A0A077Z6L0_TRITR Loading...

NAD dependent ADP ribosyltransferase sirtuin 4

AlphaFold DB , UniProt , Accession A0A077Z6L0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 287 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
1M36.1Very low40.6Very low238 Ų238141 Ų141100%1.17279%0.786SS**  090.70-86.2179.6156.600109.3
2Q36.2Very low42.6Very low200 Ų200135.3 Ų135.394%0.93577%0.771SS**  trans-93.5109.2159.7-82.8177.5-12.300106.1A4Q2-A4 PolarHBondContact O-N 3.34Å
3R35.7Very low44.5Very low238 Ų238131.9 Ų131.990%0.89875%0.749SS**  trans-61.2125.4177.2-78.8179.4171.3177.8-2.9108S5R3-S5 PolarHBondContact O-N 2.83Å
4A39Very low46Very low93 Ų93125.1 Ų125.177%0.76972%0.717SS**  trans-51.3123.9168.400000109Q2 A6Q2-A4 PolarHBondContact O-N 3.34Å; A4-A6 PolarHBondContact O-N 3.24Å
5S38.7Very low48.5Very low119 Ų119121.1 Ų121.183%0.83270%0.699SS**  trans-62.790.1168.5-55.50000108R3 N7R3-S5 PolarHBondContact O-N 2.83Å; S5-N7 PolarHBondContact O-N 3.13Å
6A42.7Very low50.9Low84 Ų84118.3 Ų118.369%0.69468%0.676SS**  trans-60.5120.3173.800000108.5A4 V8A4-A6 PolarHBondContact O-N 3.24Å; A6-V8 PolarHBondContact O-N 2.88Å
7N42.3Very low53.3Low150 Ų150117.8 Ų117.880%0.80266%0.661SS**  trans-30.291.3175.9-68.8-37.9000114.5S5 I9S5-N7 PolarHBondContact O-N 3.13Å; N7-I9 HydrophobicContact CB-CG1 4.34Å; N7-I9 PolarHBondContact O-N 3.45Å
8V39.3Very low55.5Low139 Ų139117.3 Ų117.384%0.84266%0.657SS**  trans-79.183.1161.5-176.40000106.9A6 S10A6-V8 PolarHBondContact O-N 2.88Å; V8-S10 PolarHBondContact O-N 2.86Å
9I43.2Very low57.7Low110 Ų110114.2 Ų114.256%0.56464%0.638SS**  trans-69.8109.9166.7-58.3176.7000105.8N7 N13 A14N7-I9 HydrophobicContact CB-CG1 4.34Å; N7-I9 PolarHBondContact O-N 3.45Å; I9-N13 HydrophobicContact CG2-CB 3.68Å; I9-A14 HydrophobicContact CG2-CB 4.06Å
10S47.3Very low59.6Low53 Ų53109.2 Ų109.237%0.37161%0.61SS.*  trans-58151.3177.469.10000111.1V8 A12 N13 A14V8-S10 PolarHBondContact O-N 2.86Å; S10-A12 PolarHBondContact O-N 3.41Å; S10-A12 VanDerWaalsContact O-N 3.13Å; S10-N13 CarbonylContact O-C 3.56Å; S10-N13 WeakPolarHBondContact O-CA 3.23Å; S10-N13 WeakPolarHBondContact O-CB 3.44Å; S10-N13 PolarHBondContact O-N 2.97Å; S10-N13 PolarHBondContact OG-N 3.23Å; S10-N13 PolarHBondContact OG-ND2 2.85Å; S10-A14 PolarHBondContact O-N 3.38Å
11V46.5Very low61.4Low127 Ų127106.9 Ų106.977%0.7760%0.596SS**Hα-helixtrans-53.4-36.7179.9177.30000112.2A14 S15V11-A14 PolarHBondContact O-N 3.18Å; V11-S15 VanDerWaalsContact O-CB 3.23Å; V11-S15 WeakPolarHBondContact O-CB 3.4Å; V11-S15 PolarHBondContact O-N 3.39Å
12A63.6Low64.3Low73 Ų73101 Ų10160%0.60356%0.564SS**Hα-helixtrans-64.3-39.2174.800000112.5S10 K16S10-A12 PolarHBondContact O-N 3.41Å; S10-A12 VanDerWaalsContact O-N 3.13Å; A12-K16 WeakPolarHBondContact O-CB 3.32Å; A12-K16 PolarHBondContact O-N 3.26Å
13N68Low67.2Low91 Ų9191.5 Ų91.549%0.48752%0.52SS..Hα-helixtrans-73.2-39176-76.2-17.7000112.3I9 S10 K16 R17I9-N13 HydrophobicContact CG2-CB 3.68Å; S10-N13 CarbonylContact O-C 3.56Å; S10-N13 WeakPolarHBondContact O-CA 3.23Å; S10-N13 WeakPolarHBondContact O-CB 3.44Å; S10-N13 PolarHBondContact O-N 2.97Å; S10-N13 PolarHBondContact OG-N 3.23Å; S10-N13 PolarHBondContact OG-ND2 2.85Å; N13-K16 PolarHBondContact O-N 2.98Å; N13-R17 PolarHBondContact O-N 3.46Å
14A65.1Low70.2Confident37 Ų3780.6 Ų80.631%0.30648%0.481SS..Hα-helixtrans-63.8-44.7174.800000111I9 S10 V11 K16 R17 N18I9-A14 HydrophobicContact CG2-CB 4.06Å; S10-A14 PolarHBondContact O-N 3.38Å; V11-A14 PolarHBondContact O-N 3.18Å; A14-K16 PolarHBondContact O-N 3.04Å; A14-R17 PolarHBondContact O-N 2.89Å; A14-N18 VanDerWaalsContact O-CG 3.29Å; A14-N18 PolarHBondContact O-N 3.21Å
15S84.1Confident73Confident64 Ų6482.1 Ų82.145%0.44847%0.472SS..Hα-helixtrans-58.7-45.2173178.40000111.7V11 R17 N18 L19V11-S15 VanDerWaalsContact O-CB 3.23Å; V11-S15 WeakPolarHBondContact O-CB 3.4Å; V11-S15 PolarHBondContact O-N 3.39Å; S15-R17 PolarHBondContact O-N 3.49Å; S15-N18 PolarHBondContact O-N 3.06Å; S15-L19 WeakPolarHBondContact O-CG 3.38Å; S15-L19 PolarHBondContact O-N 3.3Å
16K87.2Confident75.8Confident76 Ų7682.4 Ų82.433%0.3346%0.455SS..Hα-helixtrans-62.6-42.3175.5177.5173.1-82.3-175.90112.3A12 N13 A14 L19 I20 E277 A278A12-K16 WeakPolarHBondContact O-CB 3.32Å; A12-K16 PolarHBondContact O-N 3.26Å; N13-K16 PolarHBondContact O-N 2.98Å; A14-K16 PolarHBondContact O-N 3.04Å; K16-L19 PolarHBondContact O-N 2.99Å; K16-I20 HydrophobicContact CG-CD1 4.05Å; K16-I20 WeakPolarHBondContact O-CG1 3.37Å; K16-I20 PolarHBondContact O-N 3.39Å; K16-E277 WeakPolarHBondContact CE-O 3.44Å; K16-E277 PolarHBondContact NZ-O 3.33Å; K16-A278 HydrophobicContact CD-CB 4.12Å
17R90.9Very high78.4Confident110 Ų11079.3 Ų79.342%0.41543%0.427SS..Hα-helixtrans-61.4-46.6177.5-176.967.7-153.9-174.96.7111N13 A14 S15 L19 I20 D21N13-R17 PolarHBondContact O-N 3.46Å; A14-R17 PolarHBondContact O-N 2.89Å; S15-R17 PolarHBondContact O-N 3.49Å; R17-L19 VanDerWaalsContact C-N 3.28Å; R17-L19 PolarHBondContact O-N 2.85Å; R17-I20 WeakPolarHBondContact O-CA 3.43Å; R17-I20 WeakPolarHBondContact O-CB 3.34Å; R17-I20 PolarHBondContact O-N 2.99Å; R17-D21 IonicContact CZ-OD1 2.71Å; R17-D21 IonicContact NE-OD1 3.39Å; R17-D21 PolarHBondContact NE-OD1 3.46Å; R17-D21 IonicContact NE-OD2 3.63Å; R17-D21 PolarHBondContact NE-OD2 3.28Å; R17-D21 IonicContact NH2-OD1 3.25Å; R17-D21 PolarHBondContact NH2-OD1 3.46Å; R17-D21 PolarHBondContact O-N 3.44Å
18N93.9Very high81Confident109 Ų10979.7 Ų79.758%0.58342%0.424SS*.Hα-helixtrans-58.3-38.6175.9-68.3-13.9000112.6A14 S15 K22A14-N18 VanDerWaalsContact O-CG 3.29Å; A14-N18 PolarHBondContact O-N 3.21Å; S15-N18 PolarHBondContact O-N 3.06Å; N18-K22 VanDerWaalsContact O-CB 3.32Å; N18-K22 WeakPolarHBondContact O-CB 3.43Å; N18-K22 PolarHBondContact O-N 3.32Å
