Å; E85-C112 HydrophobicContact CB-CB 4.26Å; E85-C112 PolarHBondContact N-O 3.28Å; E85-C112 PolarHBondContact O-N 3.48Å; C112-T146 WeakPolarHBondContact CA-O 3.32Å; C112-R147 HydrophobicContact CB-CB 4.37Å; C112-R147 HydrophobicContact CB-CG 4.27Å
113C94.3Very high90.2Very high6 Ų639.2 Ų39.24%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-158.7176-177.764.80000112.3D84 R145 T146 L180D84-C113 WeakPolarHBondContact OD1-CA 3.35Å; C113-R145 CarbonylContact O-C 3.53Å; C113-R145 VanDerWaalsContact O-CA 3.24Å; C113-R145 WeakPolarHBondContact O-CA 3.3Å; C113-R145 WeakPolarHBondContact O-CB 3.06Å; C113-T146 PolarHBondContact N-O 3.46Å; C113-T146 PolarHBondContact O-N 3.39Å; C113-L180 HydrophobicContact CB-CD2 3.35Å
114A93.2Very high91.8Very high28 Ų2839.3 Ų39.323%0.23122%0.216CC..EExtended strand (participates in β ladder)trans-63.9136.8167.700000110.8G144A114-G144 WeakPolarHBondContact CA-O 3.33Å
115D92.4Very high92.9Very high81 Ų8145 Ų4543%0.43323%0.233SC..  trans-67.6142175.1-168.127.1000110.4T141 G144 T146D115-T141 HydrophobicContact CB-CG2 4.2Å; D115-G144 PolarHBondContact N-O 2.87Å; D115-T146 VanDerWaalsContact CB-OG1 3.26Å; D115-T146 WeakPolarHBondContact CB-OG1 3.44Å; D115-T146 VanDerWaalsContact CG-OG1 3.27Å; D115-T146 PolarHBondContact OD1-OG1 2.89Å
116R92.2Very high93.5Very high40 Ų4042.4 Ų42.415%0.15123%0.225CC..  trans-160.1152.2-17861.8-177.1-177.1110.6-15.9112.5G118 L119 E122 V179 S182R116-G118 PolarHBondContact O-N 3.27Å; R116-L119 HydrophobicContact CG-CB 3.95Å; R116-L119 WeakPolarHBondContact O-CB 3.37Å; R116-L119 PolarHBondContact O-N 3Å; R116-E122 IonicContact CZ-OE1 3.27Å; R116-E122 IonicContact CZ-OE2 2.91Å; R116-E122 IonicContact NE-OE2 2.68Å; R116-E122 VanDerWaalsContact NH1-CD 3.25Å; R116-E122 IonicContact NH1-OE1 3.24Å; R116-E122 PolarHBondContact NH1-OE1 3.25Å; R116-E122 IonicContact NH1-OE2 3.91Å; R116-E122 PolarHBondContact NH1-OE2 2.95Å; R116-E122 VanDerWaalsContact NH2-CD 3.34Å; R116-E122 IonicContact NH2-OE1 2.71Å; R116-E122 PolarHBondContact NH2-OE1 3.44Å; R116-E122 IonicContact NH2-OE2 3.28Å; R116-E122 PolarHBondContact NH2-OE2 2.78Å; R116-V179 PolarHBondContact NH2-O 2.94Å; R116-S182 PolarHBondContact NH2-OG 3.4Å
117P91.6Very high93.8Very high114 Ų11439.8 Ų39.874%0.7422%0.216SC*.THydrogen-bonded Turntrans-57.6136.5172.825.6-34.8000110.2L119P117-L119 VanDerWaalsContact C-N 3.31Å; P117-L119 PolarHBondContact O-N 3.4Å
118G92.7Very high93.9Very high40 Ų4047.6 Ų47.641%0.41225%0.246SC..THydrogen-bonded Turntrans84-9.317900000115.5R116 M120 S121 E122R116-G118 PolarHBondContact O-N 3.27Å; G118-M120 VanDerWaalsContact C-N 3.29Å; G118-M120 PolarHBondContact O-N 2.97Å; G118-M120 VanDerWaalsContact O-N 3.16Å; G118-S121 WeakPolarHBondContact O-CA 3.44Å; G118-S121 WeakPolarHBondContact O-CB 3.4Å; G118-S121 PolarHBondContact O-N 3.43Å; G118-S121 PolarHBondContact O-OG 3.32Å; G118-E122 WeakPolarHBondContact O-CG 3.34Å; G118-E122 PolarHBondContact O-N 3.5Å
119L93.5Very high94Very high3 Ų346.5 Ų46.52%0.01625%0.254CS..Hα-helixtrans-50-47.1-178.1179.463.2000112.7R116 P117 S121 E122 L123 T146 V179R116-L119 HydrophobicContact CG-CB 3.95Å; R116-L119 WeakPolarHBondContact O-CB 3.37Å; R116-L119 PolarHBondContact O-N 3Å; P117-L119 VanDerWaalsContact C-N 3.31Å; P117-L119 PolarHBondContact O-N 3.4Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 2.95Å; L119-E122 PolarHBondContact O-N 2.91Å; L119-L123 HydrophobicContact CD1-CD1 4.45Å; L119-L123 HydrophobicContact CD1-CG 4.38Å; L119-L123 HydrophobicContact CG-CD1 4.18Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.92Å; L119-T146 HydrophobicContact CD2-CG2 4.1Å; L119-V179 HydrophobicContact CD1-CG1 3.83Å
120M93.4Very high93.9Very high84 Ų8448.1 Ų48.141%0.41426%0.264SS..Hα-helixtrans-63.5-35.7179.1-63-55.411200112.8G118 L123 G124 I139 T146G118-M120 VanDerWaalsContact C-N 3.29Å; G118-M120 PolarHBondContact O-N 2.97Å; G118-M120 VanDerWaalsContact O-N 3.16Å; M120-L123 HydrophobicContact CE-CD1 3.76Å; M120-L123 HydrophobicContact SD-CD1 4.22Å; M120-G124 PolarHBondContact O-N 2.84Å; M120-I139 HydrophobicContact SD-CD1 3.55Å; M120-I139 VanDerWaalsContact SD-CD1 3.55Å; M120-I139 HydrophobicContact SD-CG1 4.48Å; M120-T146 HydrophobicContact CE-CG2 3.99Å
121S95Very high93.7Very high67 Ų6748.6 Ų48.647%0.46928%0.276SS..Hα-helixtrans-69.7-36.4177.5770000111.9G118 L119 R125G118-S121 WeakPolarHBondContact O-CA 3.44Å; G118-S121 WeakPolarHBondContact O-CB 3.4Å; G118-S121 PolarHBondContact O-N 3.43Å; G118-S121 PolarHBondContact O-OG 3.32Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 2.95Å; S121-R125 WeakPolarHBondContact O-CB 3.33Å; S121-R125 PolarHBondContact O-N 3.49Å
122E95.6Very high93.5Very high25 Ų2549 Ų4912%0.11728%0.28CS..Hα-helixtrans-72.3-42.8177.2-60.9174.2143.900111.4R116 G118 L119 G124 R125 A126 V179R116-E122 IonicContact CZ-OE1 3.27Å; R116-E122 IonicContact CZ-OE2 2.91Å; R116-E122 IonicContact NE-OE2 2.68Å; R116-E122 VanDerWaalsContact NH1-CD 3.25Å; R116-E122 IonicContact NH1-OE1 3.24Å; R116-E122 PolarHBondContact NH1-OE1 3.25Å; R116-E122 IonicContact NH1-OE2 3.91Å; R116-E122 PolarHBondContact NH1-OE2 2.95Å; R116-E122 VanDerWaalsContact NH2-CD 3.34Å; R116-E122 IonicContact NH2-OE1 2.71Å; R116-E122 PolarHBondContact NH2-OE1 3.44Å; R116-E122 IonicContact NH2-OE2 3.28Å; R116-E122 PolarHBondContact NH2-OE2 2.78Å; G118-E122 WeakPolarHBondContact O-CG 3.34Å; G118-E122 PolarHBondContact O-N 3.5Å; L119-E122 PolarHBondContact O-N 2.91Å; E122-G124 VanDerWaalsContact C-N 3.35Å; E122-R125 PolarHBondContact O-N 2.95Å; E122-A126 WeakPolarHBondContact O-CB 3.48Å; E122-A126 PolarHBondContact O-N 3.49Å; E122-V179 HydrophobicContact CB-CG1 3.88Å; E122-V179 HydrophobicContact CB-CG2 4.28Å
123L95.4Very high93.4Very high7 Ų757.3 Ų57.34%0.03731%0.311CS..Hα-helixtrans-58.2-47.9171.1-72.1174.6000110.8V111 L119 M120 R125 A126 V127 L176 V179V111-L123 HydrophobicContact CB-CD2 4.14Å; V111-L123 HydrophobicContact CG1-CD2 4.17Å; V111-L123 HydrophobicContact CG2-CD2 3.87Å; L119-L123 HydrophobicContact CD1-CD1 4.45Å; L119-L123 HydrophobicContact CD1-CG 4.38Å; L119-L123 HydrophobicContact CG-CD1 4.18Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.92Å; M120-L123 HydrophobicContact CE-CD1 3.76Å; M120-L123 HydrophobicContact SD-CD1 4.22Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 2.65Å; L123-A126 PolarHBondContact O-N 3.41Å; L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 3.37Å; L123-L176 HydrophobicContact CD2-CD2 4.03Å; L123-V179 HydrophobicContact CD2-CB 4.46Å; L123-V179 HydrophobicContact CD2-CG1 4.12Å; L123-V179 HydrophobicContact CD2-CG2 4.36Å; L123-V179 HydrophobicContact CG-CG1 4.36Å
124G95.6Very high93.3Very high21 Ų2159.5 Ų59.522%0.21633%0.329CS..Hα-helixtrans-60-40.2175.600000112.6M120 E122 R128M120-G124 PolarHBondContact O-N 2.84Å; E122-G124 VanDerWaalsContact C-N 3.35Å; G124-R128 WeakPolarHBondContact O-CB 3.29Å; G124-R128 WeakPolarHBondContact O-CG 3.39Å; G124-R128 PolarHBondContact O-N 3.21Å; G124-R128 PolarHBondContact O-NH1 2.89Å
125R95.6Very high93.3Very high138 Ų13860.6 Ų60.652%0.52133%0.333SS..Hα-helixtrans-65.6-43.1175.5-177.2172.864.1-1253.2111.7S121 E122 L123 R128 S129S121-R125 WeakPolarHBondContact O-CB 3.33Å; S121-R125 PolarHBondContact O-N 3.49Å; E122-R125 PolarHBondContact O-N 2.95Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 2.65Å; R125-R128 PolarHBondContact O-N 2.9Å; R125-S129 WeakPolarHBondContact O-CB 3.41Å; R125-S129 PolarHBondContact O-N 3.16Å
126A95.3Very high93.3Very high8 Ų862.9 Ų62.97%0.06634%0.336CS..Hα-helixtrans-61.5-46.6176.600000111.6E122 L123 R128 S129 A175 L176 V179E122-A126 WeakPolarHBondContact O-CB 3.48Å; E122-A126 PolarHBondContact O-N 3.49Å; L123-A126 PolarHBondContact O-N 3.41Å; A126-R128 PolarHBondContact O-N 3.23Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-S129 PolarHBondContact O-OG 3.41Å; A126-A175 HydrophobicContact CB-CB 4.15Å; A126-A175 WeakPolarHBondContact CB-O 3.27Å; A126-L176 HydrophobicContact CB-CD2 4.2Å; A126-V179 HydrophobicContact CB-CG2 3.71Å
127V94.8Very high93.4Very high9 Ų963.6 Ų63.66%0.05535%0.351CS..Hα-helixtrans-60.8-46.1176.1170.80000111.3L123 S129 V130 A132 L150 L152 L176L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 3.37Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.18Å; V127-V130 VanDerWaalsContact O-CG2 3.26Å; V127-V130 WeakPolarHBondContact O-CG2 3.36Å; V127-V130 PolarHBondContact O-N 2.81Å; V127-A132 HydrophobicContact CG1-CB 3.97Å; V127-A132 WeakPolarHBondContact CG1-O 3.2Å; V127-A132 PolarHBondContact O-N 2.84Å; V127-L150 HydrophobicContact CG2-CD1 3.97Å; V127-L152 HydrophobicContact CG1-CD1 4.37Å; V127-L152 HydrophobicContact CG1-CD2 3.76Å; V127-L152 HydrophobicContact CG2-CD1 4.13Å; V127-L152 HydrophobicContact CG2-CD2 4.08Å; V127-L176 HydrophobicContact CG2-CD2 4.4Å
128R93.7Very high93.4Very high165 Ų16560.7 Ų60.762%0.62333%0.327SS*.Hα-helixtrans-65-33.4176.9-72.6-172.5-60.1-87.72.5113G124 R125 A126 V130 S131G124-R128 WeakPolarHBondContact O-CB 3.29Å; G124-R128 WeakPolarHBondContact O-CG 3.39Å; G124-R128 PolarHBondContact O-N 3.21Å; G124-R128 PolarHBondContact O-NH1 2.89Å; R125-R128 PolarHBondContact O-N 2.9Å; A126-R128 PolarHBondContact O-N 3.23Å; R128-V130 PolarHBondContact O-N 3.03Å; R128-S131 PolarHBondContact O-N 3.37Å
129S93.9Very high93.5Very high81 Ų8163 Ų6357%0.56633%0.329SS*.Hα-helixtrans-61.5-25.2-178.976.10000113.4R125 A126 V127R125-S129 WeakPolarHBondContact O-CB 3.41Å; R125-S129 PolarHBondContact O-N 3.16Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-S129 PolarHBondContact O-OG 3.41Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.18Å
130V92.1Very high93.4Very high34 Ų3463.8 Ų63.821%0.20634%0.336CS..THydrogen-bonded Turntrans-103.417.1177.4-60.60000112.9V127 R128 A132 A171 L172 A175V127-V130 VanDerWaalsContact O-CG2 3.26Å; V127-V130 WeakPolarHBondContact O-CG2 3.36Å; V127-V130 PolarHBondContact O-N 2.81Å; R128-V130 PolarHBondContact O-N 3.03Å; V130-A132 HydrophobicContact CG2-CB 3.9Å; V130-A132 PolarHBondContact O-N 2.86Å; V130-A132 VanDerWaalsContact O-N 3.15Å; V130-A171 HydrophobicContact CG1-CB 4.13Å; V130-L172 HydrophobicContact CG2-CB 4.31Å; V130-L172 HydrophobicContact CG2-CD1 3.81Å; V130-A175 HydrophobicContact CG1-CB 3.94Å