19L95.8Very high83.7Confident59 Ų5977.8 Ų77.831%0.30942%0.416SS..Hα-helixtrans-67.6-35.1175.4-68.9171.7000112.5S15 K16 R17 L23 L274 V276S15-L19 WeakPolarHBondContact O-CG 3.38Å; S15-L19 PolarHBondContact O-N 3.3Å; K16-L19 PolarHBondContact O-N 2.99Å; R17-L19 VanDerWaalsContact C-N 3.28Å; R17-L19 PolarHBondContact O-N 2.85Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 PolarHBondContact O-N 3.45Å; L19-L274 HydrophobicContact CD2-CD1 3.72Å; L19-V276 HydrophobicContact CB-CG2 4.14Å
20I96.8Very high86.4Confident14 Ų1473.7 Ų73.77%0.07240%0.395CS..Hα-helixtrans-68.3-46.3175.1-67.1166.6000110.3K16 R17 K22 L23 G24 V276 V283 L287K16-I20 HydrophobicContact CG-CD1 4.05Å; K16-I20 WeakPolarHBondContact O-CG1 3.37Å; K16-I20 PolarHBondContact O-N 3.39Å; R17-I20 WeakPolarHBondContact O-CA 3.43Å; R17-I20 WeakPolarHBondContact O-CB 3.34Å; R17-I20 PolarHBondContact O-N 2.99Å; I20-K22 VanDerWaalsContact C-N 3.35Å; I20-K22 PolarHBondContact O-N 3.18Å; I20-L23 WeakPolarHBondContact O-CB 3.38Å; I20-L23 PolarHBondContact O-N 2.76Å; I20-L23 VanDerWaalsContact O-N 3.11Å; I20-G24 PolarHBondContact O-N 2.92Å; I20-V276 HydrophobicContact CG1-CG1 3.84Å; I20-V283 HydrophobicContact CD1-CG2 4.1Å; I20-V283 HydrophobicContact CG1-CG1 4.28Å; I20-V283 HydrophobicContact CG1-CG2 4.21Å; I20-V283 HydrophobicContact CG2-CG1 4.46Å; I20-L287 HydrophobicContact CG2-CD2 3.83Å; I20-L287 HydrophobicContact CG2-CG 4.44Å; I20-L287 WeakPolarHBondContact O-CD2 3.46Å
21D96.5Very high88.8Confident60 Ų6080 Ų8032%0.32142%0.415SS..Hα-helixtrans-61.8-45.5178.9-62.9-31.2000110.4R17 L23 G24 E25R17-D21 IonicContact CZ-OD1 2.71Å; R17-D21 IonicContact NE-OD1 3.39Å; R17-D21 PolarHBondContact NE-OD1 3.46Å; R17-D21 IonicContact NE-OD2 3.63Å; R17-D21 PolarHBondContact NE-OD2 3.28Å; R17-D21 IonicContact NH2-OD1 3.25Å; R17-D21 PolarHBondContact NH2-OD1 3.46Å; R17-D21 PolarHBondContact O-N 3.44Å; D21-L23 VanDerWaalsContact C-N 3.3Å; D21-L23 PolarHBondContact O-N 3.17Å; D21-G24 PolarHBondContact O-N 3.46Å; D21-G24 VanDerWaalsContact O-N 3.11Å; D21-E25 WeakPolarHBondContact O-CG 3.3Å; D21-E25 PolarHBondContact O-N 2.83Å
22K97.3Very high91.2Very high115 Ų11579.4 Ų79.450%0.540%0.399SS..Hα-helixtrans-60.8-37.1173.4-171.3174.7-175.3175.90112.6N18 I20 R26 L274N18-K22 VanDerWaalsContact O-CB 3.32Å; N18-K22 WeakPolarHBondContact O-CB 3.43Å; N18-K22 PolarHBondContact O-N 3.32Å; I20-K22 VanDerWaalsContact C-N 3.35Å; I20-K22 PolarHBondContact O-N 3.18Å; K22-R26 HydrophobicContact CG-CG 4.46Å; K22-R26 WeakPolarHBondContact O-CB 3.43Å; K22-R26 WeakPolarHBondContact O-CG 3.11Å; K22-R26 PolarHBondContact O-N 2.84Å; K22-R26 VanDerWaalsContact O-N 3.12Å; K22-L274 HydrophobicContact CB-CD2 4.42Å; K22-L274 HydrophobicContact CD-CD1 4.4Å; K22-L274 HydrophobicContact CG-CD2 4.28Å
23L98.1Very high92.9Very high1 Ų176.1 Ų76.11%0.00537%0.371CS..Hα-helixtrans-62.2-46.3174.2175.762.7000110.5L19 I20 D21 R26 L27 L233 F259 V261 L274 V276 V283 L287L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 PolarHBondContact O-N 3.45Å; I20-L23 WeakPolarHBondContact O-CB 3.38Å; I20-L23 PolarHBondContact O-N 2.76Å; I20-L23 VanDerWaalsContact O-N 3.11Å; D21-L23 VanDerWaalsContact C-N 3.3Å; D21-L23 PolarHBondContact O-N 3.17Å; L23-R26 PolarHBondContact O-N 2.86Å; L23-L27 HydrophobicContact CD1-CD1 3.91Å; L23-L27 HydrophobicContact CD1-CD2 4.4Å; L23-L27 HydrophobicContact CD1-CG 3.92Å; L23-L27 HydrophobicContact CG-CD1 3.86Å; L23-L27 HydrophobicContact CG-CG 4.28Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 3.16Å; L23-L233 HydrophobicContact CD1-CD1 4.49Å; L23-F259 HydrophobicContact CD1-CB 3.62Å; L23-F259 HydrophobicContact CD1-CD1 3.77Å; L23-F259 HydrophobicContact CD1-CG 3.78Å; L23-V261 HydrophobicContact CD2-CG2 3.57Å; L23-L274 HydrophobicContact CB-CD2 3.83Å; L23-L274 HydrophobicContact CD1-CD2 4.31Å; L23-V276 HydrophobicContact CB-CG2 4.28Å; L23-V276 HydrophobicContact CD2-CG2 3.95Å; L23-V283 HydrophobicContact CD2-CG1 3.98Å; L23-L287 HydrophobicContact CD2-CD1 4.09Å; L23-L287 HydrophobicContact CG-CD1 4.33Å
24G97.8Very high94.4Very high8 Ų871.8 Ų71.88%0.08235%0.348CS..Hα-helixtrans-58.1-50.7177.600000112.9I20 D21 R26 L27 Q28I20-G24 PolarHBondContact O-N 2.92Å; D21-G24 PolarHBondContact O-N 3.46Å; D21-G24 VanDerWaalsContact O-N 3.11Å; G24-R26 VanDerWaalsContact C-N 3.28Å; G24-R26 PolarHBondContact O-N 3.02Å; G24-L27 PolarHBondContact O-N 2.98Å; G24-Q28 WeakPolarHBondContact O-CG 3.33Å; G24-Q28 PolarHBondContact O-N 3.26Å
25E97.7Very high96Very high125 Ų12570 Ų7058%0.58433%0.334SS*.Hα-helixtrans-54.7-44.2176-69.8171.9-178.200112D21 C29D21-E25 WeakPolarHBondContact O-CG 3.3Å; D21-E25 PolarHBondContact O-N 2.83Å; E25-C29 PolarHBondContact O-SG 3.3Å
26R97.9Very high96.7Very high126 Ų12667 Ų6748%0.47531%0.313SS..Hα-helixtrans-71.4-36.4-178.7-65.1-66.5-68.4-171.8-1.2112.5K22 L23 G24 C29 F259K22-R26 HydrophobicContact CG-CG 4.46Å; K22-R26 WeakPolarHBondContact O-CB 3.43Å; K22-R26 WeakPolarHBondContact O-CG 3.11Å; K22-R26 PolarHBondContact O-N 2.84Å; K22-R26 VanDerWaalsContact O-N 3.12Å; L23-R26 PolarHBondContact O-N 2.86Å; G24-R26 VanDerWaalsContact C-N 3.28Å; G24-R26 PolarHBondContact O-N 3.02Å; R26-C29 PolarHBondContact O-N 2.61Å; R26-F259 HydrophobicContact CB-CE1 3.58Å; R26-F259 HydrophobicContact CB-CZ 3.65Å; R26-F259 HydrophobicContact CG-CE1 4.21Å
27L97.9Very high97.2Very high18 Ų1863.4 Ų63.49%0.09430%0.297CS..Hα-helixtrans-68-35.9177-71.7175.9000111.9L23 G24 C29 I30 L33 W107 L233 F259 L287L23-L27 HydrophobicContact CD1-CD1 3.91Å; L23-L27 HydrophobicContact CD1-CD2 4.4Å; L23-L27 HydrophobicContact CD1-CG 3.92Å; L23-L27 HydrophobicContact CG-CD1 3.86Å; L23-L27 HydrophobicContact CG-CG 4.28Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 3.16Å; G24-L27 PolarHBondContact O-N 2.98Å; L27-C29 PolarHBondContact O-N 3.12Å; L27-I30 PolarHBondContact O-N 3.26Å; L27-L33 HydrophobicContact CD2-CD1 3.79Å; L27-L33 HydrophobicContact CD2-CD2 3.99Å; L27-W107 HydrophobicContact CD1-CH2 4.18Å; L27-W107 HydrophobicContact CD1-CZ3 4.37Å; L27-L233 HydrophobicContact CD1-CD2 4.17Å; L27-L233 HydrophobicContact CD2-CB 4.43Å; L27-L233 HydrophobicContact CD2-CD2 4.49Å; L27-F259 HydrophobicContact CD2-CD2 3.74Å; L27-F259 HydrophobicContact CD2-CE2 4.13Å; L27-F259 HydrophobicContact CD2-CG 4.31Å; L27-L287 HydrophobicContact CD1-CD1 3.97Å