131S89.3Confident93.4Very high69 Ų6963.2 Ų63.248%0.48334%0.337SS..THydrogen-bonded Turntrans5530.2-178.3-56.50000113.6R128R128-S131 PolarHBondContact O-N 3.37Å
132A90.9Very high93.3Very high9 Ų964.2 Ų64.27%0.07434%0.34CS..EExtended strand (participates in β ladder)trans-93.7150.5172.100000110.4V127 V130 L152 D153 V154V127-A132 HydrophobicContact CG1-CB 3.97Å; V127-A132 WeakPolarHBondContact CG1-O 3.2Å; V127-A132 PolarHBondContact O-N 2.84Å; V130-A132 HydrophobicContact CG2-CB 3.9Å; V130-A132 PolarHBondContact O-N 2.86Å; V130-A132 VanDerWaalsContact O-N 3.15Å; A132-L152 HydrophobicContact CB-CB 4.4Å; A132-L152 HydrophobicContact CB-CD1 4.4Å; A132-D153 CarbonylContact C-O 3.53Å; A132-D153 WeakPolarHBondContact CA-O 3.34Å; A132-V154 HydrophobicContact CB-CG2 4.07Å
133R91.8Very high93Very high174 Ų17467 Ų6766%0.65738%0.375SS*.EExtended strand (participates in β ladder)trans-118.3124175.6176.4179.7172.2-131.41.4109.3V135 L152 D153R133-V135 PolarHBondContact O-N 2.97Å; R133-L152 CarbonylContact O-C 3.48Å; R133-L152 VanDerWaalsContact O-CA 3.3Å; R133-L152 WeakPolarHBondContact O-CA 3.41Å; R133-D153 PolarHBondContact N-O 3.36Å; R133-D153 PolarHBondContact O-N 2.91Å
134A92.4Very high92.8Very high52 Ų5268.8 Ų68.843%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-70.2125.8171.700000110.6E151 L152A134-E151 WeakPolarHBondContact CA-O 3.36Å; A134-L152 VanDerWaalsContact CA-CD2 3.49Å; A134-L152 HydrophobicContact CB-CD2 3.63Å
135V93Very high92.7Very high52 Ų5270 Ų7032%0.31539%0.394SS..EExtended strand (participates in β ladder)trans-104.5-26.3176.8-69.70000112.2R133 E151 D153R133-V135 PolarHBondContact O-N 2.97Å; V135-E151 HydrophobicContact CG2-CB 3.66Å; V135-E151 WeakPolarHBondContact CG2-O 3.39Å; V135-E151 PolarHBondContact N-O 3Å; V135-D153 HydrophobicContact CG1-CB 4.23Å; V135-D153 VanDerWaalsContact CG1-OD2 3.27Å; V135-D153 WeakPolarHBondContact CG1-OD2 3.19Å
136R91.9Very high92.6Very high128 Ų12863.5 Ų63.548%0.48337%0.369SS..EExtended strand (participates in β ladder)trans-148.1142.6171.7-174.1-174.7178.91773.8108.5E138 E151R136-E138 IonicContact CZ-OE1 3.52Å; R136-E138 IonicContact NE-OE1 3.92Å; R136-E138 PolarHBondContact NE-OE1 3.31Å; R136-E138 IonicContact NH2-OE1 3.61Å; R136-E138 PolarHBondContact NH2-OE1 3.45Å; R136-E151 HydrophobicContact CB-CB 4Å; R136-E151 HydrophobicContact CB-CG 4.19Å; R136-E151 WeakPolarHBondContact CD-OE1 3.07Å; R136-E151 PolarHBondContact N-O 2.98Å; R136-E151 IonicContact NH1-OE1 3.27Å; R136-E151 PolarHBondContact NH1-OE1 3.32Å; R136-E151 PolarHBondContact O-N 3.41Å
137A93.7Very high92.5Very high56 Ų5666 Ų6646%0.46338%0.377SS..EExtended strand (participates in β ladder)trans-135.3127.1171.800000108.5V149 L150A137-V149 CarbonylContact C-O 3.56Å; A137-V149 WeakPolarHBondContact CA-O 3.24Å; A137-L150 HydrophobicContact CB-CD2 3.57Å
138E92.9Very high92.5Very high52 Ų5265.6 Ų65.624%0.24338%0.375CS..EExtended strand (participates in β ladder)trans-109.6127169.1-65.8179.8165.300107.8R136 S148 V149R136-E138 IonicContact CZ-OE1 3.52Å; R136-E138 IonicContact NE-OE1 3.92Å; R136-E138 PolarHBondContact NE-OE1 3.31Å; R136-E138 IonicContact NH2-OE1 3.61Å; R136-E138 PolarHBondContact NH2-OE1 3.45Å; E138-S148 CarbonylContact O-C 3.58Å; E138-S148 WeakPolarHBondContact O-CA 3.13Å; E138-V149 HydrophobicContact CB-CB 4.39Å; E138-V149 PolarHBondContact N-O 3.41Å; E138-V149 PolarHBondContact O-N 3.28Å
139I93.6Very high92.5Very high90 Ų9058.1 Ų58.146%0.46235%0.348SS..EExtended strand (participates in β ladder)trans-129.1128.2-176.5-57.9165.3000107.6M120 T146 R147M120-I139 HydrophobicContact SD-CD1 3.55Å; M120-I139 VanDerWaalsContact SD-CD1 3.55Å; M120-I139 HydrophobicContact SD-CG1 4.48Å; I139-T146 HydrophobicContact CG2-CG2 3.65Å; I139-R147 WeakPolarHBondContact CA-O 3.36Å
140A92.6Very high92.5Very high18 Ų1854.9 Ų54.915%0.14932%0.324CS..EExtended strand (participates in β ladder)trans-125.6139.7168.400000109.5A78 P80 T146 R147A78-A140 WeakPolarHBondContact O-CB 3.47Å; P80-A140 WeakPolarHBondContact CG-O 3.3Å; A140-T146 CarbonylContact O-C 3.53Å; A140-T146 WeakPolarHBondContact O-CA 3.39Å; A140-R147 PolarHBondContact N-O 3.46Å; A140-R147 PolarHBondContact O-N 2.9Å
141T93Very high92.5Very high73 Ų7355.4 Ų55.445%0.44832%0.324SS..EExtended strand (participates in β ladder)trans-123.3123.9175.4-60.60000109.2D115 R145 T146D115-T141 HydrophobicContact CB-CG2 4.2Å; T141-R145 CarbonylContact C-O 3.47Å; T141-R145 WeakPolarHBondContact CA-O 3.32Å; T141-T146 PolarHBondContact OG1-OG1 2.85Å
142V91.4Very high92.7Very high87 Ų8752.1 Ų52.153%0.52730%0.301SS..EExtended strand (participates in β ladder)trans-140.7129.6-179.5-178.70000108.8P80 G144 R145P80-V142 HydrophobicContact CG-CB 4.12Å; P80-V142 HydrophobicContact CG-CG2 4.22Å; V142-G144 PolarHBondContact O-N 2.78Å; V142-R145 PolarHBondContact N-O 2.85Å; V142-R145 PolarHBondContact O-N 3.01Å
143G89.4Confident92.7Very high83 Ų8353.3 Ų53.386%0.85631%0.306SS*.THydrogen-bonded Turntrans58.831.5172.600000114.8R145G143-R145 VanDerWaalsContact C-N 3.3Å; G143-R145 PolarHBondContact O-N 2.84Å
144G92.1Very high92.4Very high46 Ų4645.6 Ų45.647%0.47428%0.279SS..THydrogen-bonded Turntrans74.816.6-175.700000114.1A114 D115 V142A114-G144 WeakPolarHBondContact CA-O 3.33Å; D115-G144 PolarHBondContact N-O 2.87Å; V142-G144 PolarHBondContact O-N 2.78Å
145R93.1Very high91.6Very high46 Ų4645.3 Ų45.317%0.17428%0.28CS..EExtended strand (participates in β ladder)trans-117.8144170.5-49.8-160.391.5-136.95.2110P80 G81 E82 G83 D84 C113 T141 V142 G143P80-R145 HydrophobicContact CB-CB 3.92Å; P80-R145 WeakPolarHBondContact CG-O 3.4Å; G81-R145 PolarHBondContact O-NH1 3.44Å; E82-R145 PolarHBondContact O-NH1 3.43Å; E82-R145 PolarHBondContact O-NH2 3.47Å; G83-R145 VanDerWaalsContact C-NH1 3.26Å; G83-R145 VanDerWaalsContact N-NH1 3.11Å; G83-R145 PolarHBondContact O-NH1 2.87Å; G83-R145 PolarHBondContact O-NH2 2.84Å; D84-R145 IonicContact OD1-CZ 2.74Å; D84-R145 IonicContact OD1-NH2 3.76Å; D84-R145 PolarHBondContact OD1-NH2 3.27Å; C113-R145 CarbonylContact O-C 3.53Å; C113-R145 VanDerWaalsContact O-CA 3.24Å; C113-R145 WeakPolarHBondContact O-CA 3.3Å; C113-R145 WeakPolarHBondContact O-CB 3.06Å; T141-R145 CarbonylContact C-O 3.47Å; T141-R145 WeakPolarHBondContact CA-O 3.32Å; V142-R145 PolarHBondContact N-O 2.85Å; V142-R145 PolarHBondContact O-N 3.01Å; G143-R145 VanDerWaalsContact C-N 3.3Å; G143-R145 PolarHBondContact O-N 2.84Å
146T93.9Very high90.1Very high1 Ų145.6 Ų45.61%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-122.7130.3-179.7-61.50000109.8C112 C113 D115 L119 M120 I139 A140 T141C112-T146 WeakPolarHBondContact CA-O 3.32Å; C113-T146 PolarHBondContact N-O 3.46Å; C113-T146 PolarHBondContact O-N 3.39Å; D115-T146 VanDerWaalsContact CB-OG1 3.26Å; D115-T146 WeakPolarHBondContact CB-OG1 3.44Å; D115-T146 VanDerWaalsContact CG-OG1 3.27Å; D115-T146 PolarHBondContact OD1-OG1 2.89Å; L119-T146 HydrophobicContact CD2-CG2 4.1Å; M120-T146 HydrophobicContact CE-CG2 3.99Å; I139-T146 HydrophobicContact CG2-CG2 3.65Å; A140-T146 CarbonylContact O-C 3.53Å; A140-T146 WeakPolarHBondContact O-CA 3.39Å; T141-T146 PolarHBondContact OG1-OG1 2.85Å
147R93.6Very high88.3Confident60 Ų6050.1 Ų50.123%0.22631%0.311CS..EExtended strand (participates in β ladder)trans-112.4124.8169.4-175.8173.6-173.7178.34.4109A78 V79 P80 V111 C112 I139 A140A78-R147 HydrophobicContact CB-CG 4.19Å; V79-R147 WeakPolarHBondContact O-CD 3.34Å; V79-R147 PolarHBondContact O-NH1 2.9Å; P80-R147 HydrophobicContact CB-CB 4.1Å; P80-R147 HydrophobicContact CG-CB 3.98Å; V111-R147 CarbonylContact O-C 3.52Å; V111-R147 VanDerWaalsContact O-CA 3.29Å; V111-R147 WeakPolarHBondContact O-CA 3.46Å; C112-R147 HydrophobicContact CB-CB 4.37Å; C112-R147 HydrophobicContact CB-CG 4.27Å; I139-R147 WeakPolarHBondContact CA-O 3.36Å; A140-R147 PolarHBondContact N-O 3.46Å; A140-R147 PolarHBondContact O-N 2.9Å
148S93.9Very high86Confident2 Ų253.4 Ų53.41%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-115.9118176.9-560000108.8W110 V111 E138W110-S148 CarbonylContact C-O 3.57Å; W110-S148 WeakPolarHBondContact CA-O 3.34Å; V111-S148 PolarHBondContact N-O 2.91Å; V111-S148 PolarHBondContact O-N 3.17Å; E138-S148 CarbonylContact O-C 3.58Å; E138-S148 WeakPolarHBondContact O-CA 3.13Å
149V94Very high83.6Confident7 Ų759.1 Ų59.14%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-105.3120.3171-179.10000107.6A78 R108 A109 W110 A137 E138A78-V149 HydrophobicContact CB-CG2 3.63Å; R108-V149 HydrophobicContact CG-CG1 4.26Å; A109-V149 CarbonylContact O-C 3.52Å; A109-V149 WeakPolarHBondContact O-CA 3.26Å; W110-V149 HydrophobicContact CB-CG2 4.08Å; A137-V149 CarbonylContact C-O 3.56Å; A137-V149 WeakPolarHBondContact CA-O 3.24Å; E138-V149 HydrophobicContact CB-CB 4.39Å; E138-V149 PolarHBondContact N-O 3.41Å; E138-V149 PolarHBondContact O-N 3.28Å
150L93.8Very high81.6Confident14 Ų1462 Ų627%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-116.1125.2-172.8-52.6177.9000109.4R108 A109 V127 A137 L152R108-L150 CarbonylContact C-O 3.58Å; R108-L150 WeakPolarHBondContact CA-O 3.4Å; A109-L150 PolarHBondContact N-O 2.8Å; A109-L150 PolarHBondContact O-N 2.87Å; V127-L150 HydrophobicContact CG2-CD1 3.97Å; A137-L150 HydrophobicContact CB-CD2 3.57Å; L150-L152 HydrophobicContact CB-CD2 3.83Å; L150-L152 HydrophobicContact CB-CG 4.07Å; L150-L152 HydrophobicContact CD1-CD2 4.45Å
151E93.1Very high79.3Confident45 Ų4563.1 Ų63.121%0.2137%0.373CS..EExtended strand (participates in β ladder)trans-90.2126.7158.4-63.8-178.1-152.700108.1R106 A134 V135 R136R106-E151 IonicContact CZ-OE2 2.69Å; R106-E151 IonicContact NH1-OE2 2.87Å; R106-E151 PolarHBondContact NH1-OE2 2.94Å; A134-E151 WeakPolarHBondContact CA-O 3.36Å; V135-E151 HydrophobicContact CG2-CB 3.66Å; V135-E151 WeakPolarHBondContact CG2-O 3.39Å; V135-E151 PolarHBondContact N-O 3Å; R136-E151 HydrophobicContact CB-CB 4Å; R136-E151 HydrophobicContact CB-CG 4.19Å; R136-E151 WeakPolarHBondContact CD-OE1 3.07Å; R136-E151 PolarHBondContact N-O 2.98Å; R136-E151 IonicContact NH1-OE1 3.27Å; R136-E151 PolarHBondContact NH1-OE1 3.32Å; R136-E151 PolarHBondContact O-N 3.41Å