28Q96.4Very high97.5Very high159 Ų15958.2 Ų58.274%0.74328%0.278SS*.Hα-helixtrans-60.8-23.7175.3-72.31759.400113.3G24G24-Q28 WeakPolarHBondContact O-CG 3.33Å; G24-Q28 PolarHBondContact O-N 3.26Å
29C96.5Very high97.6Very high99 Ų9953.5 Ų53.567%0.66925%0.254SS*.THydrogen-bonded Turntrans-83-9.7176-59.50000114.1E25 R26 L27E25-C29 PolarHBondContact O-SG 3.3Å; R26-C29 PolarHBondContact O-N 2.61Å; L27-C29 PolarHBondContact O-N 3.12Å
30I98.3Very high97.7Very high24 Ų2451.3 Ų51.312%0.12325%0.246CC..  trans-90.4117.7-176.8-53.8-56.1000109.6L27 L33 D230 P257 F259L27-I30 PolarHBondContact O-N 3.26Å; I30-L33 HydrophobicContact CG2-CB 3.94Å; I30-L33 HydrophobicContact CG2-CD1 4.09Å; I30-D230 HydrophobicContact CG2-CB 4.17Å; I30-P257 HydrophobicContact CD1-CG 3.68Å; I30-F259 HydrophobicContact CD1-CE2 4.19Å; I30-F259 HydrophobicContact CG1-CE2 4.09Å
31K97.6Very high97.7Very high185 Ų18550.8 Ų50.880%0.80424%0.243SC*.SBendtrans-75.9-49.1179.7-64.2178.9-179.6178.60112.2D230K31-D230 WeakPolarHBondContact CB-OD2 3.47Å
32R98.4Very high97.8Very high115 Ų11547.9 Ų47.943%0.43423%0.228SC..SBendtrans-111.688.1175-67.2175.5-64.7-116.4-6.1110.7L34 H114 E228 A229 D230R32-L34 PolarHBondContact O-N 3.11Å; R32-H114 HydrophobicContact CB-CB 4Å; R32-E228 WeakPolarHBondContact CD-O 3.43Å; R32-E228 PolarHBondContact NE-O 2.62Å; R32-A229 CarbonylContact O-C 3.39Å; R32-A229 WeakPolarHBondContact O-CA 3.36Å; R32-D230 WeakPolarHBondContact CB-OD2 3.45Å; R32-D230 IonicContact CZ-OD1 3.13Å; R32-D230 IonicContact CZ-OD2 3.71Å; R32-D230 PolarHBondContact N-OD2 2.88Å; R32-D230 IonicContact NE-OD1 2.75Å; R32-D230 IonicContact NE-OD2 3.17Å; R32-D230 PolarHBondContact NE-OD2 3.42Å; R32-D230 IonicContact NH2-OD1 3.99Å; R32-D230 PolarHBondContact NH2-OD1 3.38Å; R32-D230 IonicContact NH2-OD2 2.67Å; R32-D230 PolarHBondContact NH2-OD2 2.93Å; R32-D230 PolarHBondContact O-N 2.91Å
33L98.7Very high97.7Very high3 Ų344.5 Ų44.52%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-81.3116.5178.4-178.464.2000111.1L27 I30 V35 A112 V113 H114 L233L27-L33 HydrophobicContact CD2-CD1 3.79Å; L27-L33 HydrophobicContact CD2-CD2 3.99Å; I30-L33 HydrophobicContact CG2-CB 3.94Å; I30-L33 HydrophobicContact CG2-CD1 4.09Å; L33-V35 HydrophobicContact CD2-CG2 4.32Å; L33-V35 HydrophobicContact CG-CG2 4.22Å; L33-A112 WeakPolarHBondContact CB-O 3.39Å; L33-V113 HydrophobicContact CD2-CG2 4.21Å; L33-H114 WeakPolarHBondContact O-CB 3.47Å; L33-H114 PolarHBondContact O-N 3.17Å; L33-L233 HydrophobicContact CD1-CB 4Å
34L98.9Very high97.6Very high0 Ų047.8 Ų47.80%023%0.234CC..EExtended strand (participates in β ladder)trans-87.5137.6166.3-178.966.7000109.4R32 W115 V117 R225 V226 A229 G231 L232 L233R32-L34 PolarHBondContact O-N 3.11Å; L34-W115 HydrophobicContact CD1-CB 3.9Å; L34-V117 HydrophobicContact CD1-CG2 3.95Å; L34-R225 HydrophobicContact CD1-CB 4.2Å; L34-V226 HydrophobicContact CD2-CB 4.37Å; L34-V226 HydrophobicContact CD2-CG2 3.58Å; L34-A229 HydrophobicContact CB-CB 3.62Å; L34-A229 HydrophobicContact CD2-CB 4.42Å; L34-G231 PolarHBondContact N-O 3.42Å; L34-L232 HydrophobicContact CB-CD1 4.34Å; L34-L232 HydrophobicContact CD2-CD1 4.21Å; L34-L232 HydrophobicContact CG-CD1 4.12Å; L34-L232 CarbonylContact O-C 3.58Å; L34-L232 WeakPolarHBondContact O-CA 3.17Å; L34-L233 PolarHBondContact O-N 3.33Å
35V98.9Very high97.5Very high0 Ų048.2 Ų48.20%024%0.236CC..EExtended strand (participates in β ladder)trans-117.2129176.5-176.30000109.6L33 T37 L104 V113 W115 V116 V117 L233 L235L33-V35 HydrophobicContact CD2-CG2 4.32Å; L33-V35 HydrophobicContact CG-CG2 4.22Å; V35-T37 HydrophobicContact CG1-CG2 3.76Å; V35-L104 HydrophobicContact CG1-CD1 4.24Å; V35-L104 HydrophobicContact CG1-CD2 4.12Å; V35-L104 HydrophobicContact CG2-CD2 4.16Å; V35-V113 HydrophobicContact CG2-CG1 3.96Å; V35-V113 HydrophobicContact CG2-CG2 3.93Å; V35-W115 PolarHBondContact N-O 2.82Å; V35-V116 HydrophobicContact CB-CG2 4.24Å; V35-V116 CarbonylContact O-C 3.59Å; V35-V116 WeakPolarHBondContact O-CA 3.37Å; V35-V117 PolarHBondContact O-N 2.95Å; V35-L233 CarbonylContact C-O 3.58Å; V35-L233 VanDerWaalsContact CA-O 3.28Å; V35-L233 WeakPolarHBondContact CA-O 3.18Å; V35-L233 HydrophobicContact CG2-CB 4.41Å; V35-L235 HydrophobicContact CG1-CD1 3.6Å; V35-L235 HydrophobicContact CG1-CG 4.21Å
36I98.7Very high97.3Very high1 Ų144.7 Ų44.71%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-108.8128.1169.1-67.8171.4000109V117 L232 L233 V234 L235 L247 V248I36-V117 CarbonylContact C-O 3.58Å; I36-V117 VanDerWaalsContact CA-O 3.26Å; I36-V117 WeakPolarHBondContact CA-O 3.29Å; I36-V117 HydrophobicContact CG1-CB 4.29Å; I36-L232 HydrophobicContact CB-CD1 4.22Å; I36-L232 HydrophobicContact CD1-CD1 3.68Å; I36-L232 HydrophobicContact CD1-CD2 4.11Å; I36-L232 HydrophobicContact CG1-CD1 3.7Å; I36-L233 PolarHBondContact N-O 2.67Å; I36-V234 CarbonylContact O-C 3.58Å; I36-V234 WeakPolarHBondContact O-CA 3.25Å; I36-L235 PolarHBondContact O-N 3.35Å; I36-L247 HydrophobicContact CD1-CB 3.63Å; I36-L247 HydrophobicContact CD1-CD1 3.93Å; I36-L247 HydrophobicContact CD1-CG 4.42Å; I36-V248 HydrophobicContact CD1-CG2 4.14Å
37T98.7Very high97Very high0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-119.5155.1179.667.10000112.1V35 L41 L104 V116 V117 T118 Q119 H125 L235V35-T37 HydrophobicContact CG1-CG2 3.76Å; T37-L41 HydrophobicContact CG2-CD2 3.61Å; T37-L104 HydrophobicContact CG2-CD1 4.14Å; T37-V116 HydrophobicContact CG2-CG1 4.14Å; T37-V117 PolarHBondContact N-O 3.27Å; T37-T118 WeakPolarHBondContact OG1-CA 3.17Å; T37-T118 WeakPolarHBondContact OG1-CB 3.36Å; T37-T118 PolarHBondContact OG1-OG1 2.9Å; T37-T118 VanDerWaalsContact OG1-OG1 3.08Å; T37-Q119 PolarHBondContact O-N 3.35Å; T37-Q119 PolarHBondContact O-NE2 3.45Å; T37-H125 PolarHBondContact OG1-NE2 2.96Å; T37-L235 WeakPolarHBondContact CA-O 3.31Å; T37-L235 HydrophobicContact CG2-CB 4.22Å; T37-L235 HydrophobicContact CG2-CD1 4.17Å
38G97.8Very high96.6Very high1 Ų139.3 Ų39.31%0.0122%0.216CC..  trans-146-168.9169.900000112.2G40 L41 N120 L235 G236G38-G40 PolarHBondContact O-N 3.02Å; G38-G40 VanDerWaalsContact O-N 3.1Å; G38-L41 WeakPolarHBondContact O-CB 3.32Å; G38-L41 PolarHBondContact O-N 3.03Å; G38-N120 VanDerWaalsContact C-CG 3.48Å; G38-N120 WeakPolarHBondContact CA-OD1 3.38Å; G38-N120 PolarHBondContact O-ND2 3.34Å; G38-L235 PolarHBondContact N-O 3.48Å; G38-L235 VanDerWaalsContact N-O 3.08Å; G38-G236 CarbonylContact C-O 3.53Å
39A95.5Very high96.3Very high11 Ų1132.5 Ų32.59%0.09118%0.184CC..Hα-helixtrans-63.4-25.4-163.700000114.1L41 S42 T43 D49 Y50 N120 P177 G236A39-L41 PolarHBondContact O-N 2.74Å; A39-S42 PolarHBondContact O-N 2.99Å; A39-T43 PolarHBondContact O-N 3.11Å; A39-D49 HydrophobicContact CB-CB 3.83Å; A39-Y50 HydrophobicContact CB-CD2 4.39Å; A39-N120 VanDerWaalsContact CA-OD1 3.29Å; A39-N120 WeakPolarHBondContact CA-OD1 3.48Å; A39-N120 PolarHBondContact N-OD1 2.73Å; A39-P177 HydrophobicContact CB-CB 4.08Å; A39-G236 PolarHBondContact N-O 2.92Å
40G96.6Very high95.7Very high13 Ų1330.3 Ų30.313%0.13416%0.162CC..Hα-helixtrans-63.3-17.2173.700000114.2G38 T43 G236G38-G40 PolarHBondContact O-N 3.02Å; G38-G40 VanDerWaalsContact O-N 3.1Å; G40-T43 PolarHBondContact O-OG1 2.72Å; G40-G236 WeakPolarHBondContact CA-O 3.38Å; G40-G236 PolarHBondContact N-O 2.87Å
41L98.1Very high95.1Very high2 Ų234.3 Ų34.31%0.0118%0.176CC..Hα-helixtrans-77.3-31.1169.4-177.563.6000111.3T37 G38 A39 N98 L104 C280 L284T37-L41 HydrophobicContact CG2-CD2 3.61Å; G38-L41 WeakPolarHBondContact O-CB 3.32Å; G38-L41 PolarHBondContact O-N 3.03Å; A39-L41 PolarHBondContact O-N 2.74Å; L41-N98 PolarHBondContact O-ND2 3.33Å; L41-L104 HydrophobicContact CD2-CD1 4.06Å; L41-C280 HydrophobicContact CD1-CB 3.57Å; L41-L284 HydrophobicContact CD1-CD1 4.4Å
42S97.8Very high94.5Very high0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-88.6-4.2-175.3-55.50000114A39 D44 S45 I47 N120 D122A39-S42 PolarHBondContact O-N 2.99Å; S42-D44 VanDerWaalsContact C-N 3.29Å; S42-D44 PolarHBondContact O-N 3.48Å; S42-S45 WeakPolarHBondContact O-CA 3.48Å; S42-S45 VanDerWaalsContact O-CB 3.23Å; S42-S45 WeakPolarHBondContact O-CB 2.97Å; S42-S45 PolarHBondContact O-N 3Å; S42-I47 CarbonylContact C-O 3.53Å; S42-I47 PolarHBondContact O-N 3.23Å; S42-N120 PolarHBondContact OG-ND2 2.97Å; S42-D122 WeakPolarHBondContact CB-OD2 3.49Å; S42-D122 PolarHBondContact OG-OD2 2.95Å
43T95.7Very high93.7Very high44 Ų4431.4 Ų31.427%0.2717%0.169SC..G310 helixtrans-58-39.9179.855.90000113A39 G40 S45 G46 I47 D49A39-T43 PolarHBondContact O-N 3.11Å; G40-T43 PolarHBondContact O-OG1 2.72Å; T43-S45 PolarHBondContact O-N 3.43Å; T43-G46 PolarHBondContact O-N 3.21Å; T43-G46 VanDerWaalsContact O-N 3.09Å; T43-I47 WeakPolarHBondContact CA-O 3.45Å; T43-I47 PolarHBondContact N-O 3.3Å; T43-D49 HydrophobicContact CG2-CB 3.95Å
44D95.7Very high92.8Very high70 Ų7034.2 Ų34.237%0.37420%0.199SC..G310 helixtrans-73-7.9178.1-65.3-4.3000112.6S42 N98 N279S42-D44 VanDerWaalsContact C-N 3.29Å; S42-D44 PolarHBondContact O-N 3.48Å; D44-N98 HydrophobicContact CB-CB 3.79Å; D44-N279 VanDerWaalsContact CG-ND2 3.26Å; D44-N279 PolarHBondContact OD1-ND2 3.29Å; D44-N279 PolarHBondContact OD2-ND2 3.13Å; D44-N279 PolarHBondContact OD2-OD1 3Å
45S96.7Very high91.9Very high17 Ų1738.7 Ų38.712%0.11923%0.227CC..G310 helixtrans-93.24.3172.2-67.20000113.1S42 T43 I47 Q96 N98S42-S45 WeakPolarHBondContact O-CA 3.48Å; S42-S45 VanDerWaalsContact O-CB 3.23Å; S42-S45 WeakPolarHBondContact O-CB 2.97Å; S42-S45 PolarHBondContact O-N 3Å; T43-S45 PolarHBondContact O-N 3.43Å; S45-I47 VanDerWaalsContact C-N 3.35Å; S45-Q96 WeakPolarHBondContact CB-O 3.27Å; S45-Q96 PolarHBondContact OG-O 3.36Å; S45-N98 WeakPolarHBondContact OG-CB 3.49Å; S45-N98 PolarHBondContact OG-N 3.24Å; S45-N98 VanDerWaalsContact OG-N 3.07Å; S45-N98 PolarHBondContact OG-ND2 2.73Å
46G92.3Very high90.8Very high51 Ų5138.7 Ų38.753%0.52623%0.227SC..THydrogen-bonded Turntrans83.95.2-178.200000114.6T43T43-G46 PolarHBondContact O-N 3.21Å; T43-G46 VanDerWaalsContact O-N 3.09Å
47I91.5Very high89.8Confident3 Ų338.8 Ų38.82%0.01523%0.227CC..  trans-97.6116.1173.5-58.5177.3000107.6S42 T43 S45 F92 C95 D122 L124S42-I47 CarbonylContact C-O 3.53Å; S42-I47 PolarHBondContact O-N 3.23Å; T43-I47 WeakPolarHBondContact CA-O 3.45Å; T43-I47 PolarHBondContact N-O 3.3Å; S45-I47 VanDerWaalsContact C-N 3.35Å; I47-F92 HydrophobicContact CD1-CD2 4.27Å; I47-F92 HydrophobicContact CD1-CE2 3.89Å; I47-F92 HydrophobicContact CD1-CZ 4.44Å; I47-F92 HydrophobicContact CG2-CE2 4.45Å; I47-C95 HydrophobicContact CD1-CB 3.99Å; I47-C95 HydrophobicContact CG1-CB 4.09Å; I47-D122 HydrophobicContact CD1-CB 3.59Å; I47-L124 HydrophobicContact CD1-CD1 4.1Å
48P89.6Confident88.9Confident28 Ų2843.7 Ų43.718%0.18225%0.253CS..  trans-66.7162.9-177.927.4-32000111.2W60 I175 P177P48-W60 HydrophobicContact CG-CZ2 4.22Å; P48-I175 WeakPolarHBondContact CD-O 3.33Å; P48-I175 WeakPolarHBondContact CG-O 3.41Å; P48-P177 VanDerWaalsContact O-CB 3.24Å; P48-P177 WeakPolarHBondContact O-CB 3.11Å; P48-P177 WeakPolarHBondContact O-CG 3.29Å
49D89.9Confident87.9Confident15 Ų1546.6 Ų46.68%0.0828%0.276CS..  trans-91.2-178.6166.472.843.8000111.6A39 T43 R51 S52 G56 R57A39-D49 HydrophobicContact CB-CB 3.83Å; T43-D49 HydrophobicContact CG2-CB 3.95Å; D49-R51 PolarHBondContact OD1-N 2.92Å; D49-S52 WeakPolarHBondContact OD1-CB 3.46Å; D49-S52 PolarHBondContact OD1-N 2.81Å; D49-S52 PolarHBondContact OD1-OG 3.18Å; D49-S52 WeakPolarHBondContact OD2-CB 3.49Å; D49-S52 PolarHBondContact OD2-OG 2.91Å; D49-G56 CarbonylContact O-C 3.5Å; D49-G56 VanDerWaalsContact O-CA 3.24Å; D49-G56 WeakPolarHBondContact O-CA 3.48Å; D49-G56 WeakPolarHBondContact OD1-CA 3.39Å; D49-R57 PolarHBondContact O-N 3.17Å