152L92.5Very high77.1Confident0 Ų069.6 Ų69.60%040%0.398CS..EExtended strand (participates in β ladder)trans-125.2136.8-174.6-54178.8000110.1R106 V107 A109 V127 A132 R133 A134 L150 L172R106-L152 CarbonylContact C-O 3.58Å; R106-L152 WeakPolarHBondContact CA-O 3.31Å; V107-L152 PolarHBondContact N-O 2.89Å; V107-L152 PolarHBondContact O-N 3.32Å; A109-L152 HydrophobicContact CB-CD1 4.35Å; V127-L152 HydrophobicContact CG1-CD1 4.37Å; V127-L152 HydrophobicContact CG1-CD2 3.76Å; V127-L152 HydrophobicContact CG2-CD1 4.13Å; V127-L152 HydrophobicContact CG2-CD2 4.08Å; A132-L152 HydrophobicContact CB-CB 4.4Å; A132-L152 HydrophobicContact CB-CD1 4.4Å; R133-L152 CarbonylContact O-C 3.48Å; R133-L152 VanDerWaalsContact O-CA 3.3Å; R133-L152 WeakPolarHBondContact O-CA 3.41Å; A134-L152 VanDerWaalsContact CA-CD2 3.49Å; A134-L152 HydrophobicContact CB-CD2 3.63Å; L150-L152 HydrophobicContact CB-CD2 3.83Å; L150-L152 HydrophobicContact CB-CG 4.07Å; L150-L152 HydrophobicContact CD1-CD2 4.45Å; L152-L172 HydrophobicContact CD1-CD1 3.64Å; L152-L172 HydrophobicContact CD1-CD2 3.65Å; L152-L172 HydrophobicContact CD1-CG 4.28Å
153D90.9Very high75Confident33 Ų3368.3 Ų68.318%0.17640%0.402CS..EExtended strand (participates in β ladder)trans-92.8122.5163.3-74.4-10.7000108A104 R105 R106 A132 R133 V135A104-D153 HydrophobicContact CB-CB 3.98Å; R105-D153 WeakPolarHBondContact O-CA 3.22Å; R106-D153 IonicContact CZ-OD1 3.34Å; R106-D153 IonicContact NE-OD1 3.83Å; R106-D153 PolarHBondContact NE-OD1 3.21Å; R106-D153 IonicContact NH2-OD1 3.36Å; R106-D153 PolarHBondContact NH2-OD1 3.39Å; R106-D153 IonicContact NH2-OD2 3.78Å; A132-D153 CarbonylContact C-O 3.53Å; A132-D153 WeakPolarHBondContact CA-O 3.34Å; R133-D153 PolarHBondContact N-O 3.36Å; R133-D153 PolarHBondContact O-N 2.91Å; V135-D153 HydrophobicContact CG1-CB 4.23Å; V135-D153 VanDerWaalsContact CG1-OD2 3.27Å; V135-D153 WeakPolarHBondContact CG1-OD2 3.19Å
154V85.9Confident73.1Confident13 Ų1369.6 Ų69.68%0.07939%0.394CS..EExtended strand (participates in β ladder)trans-102.7116.9175.7-172.30000108.9R105 V107 A132 G156R105-V154 PolarHBondContact N-O 2.64Å; R105-V154 PolarHBondContact O-N 2.93Å; V107-V154 HydrophobicContact CB-CG2 4.35Å; V107-V154 HydrophobicContact CG2-CG2 3.81Å; A132-V154 HydrophobicContact CB-CG2 4.07Å; V154-G156 PolarHBondContact O-N 3.42Å
155G74.8Confident71.3Confident45 Ų4571.8 Ų71.846%0.46440%0.402SS..PPolyproline II helixtrans-74.6118175.200000111R157G155-R157 PolarHBondContact O-N 2.87Å
156G61.7Low69.5Low59 Ų5973.5 Ų73.561%0.60842%0.417SS*.  trans-70.7106.2168.500000109.9R102 V154 H158R102-G156 PolarHBondContact NH1-O 3.24Å; V154-G156 PolarHBondContact O-N 3.42Å; G156-H158 PolarHBondContact O-N 3.38Å
157R54.2Low68.2Low222 Ų22277.8 Ų77.884%0.83845%0.447SS*.  trans-59.1132.1161-81179159.8174.5-5.7107.4G155 H159G155-R157 PolarHBondContact O-N 2.87Å; R157-H159 PolarHBondContact O-N 3.49Å; R157-H159 VanDerWaalsContact O-N 3.15Å
158H44.6Very low67.3Low125 Ų12576.1 Ų76.158%0.57945%0.445SS*.  trans-40.2120.1174.3-90.5-96.8000110.6R102 G156 D160R102-H158 VanDerWaalsContact CZ-CE1 3.42Å; R102-H158 PolarHBondContact NE-NE2 2.95Å; R102-H158 VanDerWaalsContact NE-NE2 3.17Å; R102-H158 PolarHBondContact NH1-CD2 2.81Å; R102-H158 PolarHBondContact NH2-CD2 3.01Å; R102-H158 PolarHBondContact NH2-CE1 3.24Å; R102-H158 PolarHBondContact NH2-ND1 2.93Å; R102-H158 PolarHBondContact NH2-NE2 3.39Å; G156-H158 PolarHBondContact O-N 3.38Å; H158-D160 IonicContact ND1-OD1 4Å
159H44.4Very low66.9Low172 Ų17280.6 Ų80.680%0.79646%0.462SS*.  trans-135.4113.1147-158.631.5000107.2R157 G161R157-H159 PolarHBondContact O-N 3.49Å; R157-H159 VanDerWaalsContact O-N 3.15Å; H159-G161 PolarHBondContact O-N 2.74Å
160D51Low66.7Low150 Ų15083.7 Ų83.780%0.80248%0.482SS*.  trans-74.857.1176.7-59.9-52.1000110.2H158H158-D160 IonicContact ND1-OD1 4Å
161G44.9Very low66.6Low42 Ų4285.3 Ų85.343%0.43350%0.497SS..SBendtrans-142135.4175.900000108.9H159 G163H159-G161 PolarHBondContact O-N 2.74Å; G161-G163 PolarHBondContact O-N 2.82Å
162E46.2Very low66.6Low209 Ų20983.3 Ų83.398%0.97749%0.488SS*.  trans-6738.5178.7-164163.2165.800112.9
163G47.3Very low66.7Low60 Ų6085 Ų8562%0.61950%0.496SS*.  trans-86.3111.5173.500000109.3G161 S165G161-G163 PolarHBondContact O-N 2.82Å; G163-S165 PolarHBondContact O-N 2.79Å
164T48.6Very low66.9Low110 Ų11086 Ų8668%0.67551%0.509SS*.  trans-35.8124.5178.5-43.70000112.5T166T164-T166 HydrophobicContact CG2-CG2 3.69Å; T164-T166 PolarHBondContact O-N 3.49Å; T164-T166 PolarHBondContact O-OG1 3.07Å
165S54.2Low67.3Low93 Ų9386.1 Ų86.165%0.6551%0.511SS*.G310 helixtrans-63.522.5-177.2-39.90000115.7R105 G163 S167R105-S165 PolarHBondContact NH1-O 2.74Å; G163-S165 PolarHBondContact O-N 2.79Å; S165-S167 VanDerWaalsContact C-N 3.3Å; S165-S167 PolarHBondContact O-N 2.79Å
166T56.8Low68.3Low81 Ų8184 Ų8450%0.49749%0.489SS..G310 helixtrans-76.3-7.7-179.244.60000114T164 S168 P170T164-T166 HydrophobicContact CG2-CG2 3.69Å; T164-T166 PolarHBondContact O-N 3.49Å; T164-T166 PolarHBondContact O-OG1 3.07Å; T166-S168 PolarHBondContact O-N 3.15Å; T166-P170 WeakPolarHBondContact O-CD 3.37Å