50Y84.8Confident86.9Confident54 Ų5450.7 Ų50.721%0.21229%0.29CS..SBendtrans-83.2-31.9179.1-72.2-82.7000114.2A39 R57 L58 P177A39-Y50 HydrophobicContact CB-CD2 4.39Å; Y50-R57 PolarHBondContact O-N 2.92Å; Y50-L58 WeakPolarHBondContact O-CB 3.39Å; Y50-L58 VanDerWaalsContact O-CG 3.25Å; Y50-L58 WeakPolarHBondContact O-CG 3.38Å; Y50-L58 PolarHBondContact O-N 2.78Å; Y50-P177 HydrophobicContact CD1-CG 3.88Å; Y50-P177 HydrophobicContact CD2-CB 3.9Å; Y50-P177 HydrophobicContact CD2-CG 3.74Å; Y50-P177 HydrophobicContact CE1-CB 4.27Å; Y50-P177 HydrophobicContact CE1-CG 3.81Å; Y50-P177 HydrophobicContact CE2-CB 3.44Å; Y50-P177 VanDerWaalsContact CE2-CB 3.44Å; Y50-P177 HydrophobicContact CE2-CG 3.68Å; Y50-P177 HydrophobicContact CG-CB 4.49Å; Y50-P177 HydrophobicContact CG-CG 3.84Å
51R85.4Confident85.8Confident108 Ų10850.8 Ų50.841%0.40829%0.288SS..SBendtrans-133.3-5.2-154.3-64.5-175-173.9761.8115.7D49 K53 L58 S238D49-R51 PolarHBondContact OD1-N 2.92Å; R51-K53 PolarHBondContact O-N 3.01Å; R51-L58 HydrophobicContact CG-CD1 4.06Å; R51-S238 WeakPolarHBondContact CD-OG 3.33Å; R51-S238 PolarHBondContact NH1-OG 3.36Å
52S84.7Confident84.4Confident26 Ų2656.1 Ų56.118%0.18233%0.326CS..SBendtrans-59.9135.3175.4-81.20000110.5D49 G54 T55 G56D49-S52 WeakPolarHBondContact OD1-CB 3.46Å; D49-S52 PolarHBondContact OD1-N 2.81Å; D49-S52 PolarHBondContact OD1-OG 3.18Å; D49-S52 WeakPolarHBondContact OD2-CB 3.49Å; D49-S52 PolarHBondContact OD2-OG 2.91Å; S52-G54 PolarHBondContact O-N 3.21Å; S52-T55 WeakPolarHBondContact CB-OG1 3.45Å; S52-T55 PolarHBondContact O-N 2.79Å; S52-G56 WeakPolarHBondContact O-CA 3.29Å; S52-G56 PolarHBondContact O-N 3.03Å
53K81.6Confident83.1Confident212 Ų21258.5 Ų58.592%0.92234%0.338SS*.THydrogen-bonded Turntrans-63.7125.7-177.9-172.1179179.7-178.20109.8R51 T55R51-K53 PolarHBondContact O-N 3.01Å; K53-T55 PolarHBondContact O-N 3.33Å
54G80.1Confident81.9Confident62 Ų6263 Ų6364%0.63936%0.36SS*.THydrogen-bonded Turntrans80.7-22.9177.800000115.5S52S52-G54 PolarHBondContact O-N 3.21Å
55T79.3Confident81.1Confident95 Ų9560.8 Ų60.858%0.58335%0.349SS*.THydrogen-bonded Turntrans-121.3-25.2-176.255.90000114.5S52 K53 W60S52-T55 WeakPolarHBondContact CB-OG1 3.45Å; S52-T55 PolarHBondContact O-N 2.79Å; K53-T55 PolarHBondContact O-N 3.33Å; T55-W60 PolarHBondContact O-NE1 3.4Å
56G76.8Confident80.7Confident0 Ų061.1 Ų61.10%035%0.351CS..SBendtrans-69.9152177.900000112D49 S52 L58 A59 W60D49-G56 CarbonylContact O-C 3.5Å; D49-G56 VanDerWaalsContact O-CA 3.24Å; D49-G56 WeakPolarHBondContact O-CA 3.48Å; D49-G56 WeakPolarHBondContact OD1-CA 3.39Å; S52-G56 WeakPolarHBondContact O-CA 3.29Å; S52-G56 PolarHBondContact O-N 3.03Å; G56-L58 PolarHBondContact O-N 2.95Å; G56-L58 VanDerWaalsContact O-N 3.11Å; G56-A59 VanDerWaalsContact O-CB 3.25Å; G56-A59 WeakPolarHBondContact O-CB 3.41Å; G56-A59 PolarHBondContact O-N 3.44Å; G56-W60 PolarHBondContact O-NE1 3.44Å
57R77.9Confident80.7Confident3 Ų362 Ų621%0.01134%0.341CS..G310 helixtrans-49.7-41.3-175.4-178.7168.6167.3103.2-22.9114D49 Y50 A59 W60 S61 P177 D180 D182D49-R57 PolarHBondContact O-N 3.17Å; Y50-R57 PolarHBondContact O-N 2.92Å; R57-A59 PolarHBondContact O-N 3.28Å; R57-A59 VanDerWaalsContact O-N 3.15Å; R57-W60 HydrophobicContact CB-CH2 4.39Å; R57-W60 HydrophobicContact CB-CZ2 4Å; R57-W60 HydrophobicContact CG-CH2 4.06Å; R57-W60 HydrophobicContact CG-CZ2 4.17Å; R57-W60 HydrophobicContact CG-CZ3 4.46Å; R57-W60 PolarHBondContact O-N 2.82Å; R57-S61 PolarHBondContact O-N 2.52Å; R57-P177 HydrophobicContact CB-CG 4.48Å; R57-D180 IonicContact NH2-OD2 3.02Å; R57-D180 PolarHBondContact NH2-OD2 3.05Å; R57-D182 IonicContact CZ-OD1 3.03Å; R57-D182 IonicContact NH1-OD1 2.77Å; R57-D182 PolarHBondContact NH1-OD1 2.87Å
58L78.5Confident80.9Confident103 Ų10364.7 Ų64.754%0.53935%0.351SS..G310 helixtrans-68.2-10.8-179.9-62.6-178.1000114Y50 R51 G56Y50-L58 WeakPolarHBondContact O-CB 3.39Å; Y50-L58 VanDerWaalsContact O-CG 3.25Å; Y50-L58 WeakPolarHBondContact O-CG 3.38Å; Y50-L58 PolarHBondContact O-N 2.78Å; R51-L58 HydrophobicContact CG-CD1 4.06Å; G56-L58 PolarHBondContact O-N 2.95Å; G56-L58 VanDerWaalsContact O-N 3.11Å
59A78.1Confident81.2Confident61 Ų6166.6 Ų66.650%0.50437%0.37SS..G310 helixtrans-83.9-20.5175.200000113G56 R57G56-A59 VanDerWaalsContact O-CB 3.25Å; G56-A59 WeakPolarHBondContact O-CB 3.41Å; G56-A59 PolarHBondContact O-N 3.44Å; R57-A59 PolarHBondContact O-N 3.28Å; R57-A59 VanDerWaalsContact O-N 3.15Å
60W74Confident81.4Confident98 Ų9870.6 Ų70.637%0.37139%0.388SS..THydrogen-bonded Turntrans-134.5-8.6-171.653.2-102.9000115.4P48 T55 G56 R57 A174P48-W60 HydrophobicContact CG-CZ2 4.22Å; T55-W60 PolarHBondContact O-NE1 3.4Å; G56-W60 PolarHBondContact O-NE1 3.44Å; R57-W60 HydrophobicContact CB-CH2 4.39Å; R57-W60 HydrophobicContact CB-CZ2 4Å; R57-W60 HydrophobicContact CG-CH2 4.06Å; R57-W60 HydrophobicContact CG-CZ2 4.17Å; R57-W60 HydrophobicContact CG-CZ3 4.46Å; R57-W60 PolarHBondContact O-N 2.82Å; W60-A174 HydrophobicContact CE3-CB 4.46Å; W60-A174 HydrophobicContact CH2-CB 3.83Å; W60-A174 HydrophobicContact CZ3-CB 3.81Å
61S72.4Confident82Confident14 Ų1468 Ų6810%0.09838%0.378CS..  trans-130.3137.3173.7-175.50000111.6R57 L63 D182R57-S61 PolarHBondContact O-N 2.52Å; S61-L63 VanDerWaalsContact C-N 3.33Å; S61-L63 WeakPolarHBondContact OG-CB 3.37Å; S61-L63 PolarHBondContact OG-N 3.17Å; S61-L63 VanDerWaalsContact OG-N 3.16Å; S61-D182 WeakPolarHBondContact CB-OD2 3.33Å; S61-D182 PolarHBondContact OG-OD2 3.48Å
62S69Low82.5Confident115 Ų11566.2 Ų66.280%0.80438%0.376SS*.  trans-88.3-2171.160.70000112.8L64S62-L64 PolarHBondContact O-N 3.48Å
63L70.6Confident83.1Confident50 Ų5069.7 Ų69.726%0.26240%0.4SS..  trans-73.2115.3-178.9-64.3-175000110.5S61 D182S61-L63 VanDerWaalsContact C-N 3.33Å; S61-L63 WeakPolarHBondContact OG-CB 3.37Å; S61-L63 PolarHBondContact OG-N 3.17Å; S61-L63 VanDerWaalsContact OG-N 3.16Å; L63-D182 HydrophobicContact CD1-CB 3.96Å; L63-D182 VanDerWaalsContact CD1-OD1 3.23Å; L63-D182 WeakPolarHBondContact CD1-OD1 3.45Å
64L72Confident83.8Confident138 Ų13861.1 Ų61.172%0.72337%0.367SS*.PPolyproline II helixtrans-71.5148.1174.1-63.2178.1000110.4S62S62-L64 PolarHBondContact O-N 3.48Å
65P79.1Confident84.5Confident24 Ų2460.9 Ų60.916%0.15636%0.356CS..PPolyproline II helixtrans-57.3142.7169.2-24.134.7000111.8Q67 F210P65-Q67 PolarHBondContact O-N 3.29Å; P65-Q67 PolarHBondContact O-NE2 3.37Å; P65-F210 HydrophobicContact CB-CD2 3.24Å; P65-F210 HydrophobicContact CB-CE2 3.26Å; P65-F210 HydrophobicContact CB-CG 4.15Å; P65-F210 HydrophobicContact CB-CZ 4.17Å; P65-F210 HydrophobicContact CG-CD2 3.97Å; P65-F210 HydrophobicContact CG-CE2 3.52Å; P65-F210 HydrophobicContact CG-CZ 3.97Å
66V87Confident85.1Confident24 Ų2459.7 Ų59.715%0.14535%0.351CS..PPolyproline II helixtrans-59.5130.3178.5176.60000110.4F71 V77 H81 F209V66-F71 HydrophobicContact CG1-CB 3.96Å; V66-F71 HydrophobicContact CG1-CD2 4.29Å; V66-V77 HydrophobicContact CG1-CG1 4Å; V66-H81 HydrophobicContact CG2-CB 4.49Å; V66-F209 HydrophobicContact CB-CD2 4.42Å; V66-F209 HydrophobicContact CB-CE2 4.41Å; V66-F209 HydrophobicContact CG1-CD2 3.96Å; V66-F209 HydrophobicContact CG1-CE2 3.94Å
67Q91.7Very high85.8Confident69 Ų6961.3 Ų61.332%0.32236%0.361SS..BIsolated β-bridgetrans-83.3141.4171.3-57.1-58.2-54.400110.5P65 A69 E70 F71 F210P65-Q67 PolarHBondContact O-N 3.29Å; P65-Q67 PolarHBondContact O-NE2 3.37Å; Q67-A69 VanDerWaalsContact C-N 3.33Å; Q67-A69 PolarHBondContact O-N 3.3Å; Q67-E70 HydrophobicContact CB-CB 4.29Å; Q67-E70 HydrophobicContact CB-CG 3.98Å; Q67-E70 PolarHBondContact O-N 3.47Å; Q67-F71 PolarHBondContact O-N 3.44Å; Q67-F210 CarbonylContact C-O 3.54Å; Q67-F210 WeakPolarHBondContact CA-O 3.09Å; Q67-F210 VanDerWaalsContact NE2-CB 3.34Å; Q67-F210 PolarHBondContact OE1-O 2.92Å
68Y96Very high86.6Confident59 Ų5961.9 Ų61.923%0.23136%0.363CS..Hα-helixtrans-58.2-44.4-179.5-176.8-119.9000112.5E70 F71 L72 K204 F209 F210 E212Y68-E70 VanDerWaalsContact C-N 3.32Å; Y68-E70 PolarHBondContact O-N 3.4Å; Y68-F71 WeakPolarHBondContact O-CB 3.17Å; Y68-F71 PolarHBondContact O-N 3.28Å; Y68-L72 HydrophobicContact CD1-CD1 4.13Å; Y68-L72 HydrophobicContact CD2-CG 4.49Å; Y68-L72 HydrophobicContact CE1-CD1 3.56Å; Y68-L72 HydrophobicContact CE1-CG 4.25Å; Y68-L72 HydrophobicContact CE2-CD1 4.27Å; Y68-L72 HydrophobicContact CE2-CD2 4.06Å; Y68-L72 HydrophobicContact CE2-CG 4.12Å; Y68-L72 WeakPolarHBondContact O-CG 3.43Å; Y68-L72 PolarHBondContact O-N 3.43Å; Y68-K204 HydrophobicContact CD2-CD 4.23Å; Y68-K204 HydrophobicContact CE2-CD 4.12Å; Y68-F209 HydrophobicContact CD2-CB 4.45Å; Y68-F210 PolarHBondContact N-O 3.07Å; Y68-E212 HydrophobicContact CD1-CB 4.12Å; Y68-E212 HydrophobicContact CD1-CG 4.08Å; Y68-E212 HydrophobicContact CD2-CB 4.15Å; Y68-E212 HydrophobicContact CD2-CG 4.01Å; Y68-E212 HydrophobicContact CE1-CG 4.24Å; Y68-E212 HydrophobicContact CE2-CG 4.2Å; Y68-E212 HydrophobicContact CG-CB 3.78Å; Y68-E212 HydrophobicContact CG-CG 3.96Å
69A96.7Very high87.4Confident69 Ų6960.1 Ų60.157%0.5735%0.349SS*.Hα-helixtrans-61.9-37.4178.300000112.9Q67 L72 S73Q67-A69 VanDerWaalsContact C-N 3.33Å; Q67-A69 PolarHBondContact O-N 3.3Å; A69-L72 PolarHBondContact O-N 3.02Å; A69-S73 WeakPolarHBondContact O-CB 3.48Å; A69-S73 PolarHBondContact O-N 2.89Å; A69-S73 PolarHBondContact O-OG 2.99Å
70E95Very high88Confident99 Ų9959.2 Ų59.246%0.46334%0.336SS..Hα-helixtrans-69.3-41.6176.1-66.4174.1166.400111.1Q67 Y68 L72 S73 S74 V77Q67-E70 HydrophobicContact CB-CB 4.29Å; Q67-E70 HydrophobicContact CB-CG 3.98Å; Q67-E70 PolarHBondContact O-N 3.47Å; Y68-E70 VanDerWaalsContact C-N 3.32Å; Y68-E70 PolarHBondContact O-N 3.4Å; E70-L72 VanDerWaalsContact C-N 3.31Å; E70-L72 PolarHBondContact O-N 2.83Å; E70-S73 PolarHBondContact O-N 3Å; E70-S73 PolarHBondContact O-OG 2.88Å; E70-S74 WeakPolarHBondContact O-CB 3.45Å; E70-S74 PolarHBondContact O-N 3.21Å; E70-V77 HydrophobicContact CB-CG1 4.32Å
71F96Very high88.9Confident0 Ų055.4 Ų55.40%032%0.322CS..Hα-helixtrans-60.1-42175.1-172.9-93.1000111.7V66 Q67 Y68 R78 H81 W82 I202 V203 K204 F209V66-F71 HydrophobicContact CG1-CB 3.96Å; V66-F71 HydrophobicContact CG1-CD2 4.29Å; Q67-F71 PolarHBondContact O-N 3.44Å; Y68-F71 WeakPolarHBondContact O-CB 3.17Å; Y68-F71 PolarHBondContact O-N 3.28Å; F71-R78 HydrophobicContact CD1-CG 4.09Å; F71-R78 HydrophobicContact CD2-CB 4.4Å; F71-R78 HydrophobicContact CD2-CG 3.7Å; F71-R78 HydrophobicContact CE1-CG 4.04Å; F71-R78 HydrophobicContact CE2-CB 4.09Å; F71-R78 HydrophobicContact CE2-CG 3.68Å; F71-R78 HydrophobicContact CG-CG 3.93Å; F71-R78 HydrophobicContact CZ-CB 4.41Å; F71-R78 HydrophobicContact CZ-CG 3.85Å; F71-R78 WeakPolarHBondContact O-CD 3.44Å; F71-R78 WeakPolarHBondContact O-CG 3.37Å; F71-R78 PolarHBondContact O-NH1 2.88Å; F71-H81 HydrophobicContact CD2-CB 4.45Å; F71-H81 HydrophobicContact CE2-CB 4.25Å; F71-H81 AromaticContact CE2-CD2 3.73Å; F71-W82 AromaticContact CZ-NE1 3.92Å; F71-I202 HydrophobicContact CD1-CG2 4.49Å; F71-I202 HydrophobicContact CE1-CG2 3.73Å; F71-I202 HydrophobicContact CZ-CG2 4.47Å; F71-V203 WeakPolarHBondContact CZ-O 3.37Å; F71-K204 HydrophobicContact CD1-CD 4.17Å; F71-K204 HydrophobicContact CD1-CG 4.26Å; F71-K204 HydrophobicContact CE1-CB 3.81Å; F71-K204 HydrophobicContact CE1-CD 4.1Å; F71-K204 HydrophobicContact CE1-CG 3.71Å; F71-K204 HydrophobicContact CZ-CB 4.11Å; F71-K204 HydrophobicContact CZ-CG 3.94Å; F71-F209 HydrophobicContact CB-CD2 4.09Å; F71-F209 HydrophobicContact CB-CE2 4.05Å; F71-F209 HydrophobicContact CD1-CE2 4.27Å; F71-F209 HydrophobicContact CD2-CD2 4.43Å; F71-F209 AromaticContact CD2-CE2 3.55Å; F71-F209 HydrophobicContact CD2-CE2 3.55Å; F71-F209 HydrophobicContact CD2-CZ 4.41Å; F71-F209 AromaticContact CE2-CE2 4Å; F71-F209 HydrophobicContact CE2-CE2 4Å; F71-F209 HydrophobicContact CE2-CZ 4.47Å; F71-F209 HydrophobicContact CG-CD2 4.19Å; F71-F209 AromaticContact CG-CE2 3.69Å; F71-F209 HydrophobicContact CG-CE2 3.69Å