167S65.2Low69.9Low91 Ų9186.6 Ų86.664%0.63648%0.48SS*.G310 helixtrans-70.9-24.4-17160.30000114.9S165 P170S165-S167 VanDerWaalsContact C-N 3.3Å; S165-S167 PolarHBondContact O-N 2.79Å; S167-P170 WeakPolarHBondContact O-CD 3.37Å; S167-P170 WeakPolarHBondContact O-CG 3.11Å
168S75.9Confident71.8Confident25 Ų2578.5 Ų78.518%0.17546%0.461CS..Hα-helixtrans-77.8-34.4-175.563.90000114.1T166 A171 L172T166-S168 PolarHBondContact O-N 3.15Å; S168-A171 PolarHBondContact O-N 3.17Å; S168-L172 VanDerWaalsContact O-CB 3.31Å; S168-L172 WeakPolarHBondContact O-CB 3.5Å; S168-L172 PolarHBondContact O-N 3.01Å
169R85.4Confident74.1Confident96 Ų9672.9 Ų72.936%0.36244%0.436SS..Hα-helixtrans-59-52.3178.1170178.7178.6135.93.6113.9V88 E90 A171 L172 Q173V88-R169 HydrophobicContact CB-CG 4.17Å; V88-R169 HydrophobicContact CG1-CB 4.39Å; V88-R169 HydrophobicContact CG1-CG 3.96Å; V88-R169 PolarHBondContact O-NH1 3.39Å; V88-R169 PolarHBondContact O-NH2 3.45Å; E90-R169 HydrophobicContact CG-CB 4.19Å; E90-R169 WeakPolarHBondContact OE1-CB 3.4Å; R169-A171 VanDerWaalsContact C-N 3.3Å; R169-A171 PolarHBondContact O-N 2.74Å; R169-L172 PolarHBondContact O-N 3.18Å; R169-Q173 VanDerWaalsContact O-CB 3.24Å; R169-Q173 WeakPolarHBondContact O-CB 3.4Å; R169-Q173 PolarHBondContact O-N 2.84Å
170P90.1Very high76.3Confident73 Ų7365.9 Ų65.947%0.47440%0.404SS..Hα-helixtrans-64-37.4-179.924.6-33.4000111.7T166 S167 Q173 A174T166-P170 WeakPolarHBondContact O-CD 3.37Å; S167-P170 WeakPolarHBondContact O-CD 3.37Å; S167-P170 WeakPolarHBondContact O-CG 3.11Å; P170-Q173 PolarHBondContact O-N 2.71Å; P170-A174 VanDerWaalsContact O-CB 3.23Å; P170-A174 WeakPolarHBondContact O-CB 3.38Å; P170-A174 PolarHBondContact O-N 3.24Å
171A92.1Very high77.9Confident47 Ų4764 Ų6439%0.38839%0.393SS..Hα-helixtrans-63.9-48.6176.300000111.9V130 S168 R169 A174 A175V130-A171 HydrophobicContact CG1-CB 4.13Å; S168-A171 PolarHBondContact O-N 3.17Å; R169-A171 VanDerWaalsContact C-N 3.3Å; R169-A171 PolarHBondContact O-N 2.74Å; A171-A174 PolarHBondContact O-N 2.67Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 3.29Å
172L92.7Very high79.3Confident3 Ų363.9 Ų63.92%0.01639%0.386CS..Hα-helixtrans-62-45.1176.1175.763.7000111.5V88 V107 A109 V130 L152 S168 R169 A174 A175 L176V88-L172 HydrophobicContact CG1-CD2 3.87Å; V88-L172 HydrophobicContact CG2-CD2 4.18Å; V88-L172 HydrophobicContact CG2-CG 4.18Å; V107-L172 HydrophobicContact CG1-CD2 3.84Å; A109-L172 HydrophobicContact CB-CD2 4.29Å; V130-L172 HydrophobicContact CG2-CB 4.31Å; V130-L172 HydrophobicContact CG2-CD1 3.81Å; L152-L172 HydrophobicContact CD1-CD1 3.64Å; L152-L172 HydrophobicContact CD1-CD2 3.65Å; L152-L172 HydrophobicContact CD1-CG 4.28Å; S168-L172 VanDerWaalsContact O-CB 3.31Å; S168-L172 WeakPolarHBondContact O-CB 3.5Å; S168-L172 PolarHBondContact O-N 3.01Å; R169-L172 PolarHBondContact O-N 3.18Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 3.15Å; L172-A175 PolarHBondContact O-N 2.86Å; L172-L176 HydrophobicContact CD1-CD1 4.04Å; L172-L176 HydrophobicContact CD1-CG 4.15Å; L172-L176 HydrophobicContact CG-CD1 4.16Å; L172-L176 WeakPolarHBondContact O-CG 3.22Å; L172-L176 PolarHBondContact O-N 2.84Å
173Q94.1Very high80.2Confident35 Ų3557.7 Ų57.716%0.16435%0.354CS..Hα-helixtrans-63.1-40.2178.9-162.7-179.627.300111.5V86 V88 R169 P170 R177V86-Q173 HydrophobicContact CG1-CG 4.21Å; V88-Q173 HydrophobicContact CG2-CB 3.82Å; V88-Q173 HydrophobicContact CG2-CG 4.08Å; R169-Q173 VanDerWaalsContact O-CB 3.24Å; R169-Q173 WeakPolarHBondContact O-CB 3.4Å; R169-Q173 PolarHBondContact O-N 2.84Å; P170-Q173 PolarHBondContact O-N 2.71Å; Q173-R177 VanDerWaalsContact CD-NH2 3.3Å; Q173-R177 VanDerWaalsContact CG-NH1 3.3Å; Q173-R177 WeakPolarHBondContact O-CB 3.33Å; Q173-R177 VanDerWaalsContact O-CG 3.27Å; Q173-R177 WeakPolarHBondContact O-CG 3.46Å; Q173-R177 PolarHBondContact O-N 2.62Å
174A94.7Very high80.6Confident55 Ų5561.9 Ų61.946%0.45536%0.357SS..Hα-helixtrans-65.4-44.9174.900000112P170 A171 L172 L176 R177 A178P170-A174 VanDerWaalsContact O-CB 3.23Å; P170-A174 WeakPolarHBondContact O-CB 3.38Å; P170-A174 PolarHBondContact O-N 3.24Å; A171-A174 PolarHBondContact O-N 2.67Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 3.15Å; A174-L176 VanDerWaalsContact C-N 3.35Å; A174-L176 PolarHBondContact O-N 3.22Å; A174-R177 PolarHBondContact O-N 3.23Å; A174-A178 PolarHBondContact O-N 2.8Å
175A95.1Very high80.9Confident15 Ų1565.1 Ų65.112%0.12437%0.365CS..Hα-helixtrans-60.9-42.2178.100000112.1A126 V130 A171 L172 A178A126-A175 HydrophobicContact CB-CB 4.15Å; A126-A175 WeakPolarHBondContact CB-O 3.27Å; V130-A175 HydrophobicContact CG1-CB 3.94Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 3.29Å; L172-A175 PolarHBondContact O-N 2.86Å; A175-A178 WeakPolarHBondContact O-CB 3.33Å; A175-A178 PolarHBondContact O-N 3.37Å
176L95.4Very high80.7Confident0 Ų064.5 Ų64.50%035%0.353CS..Hα-helixtrans-70.4-38.6176.3-67.1176.6000112.3V86 A109 V111 L123 A126 V127 L172 A174 A178 V179V86-L176 HydrophobicContact CG1-CB 3.72Å; V86-L176 HydrophobicContact CG1-CD1 4.39Å; A109-L176 HydrophobicContact CB-CD1 3.76Å; V111-L176 HydrophobicContact CG2-CB 3.96Å; V111-L176 HydrophobicContact CG2-CD1 4.01Å; V111-L176 HydrophobicContact CG2-CD2 3.98Å; V111-L176 HydrophobicContact CG2-CG 4.2Å; L123-L176 HydrophobicContact CD2-CD2 4.03Å; A126-L176 HydrophobicContact CB-CD2 4.2Å; V127-L176 HydrophobicContact CG2-CD2 4.4Å; L172-L176 HydrophobicContact CD1-CD1 4.04Å; L172-L176 HydrophobicContact CD1-CG 4.15Å; L172-L176 HydrophobicContact CG-CD1 4.16Å; L172-L176 WeakPolarHBondContact O-CG 3.22Å; L172-L176 PolarHBondContact O-N 2.84Å; A174-L176 VanDerWaalsContact C-N 3.35Å; A174-L176 PolarHBondContact O-N 3.22Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 2.78Å; L176-V179 WeakPolarHBondContact O-CB 3.02Å; L176-V179 PolarHBondContact O-N 2.84Å; L176-V179 VanDerWaalsContact O-N 3.15Å
177R94.9Very high80.5Confident114 Ų11463.7 Ų63.743%0.4335%0.345SS..Hα-helixtrans-61.6-35.4172.8-78.6178.7179.6130.2-4.2112.5V86 Q173 A174 V179 L180 L181V86-R177 HydrophobicContact CB-CG 4.04Å; V86-R177 HydrophobicContact CG1-CG 4.22Å; V86-R177 HydrophobicContact CG2-CG 4.18Å; Q173-R177 VanDerWaalsContact CD-NH2 3.3Å; Q173-R177 VanDerWaalsContact CG-NH1 3.3Å; Q173-R177 WeakPolarHBondContact O-CB 3.33Å; Q173-R177 VanDerWaalsContact O-CG 3.27Å; Q173-R177 WeakPolarHBondContact O-CG 3.46Å; Q173-R177 PolarHBondContact O-N 2.62Å; A174-R177 PolarHBondContact O-N 3.23Å; R177-V179 PolarHBondContact O-N 3.22Å; R177-L180 WeakPolarHBondContact O-CB 3.39Å; R177-L180 PolarHBondContact O-N 2.73Å; R177-L181 PolarHBondContact O-N 3.32Å; R177-L181 VanDerWaalsContact O-N 3.15Å
178A94.1Very high79.7Confident53 Ų5362.9 Ų62.944%0.43835%0.35SS..Hα-helixtrans-61.6-29.517600000112.7A174 A175 L176 L180 L181 S182A174-A178 PolarHBondContact O-N 2.8Å; A175-A178 WeakPolarHBondContact O-CB 3.33Å; A175-A178 PolarHBondContact O-N 3.37Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 2.78Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 PolarHBondContact O-N 2.82Å; A178-L181 PolarHBondContact O-N 3.42Å; A178-S182 PolarHBondContact O-N 2.82Å; A178-S182 PolarHBondContact O-OG 3.15Å
179V92.9Very high78.5Confident7 Ų765.5 Ų65.54%0.04237%0.374CS..Hα-helixtrans-64-36.1172.9-178.40000111.2R116 L119 E122 L123 A126 L176 R177 S182R116-V179 PolarHBondContact NH2-O 2.94Å; L119-V179 HydrophobicContact CD1-CG1 3.83Å; E122-V179 HydrophobicContact CB-CG1 3.88Å; E122-V179 HydrophobicContact CB-CG2 4.28Å; L123-V179 HydrophobicContact CD2-CB 4.46Å; L123-V179 HydrophobicContact CD2-CG1 4.12Å; L123-V179 HydrophobicContact CD2-CG2 4.36Å; L123-V179 HydrophobicContact CG-CG1 4.36Å; A126-V179 HydrophobicContact CB-CG2 3.71Å; L176-V179 WeakPolarHBondContact O-CB 3.02Å; L176-V179 PolarHBondContact O-N 2.84Å; L176-V179 VanDerWaalsContact O-N 3.15Å; R177-V179 PolarHBondContact O-N 3.22Å; V179-S182 PolarHBondContact O-OG 3.18Å
180L90.8Very high76.6Confident25 Ų2568.6 Ų68.613%0.13139%0.392CS..Hα-helixtrans-69.7-38.3174.2-59.1-173.5000112.4D84 V86 V111 C113 R177 A178 R183D84-L180 HydrophobicContact CB-CD1 4.07Å; V86-L180 HydrophobicContact CG2-CD1 3.47Å; V86-L180 VanDerWaalsContact CG2-CD1 3.47Å; V86-L180 HydrophobicContact CG2-CG 3.96Å; V111-L180 HydrophobicContact CG1-CD2 3.93Å; C113-L180 HydrophobicContact CB-CD2 3.35Å; R177-L180 WeakPolarHBondContact O-CB 3.39Å; R177-L180 PolarHBondContact O-N 2.73Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 PolarHBondContact O-N 2.82Å; L180-R183 WeakPolarHBondContact O-CB 3.24Å; L180-R183 PolarHBondContact O-N 3.01Å
181L85.3Confident74.5Confident109 Ų10968.6 Ų68.657%0.57139%0.393SS*.Hα-helixtrans-77.7-31.3-176.3-64174.8000113.1R177 A178 R183 E184R177-L181 PolarHBondContact O-N 3.32Å; R177-L181 VanDerWaalsContact O-N 3.15Å; A178-L181 PolarHBondContact O-N 3.42Å; L181-R183 PolarHBondContact O-N 3.13Å; L181-E184 PolarHBondContact O-N 2.86Å
182S73.4Confident72.1Confident41 Ų4176.8 Ų76.829%0.28742%0.416SS..Hα-helixtrans-58.5-12.5173.162.40000113.9R116 A178 V179R116-S182 PolarHBondContact NH2-OG 3.4Å; A178-S182 PolarHBondContact O-N 2.82Å; A178-S182 PolarHBondContact O-OG 3.15Å; V179-S182 PolarHBondContact O-OG 3.18Å
183R65.3Low69.3Low79 Ų7986.1 Ų86.130%0.29846%0.456SS..Hα-helixtrans-62.7-38.8170.5-178.3-175.9171-175.9-2.7113.6D84 L180 L181 E185 M186 L187D84-R183 IonicContact OD1-NH1 2.67Å; D84-R183 PolarHBondContact OD1-NH1 3.43Å; D84-R183 IonicContact OD2-CZ 3.35Å; D84-R183 IonicContact OD2-NH1 3.85Å; D84-R183 PolarHBondContact OD2-NH1 3.37Å; L180-R183 WeakPolarHBondContact O-CB 3.24Å; L180-R183 PolarHBondContact O-N 3.01Å; L181-R183 PolarHBondContact O-N 3.13Å; R183-E185 VanDerWaalsContact C-N 3.27Å; R183-E185 PolarHBondContact O-N 3.34Å; R183-M186 PolarHBondContact O-N 3.36Å; R183-L187 HydrophobicContact CG-CD1 3.62Å; R183-L187 HydrophobicContact CG-CG 4.08Å; R183-L187 PolarHBondContact O-N 3.27Å; R183-L187 VanDerWaalsContact O-N 3.09Å
184E56.6Low66.6Low148 Ų14896 Ų9669%0.69249%0.492SS*.Hα-helixtrans-67.1-32-169.4-66.1-167.515300111.8L181 M186 G188L181-E184 PolarHBondContact O-N 2.86Å; E184-M186 VanDerWaalsContact C-N 3.33Å; E184-M186 PolarHBondContact O-N 2.87Å; E184-G188 PolarHBondContact O-N 2.86Å