72L97.2Very high89.9Confident69 Ų6954.8 Ų54.836%0.36132%0.317SS..Hα-helixtrans-68-43177.5-67.1-174.8000112.7Y68 A69 E70 R78 L146Y68-L72 HydrophobicContact CD1-CD1 4.13Å; Y68-L72 HydrophobicContact CD2-CG 4.49Å; Y68-L72 HydrophobicContact CE1-CD1 3.56Å; Y68-L72 HydrophobicContact CE1-CG 4.25Å; Y68-L72 HydrophobicContact CE2-CD1 4.27Å; Y68-L72 HydrophobicContact CE2-CD2 4.06Å; Y68-L72 HydrophobicContact CE2-CG 4.12Å; Y68-L72 WeakPolarHBondContact O-CG 3.43Å; Y68-L72 PolarHBondContact O-N 3.43Å; A69-L72 PolarHBondContact O-N 3.02Å; E70-L72 VanDerWaalsContact C-N 3.31Å; E70-L72 PolarHBondContact O-N 2.83Å; L72-R78 PolarHBondContact O-NH1 3.45Å; L72-L146 HydrophobicContact CD2-CD1 3.48Å; L72-L146 VanDerWaalsContact CD2-CD1 3.48Å
73S96.7Very high91.1Very high100 Ų10049.3 Ų49.370%0.69928%0.279SS*.Hα-helixtrans-82.9-27-171.357.70000114.2A69 E70A69-S73 WeakPolarHBondContact O-CB 3.48Å; A69-S73 PolarHBondContact O-N 2.89Å; A69-S73 PolarHBondContact O-OG 2.99Å; E70-S73 PolarHBondContact O-N 3Å; E70-S73 PolarHBondContact O-OG 2.88Å
74S95.8Very high92.1Very high31 Ų3148.1 Ų48.122%0.21727%0.271CS..  trans-118.6120.2-170177.40000114.3E70 S76 V77 R78E70-S74 WeakPolarHBondContact O-CB 3.45Å; E70-S74 PolarHBondContact O-N 3.21Å; S74-S76 VanDerWaalsContact C-N 3.35Å; S74-S76 PolarHBondContact OG-N 3.28Å; S74-S76 PolarHBondContact OG-OG 3.04Å; S74-V77 PolarHBondContact O-N 3.28Å; S74-V77 WeakPolarHBondContact OG-CG2 3.44Å; S74-V77 PolarHBondContact OG-N 3.02Å; S74-R78 WeakPolarHBondContact O-CG 3.37Å; S74-R78 PolarHBondContact O-N 2.8Å; S74-R78 VanDerWaalsContact O-N 3.12Å; S74-R78 PolarHBondContact O-NH1 3.09Å
75S94.4Very high93Very high58 Ų5842.3 Ų42.341%0.40624%0.242SC..Hα-helixtrans-67.7-31.7173.563.40000113.1R78 R79S75-R78 VanDerWaalsContact CA-NH2 3.29Å; S75-R79 VanDerWaalsContact O-CB 3.22Å; S75-R79 WeakPolarHBondContact O-CB 3.49Å; S75-R79 PolarHBondContact O-N 3.16Å
76S92.5Very high93.7Very high69 Ų6942.7 Ų42.748%0.48324%0.241SC..Hα-helixtrans-67.6-40.7175.157.10000111.2S74 R79 L80S74-S76 VanDerWaalsContact C-N 3.35Å; S74-S76 PolarHBondContact OG-N 3.28Å; S74-S76 PolarHBondContact OG-OG 3.04Å; S76-R79 PolarHBondContact O-N 2.97Å; S76-L80 WeakPolarHBondContact O-CB 3.36Å; S76-L80 PolarHBondContact O-N 3.05Å
77V92.2Very high93.9Very high35 Ų3542.8 Ų42.821%0.21224%0.242CC..Hα-helixtrans-63.1-46.4175.31730000111.1V66 E70 S74 R79 L80 H81V66-V77 HydrophobicContact CG1-CG1 4Å; E70-V77 HydrophobicContact CB-CG1 4.32Å; S74-V77 PolarHBondContact O-N 3.28Å; S74-V77 WeakPolarHBondContact OG-CG2 3.44Å; S74-V77 PolarHBondContact OG-N 3.02Å; V77-R79 VanDerWaalsContact C-N 3.35Å; V77-R79 PolarHBondContact O-N 3.44Å; V77-L80 PolarHBondContact O-N 3.28Å; V77-H81 WeakPolarHBondContact O-CB 3.31Å; V77-H81 PolarHBondContact O-N 3.35Å
78R95Very high93.8Very high15 Ų1539.7 Ų39.76%0.05723%0.227CC..Hα-helixtrans-61.3-43.6176.5-67.3-167.4-62.5-81.2-4112.4F71 L72 S74 S75 H81 W82 E193F71-R78 HydrophobicContact CD1-CG 4.09Å; F71-R78 HydrophobicContact CD2-CB 4.4Å; F71-R78 HydrophobicContact CD2-CG 3.7Å; F71-R78 HydrophobicContact CE1-CG 4.04Å; F71-R78 HydrophobicContact CE2-CB 4.09Å; F71-R78 HydrophobicContact CE2-CG 3.68Å; F71-R78 HydrophobicContact CG-CG 3.93Å; F71-R78 HydrophobicContact CZ-CB 4.41Å; F71-R78 HydrophobicContact CZ-CG 3.85Å; F71-R78 WeakPolarHBondContact O-CD 3.44Å; F71-R78 WeakPolarHBondContact O-CG 3.37Å; F71-R78 PolarHBondContact O-NH1 2.88Å; L72-R78 PolarHBondContact O-NH1 3.45Å; S74-R78 WeakPolarHBondContact O-CG 3.37Å; S74-R78 PolarHBondContact O-N 2.8Å; S74-R78 VanDerWaalsContact O-N 3.12Å; S74-R78 PolarHBondContact O-NH1 3.09Å; S75-R78 VanDerWaalsContact CA-NH2 3.29Å; R78-H81 PolarHBondContact O-N 3.33Å; R78-W82 WeakPolarHBondContact O-CB 3.49Å; R78-W82 VanDerWaalsContact O-CD1 3.24Å; R78-W82 PolarHBondContact O-N 3.43Å; R78-E193 HydrophobicContact CB-CG 4.11Å; R78-E193 VanDerWaalsContact CD-OE1 3.31Å; R78-E193 WeakPolarHBondContact CD-OE1 3.49Å; R78-E193 IonicContact CZ-OE1 2.75Å; R78-E193 IonicContact CZ-OE2 3.71Å; R78-E193 IonicContact NE-OE1 3.71Å; R78-E193 PolarHBondContact NE-OE1 2.91Å; R78-E193 IonicContact NE-OE2 3.37Å; R78-E193 PolarHBondContact NE-OE2 3.4Å; R78-E193 IonicContact NH2-OE1 2.79Å; R78-E193 IonicContact NH2-OE2 2.75Å
79R94.1Very high93.7Very high66 Ų6637.2 Ų37.225%0.24922%0.217CC..Hα-helixtrans-61.3-47.5178.3-171.2-171.9-49.7-95.12.2111.3S75 S76 V77 W82 A83 E188 F191S75-R79 VanDerWaalsContact O-CB 3.22Å; S75-R79 WeakPolarHBondContact O-CB 3.49Å; S75-R79 PolarHBondContact O-N 3.16Å; S76-R79 PolarHBondContact O-N 2.97Å; V77-R79 VanDerWaalsContact C-N 3.35Å; V77-R79 PolarHBondContact O-N 3.44Å; R79-W82 PolarHBondContact O-N 3.36Å; R79-A83 VanDerWaalsContact O-CB 3.25Å; R79-A83 WeakPolarHBondContact O-CB 2.99Å; R79-A83 PolarHBondContact O-N 3.46Å; R79-E188 WeakPolarHBondContact CD-O 3.43Å; R79-E188 WeakPolarHBondContact CG-O 3.16Å; R79-F191 WeakPolarHBondContact CD-O 3.45Å; R79-F191 HydrophobicContact CG-CB 4.2Å; R79-F191 HydrophobicContact CG-CD1 4.31Å; R79-F191 WeakPolarHBondContact CG-O 3.27Å; R79-F191 PolarHBondContact NH1-O 3.46Å
80L91Very high93.5Very high42 Ų4236.3 Ų36.322%0.2221%0.206CC..Hα-helixtrans-60.2-48.5176.7-177.756000111.6S76 V77 W82 A83 R84 E188S76-L80 WeakPolarHBondContact O-CB 3.36Å; S76-L80 PolarHBondContact O-N 3.05Å; V77-L80 PolarHBondContact O-N 3.28Å; L80-W82 PolarHBondContact O-N 3.28Å; L80-A83 PolarHBondContact O-N 3.08Å; L80-R84 HydrophobicContact CD1-CG 4.31Å; L80-R84 VanDerWaalsContact O-CG 3.24Å; L80-R84 WeakPolarHBondContact O-CG 3.41Å; L80-R84 PolarHBondContact O-N 3.3Å; L80-E188 HydrophobicContact CB-CB 4.49Å; L80-E188 HydrophobicContact CB-CG 3.9Å; L80-E188 HydrophobicContact CD1-CB 3.97Å; L80-E188 HydrophobicContact CD1-CG 3.75Å; L80-E188 HydrophobicContact CG-CG 4.4Å