185E53.5Low63.6Low178 Ų178102 Ų10283%0.83251%0.511SS*.Hα-helixtrans-70.5-27.9177.5-65.5-178.7167.100112.8R183R183-E185 VanDerWaalsContact C-N 3.27Å; R183-E185 PolarHBondContact O-N 3.34Å
186M49.8Very low60.8Low80 Ų80112.4 Ų112.439%0.39455%0.547SS..Hα-helixtrans-94-37-174.7-146.5-79.4-72.800112.6R183 E184 G188 A189R183-M186 PolarHBondContact O-N 3.36Å; E184-M186 VanDerWaalsContact C-N 3.33Å; E184-M186 PolarHBondContact O-N 2.87Å; M186-G188 VanDerWaalsContact C-N 3.29Å; M186-G188 PolarHBondContact O-N 2.98Å; M186-A189 WeakPolarHBondContact O-CB 3.41Å; M186-A189 PolarHBondContact O-N 3.17Å; M186-A189 VanDerWaalsContact O-N 3.09Å
187L52.3Low57.8Low64 Ų64122.6 Ų122.634%0.33559%0.591SS.*Hα-helixtrans-73.2-20.5176.5-67.5-176.8000113.6R183 A189R183-L187 HydrophobicContact CG-CD1 3.62Å; R183-L187 HydrophobicContact CG-CG 4.08Å; R183-L187 PolarHBondContact O-N 3.27Å; R183-L187 VanDerWaalsContact O-N 3.09Å; L187-A189 PolarHBondContact O-N 3.18Å
188G50.2Low55Low73 Ų73122 Ų12275%0.75360%0.604SS**Hα-helixtrans-59.2-24.9166.900000113E184 M186E184-G188 PolarHBondContact O-N 2.86Å; M186-G188 VanDerWaalsContact C-N 3.29Å; M186-G188 PolarHBondContact O-N 2.98Å
189A49Very low52.2Low80 Ų80124 Ų12466%0.66162%0.622SS**Hα-helixtrans-90-34-176.400000114.5M186 L187M186-A189 WeakPolarHBondContact O-CB 3.41Å; M186-A189 PolarHBondContact O-N 3.17Å; M186-A189 VanDerWaalsContact O-N 3.09Å; L187-A189 PolarHBondContact O-N 3.18Å
190E47.2Very low49.3Very low161 Ų161131.4 Ų131.475%0.75266%0.655SS**Hα-helixtrans-123.8-4.6-164.9-65.3-150.7137.900119.2
191C45Very low46.6Very low74 Ų74138.9 Ų138.950%0.569%0.694SS.*SBendtrans-105.82.9-17378.20000119.4
192Y42.7Very low44.1Very low219 Ų219136.8 Ų136.886%0.85969%0.693SS**SBendtrans-112.1-1.6178.7-74.9-78000117.4R194Y192-R194 PolarHBondContact O-N 3.14Å
193K32.4Very low41.9Very low199 Ų199146.2 Ų146.287%0.86572%0.722SS**SBendtrans-93.4102.3168.5-71.3-172-178174.60109.1Q195K193-Q195 PolarHBondContact O-N 2.85Å
194R37.5Very low40.4Very low241 Ų241148.8 Ų148.891%0.90975%0.746SS**  trans-43.9104.5164.5-67.8171.488.6-165.47.7108Y192 R196Y192-R194 PolarHBondContact O-N 3.14Å; R194-R196 PolarHBondContact O-N 2.9Å
195Q32.3Very low38.9Very low183 Ų183153 Ų15386%0.85576%0.758SS**  trans-62.1105.1174.5-166.1167.6500106.5K193 F197K193-Q195 PolarHBondContact O-N 2.85Å; Q195-F197 PolarHBondContact O-N 3.47Å
196R35.7Very low37.9Very low233 Ų233150.9 Ų150.988%0.87975%0.752SS**  trans-62.9118169.7-81.2179.6162.9161.5-4.8106.2R194 S198R194-R196 PolarHBondContact O-N 2.9Å; R196-S198 PolarHBondContact O-N 3.1Å
197F33.1Very low37.1Very low213 Ų213152.3 Ų152.393%0.93477%0.77SS**  trans-48.8110.9168.4-76.8-92.4000109.3Q195Q195-F197 PolarHBondContact O-N 3.47Å
198S35Very low36.3Very low101 Ų101152.8 Ų152.871%0.70679%0.79SS**  trans-95.9109.6156.9172.10000106R196 H200R196-S198 PolarHBondContact O-N 3.1Å; S198-H200 VanDerWaalsContact C-N 3.32Å; S198-H200 PolarHBondContact O-N 3.22Å
199A36.3Very low35.5Very low97 Ų97154 Ų15480%0.80279%0.793SS**  trans-61.194.417100000109.3
200H32.4Very low35.1Very low161 Ų161156.7 Ų156.775%0.74580%0.801SS**  trans-128.161160.9-117.8-72.2000108.5S198 A202S198-H200 VanDerWaalsContact C-N 3.32Å; S198-H200 PolarHBondContact O-N 3.22Å; H200-A202 PolarHBondContact O-N 3.25Å
201L33.3Very low34.4Very low182 Ų182157.5 Ų157.595%0.95381%0.805SS**  trans-67.871.5151.1-93.5156.3000107.2R203L201-R203 PolarHBondContact O-N 2.94Å
202A33.4Very low33.8Very low66 Ų66160.8 Ų160.855%0.54582%0.822SS.*  trans-86.2104.9163.500000107H200 V204H200-A202 PolarHBondContact O-N 3.25Å; A202-V204 PolarHBondContact O-N 3.47Å
203R27.7Very low33.6Very low239 Ų239156.4 Ų156.490%0.90282%0.819SS**  trans-40.5118.4160.9-71.3168.7166.6158.5-5.8109.9L201L201-R203 PolarHBondContact O-N 2.94Å
204V32.4Very low34.2Very low132 Ų132158.3 Ų158.380%0.884%0.839SS**  trans-130.581147.4-175.70000105.7A202A202-V204 PolarHBondContact O-N 3.47Å
205Y25.8Very low34Very low237 Ų237154.2 Ų154.293%0.92984%0.835SS**  trans-77.1109143.8-99.9-95.2000104.6
206D31.6Very low34.1Very low133 Ų133152.7 Ų152.771%0.71183%0.834SS**  trans-154.4113.2142.6-152.910.8000110.8
207S33.7Very low34Very low110 Ų110148.2 Ų148.277%0.76983%0.831SS**  trans23.9110.7138.6-360000118.7
208G36.2Very low34.1Very low74 Ų74144.4 Ų144.476%0.76383%0.825SS**  trans-144.186.5161.400000109.3
209A33.9Very low34Very low99 Ų99147.1 Ų147.182%0.81883%0.833SS**  trans-58136.317000000110.1
210V39.7Very low33.9Very low137 Ų137150.5 Ų150.583%0.8384%0.835SS**  trans-123.1115.1161.9169.20000106.5
211E32.3Very low34Very low177 Ų177149.7 Ų149.783%0.82784%0.841SS**  trans-66.4139.5-176.3-65.6-178.9120.200111.5
212V31.8Very low34.1Very low143 Ų143147.2 Ų147.287%0.86783%0.833SS**  trans-92.7118.1166.3175.90000106.4
213T40Very low34.1Very low127 Ų127154 Ų15478%0.77986%0.857SS**  trans-106.4131.7165.947.80000109.1
214D44.4Very low34.7Very low240 Ų240146.3 Ų146.3100%1.28385%0.853SS**  trans-24.10-176-154.1-114.2000117.8

Retrieved 214 of 214 residues in 89.9 ms (Link to these results)