81H92.5Very high93.3Very high18 Ų1836 Ų368%0.08320%0.204CC..Hα-helixtrans-58.2-49.4177.6175.778.3000112V66 F71 V77 R78 R84 S85 P205 F209V66-H81 HydrophobicContact CG2-CB 4.49Å; F71-H81 HydrophobicContact CD2-CB 4.45Å; F71-H81 HydrophobicContact CE2-CB 4.25Å; F71-H81 AromaticContact CE2-CD2 3.73Å; V77-H81 WeakPolarHBondContact O-CB 3.31Å; V77-H81 PolarHBondContact O-N 3.35Å; R78-H81 PolarHBondContact O-N 3.33Å; H81-R84 PolarHBondContact O-N 3.07Å; H81-S85 WeakPolarHBondContact O-CB 3.43Å; H81-S85 PolarHBondContact O-N 2.66Å; H81-P205 WeakPolarHBondContact NE2-CG 3.44Å; H81-F209 AromaticContact CE1-CZ 3.52Å; H81-F209 AromaticContact NE2-CZ 3.57Å
82W94.6Very high93.1Very high0 Ų036.1 Ų36.10%021%0.205CC..Hα-helixtrans-67.9-36.2179.6-79.7118.3000112.9F71 R78 R79 L80 S85 Y86 V143 F157 M161 F191 P194 V203F71-W82 AromaticContact CZ-NE1 3.92Å; R78-W82 WeakPolarHBondContact O-CB 3.49Å; R78-W82 VanDerWaalsContact O-CD1 3.24Å; R78-W82 PolarHBondContact O-N 3.43Å; R79-W82 PolarHBondContact O-N 3.36Å; L80-W82 PolarHBondContact O-N 3.28Å; W82-S85 PolarHBondContact O-N 3.03Å; W82-Y86 WeakPolarHBondContact O-CB 3.4Å; W82-Y86 PolarHBondContact O-N 2.96Å; W82-V143 HydrophobicContact CH2-CB 4.4Å; W82-V143 HydrophobicContact CH2-CG1 3.74Å; W82-V143 HydrophobicContact CH2-CG2 3.77Å; W82-V143 HydrophobicContact CZ2-CG1 4.1Å; W82-V143 HydrophobicContact CZ3-CG2 4.32Å; W82-F157 HydrophobicContact CE3-CE1 4.43Å; W82-F157 HydrophobicContact CH2-CD1 4.16Å; W82-F157 AromaticContact CH2-CE1 3.78Å; W82-F157 HydrophobicContact CH2-CE1 3.78Å; W82-F157 HydrophobicContact CZ2-CE1 4.18Å; W82-F157 HydrophobicContact CZ3-CD1 4.08Å; W82-F157 AromaticContact CZ3-CE1 3.92Å; W82-F157 HydrophobicContact CZ3-CE1 3.92Å; W82-M161 HydrophobicContact CD2-SD 4.3Å; W82-M161 HydrophobicContact CE3-CE 4.16Å; W82-M161 HydrophobicContact CE3-SD 3.6Å; W82-M161 VanDerWaalsContact CE3-SD 3.6Å; W82-M161 HydrophobicContact CZ3-CE 4.23Å; W82-M161 HydrophobicContact CZ3-SD 4.13Å; W82-F191 HydrophobicContact CB-CE1 3.74Å; W82-F191 HydrophobicContact CB-CZ 4.46Å; W82-P194 HydrophobicContact CB-CG 4.25Å; W82-P194 HydrophobicContact CD2-CG 3.7Å; W82-P194 HydrophobicContact CE3-CG 4.27Å; W82-P194 HydrophobicContact CG-CG 3.68Å; W82-V203 HydrophobicContact CZ2-CB 4.48Å; W82-V203 HydrophobicContact CZ2-CG2 3.93Å; W82-V203 PolarHBondContact NE1-O 2.55Å
83A93.2Very high93Very high0 Ų033.9 Ų33.90%020%0.195CC..Hα-helixtrans-61.2-45.7173.900000111.2R79 L80 Y86 V87 W168 L183 E188 F191R79-A83 VanDerWaalsContact O-CB 3.25Å; R79-A83 WeakPolarHBondContact O-CB 2.99Å; R79-A83 PolarHBondContact O-N 3.46Å; L80-A83 PolarHBondContact O-N 3.08Å; A83-Y86 PolarHBondContact O-N 3.47Å; A83-V87 WeakPolarHBondContact O-CG2 3.46Å; A83-V87 PolarHBondContact O-N 2.81Å; A83-V87 VanDerWaalsContact O-N 3.16Å; A83-W168 HydrophobicContact CB-CH2 3.86Å; A83-W168 HydrophobicContact CB-CZ2 3.84Å; A83-L183 HydrophobicContact CB-CD1 4.04Å; A83-E188 HydrophobicContact CB-CB 3.74Å; A83-F191 HydrophobicContact CB-CB 3.99Å; A83-F191 HydrophobicContact CB-CD1 3.97Å; A83-F191 HydrophobicContact CB-CD2 4.06Å; A83-F191 HydrophobicContact CB-CE1 4.47Å; A83-F191 HydrophobicContact CB-CG 3.74Å
84R91.5Very high92.9Very high25 Ų2536.9 Ų36.99%0.09419%0.191CC..Hα-helixtrans-61.7-52.6175.8-69.4171.8175.6-171.62.5111.6L80 H81 Y86 V87 S88 D180 V181 L183L80-R84 HydrophobicContact CD1-CG 4.31Å; L80-R84 VanDerWaalsContact O-CG 3.24Å; L80-R84 WeakPolarHBondContact O-CG 3.41Å; L80-R84 PolarHBondContact O-N 3.3Å; H81-R84 PolarHBondContact O-N 3.07Å; R84-Y86 PolarHBondContact O-N 3.23Å; R84-V87 PolarHBondContact O-N 2.83Å; R84-V87 VanDerWaalsContact O-N 3.12Å; R84-S88 WeakPolarHBondContact O-CB 3.4Å; R84-S88 PolarHBondContact O-N 2.85Å; R84-S88 PolarHBondContact O-OG 3.04Å; R84-D180 WeakPolarHBondContact CB-OD1 2.95Å; R84-D180 WeakPolarHBondContact CD-OD1 3.42Å; R84-D180 IonicContact NH1-OD2 3.36Å; R84-D180 PolarHBondContact NH1-OD2 2.83Å; R84-V181 HydrophobicContact CB-CG2 3.75Å; R84-V181 WeakPolarHBondContact CD-O 3.25Å; R84-V181 HydrophobicContact CG-CG2 4.2Å; R84-V181 WeakPolarHBondContact CG-O 3.28Å; R84-V181 PolarHBondContact NE-O 2.77Å; R84-V181 WeakPolarHBondContact O-CG2 3.4Å; R84-L183 HydrophobicContact CB-CD1 4.46Å; R84-L183 HydrophobicContact CG-CD1 3.72Å; R84-L183 HydrophobicContact CG-CG 3.82Å
85S92Very high92.9Very high17 Ų1736 Ų3612%0.11918%0.184CC..Hα-helixtrans-57.8-36.6176.7-178.30000112.4H81 W82 S88 W89 R154H81-S85 WeakPolarHBondContact O-CB 3.43Å; H81-S85 PolarHBondContact O-N 2.66Å; W82-S85 PolarHBondContact O-N 3.03Å; S85-S88 WeakPolarHBondContact CA-OG 3.36Å; S85-S88 PolarHBondContact O-OG 2.82Å; S85-W89 VanDerWaalsContact O-CB 3.25Å; S85-W89 WeakPolarHBondContact O-CB 3.25Å; S85-W89 PolarHBondContact O-N 3.26Å; S85-R154 PolarHBondContact O-NH2 2.79Å; S85-R154 PolarHBondContact OG-NH2 3.18Å; S85-R154 VanDerWaalsContact OG-NH2 3.08Å
86Y93.2Very high93.1Very high31 Ų3139.1 Ų39.112%0.12219%0.193CC..Hα-helixtrans-64.1-41.9177.8174.6-94.4000112W82 A83 R84 Q158 M161 K162 W168 F191W82-Y86 WeakPolarHBondContact O-CB 3.4Å; W82-Y86 PolarHBondContact O-N 2.96Å; A83-Y86 PolarHBondContact O-N 3.47Å; R84-Y86 PolarHBondContact O-N 3.23Å; Y86-Q158 PolarHBondContact O-NE2 3.12Å; Y86-M161 HydrophobicContact CD2-CB 3.72Å; Y86-M161 HydrophobicContact CD2-CE 4.25Å; Y86-M161 HydrophobicContact CD2-SD 4.49Å; Y86-M161 HydrophobicContact CE2-CB 4.07Å; Y86-K162 HydrophobicContact CE2-CB 4.12Å; Y86-W168 AromaticContact CD1-CE3 3.81Å; Y86-W168 HydrophobicContact CD1-CE3 3.81Å; Y86-W168 AromaticContact CD1-CZ3 3.65Å; Y86-W168 HydrophobicContact CD1-CZ3 3.65Å; Y86-W168 AromaticContact CE1-CE3 3.86Å; Y86-W168 HydrophobicContact CE1-CE3 3.86Å; Y86-W168 HydrophobicContact CE1-CZ3 4.1Å; Y86-F191 AromaticContact CD1-CE2 3.98Å; Y86-F191 HydrophobicContact CD1-CE2 3.98Å; Y86-F191 HydrophobicContact CD2-CE2 4.35Å; Y86-F191 HydrophobicContact CD2-CZ 4.5Å; Y86-F191 AromaticContact CG-CE2 3.81Å; Y86-F191 HydrophobicContact CG-CE2 3.81Å; Y86-F191 HydrophobicContact CG-CZ 4.15Å
87V91.3Very high93.4Very high27 Ų2737.2 Ų37.216%0.16418%0.179CC..Hα-helixtrans-71.6-40.8178.61790000111.6A83 R84 P90 W168 A170 A172 V181 L183A83-V87 WeakPolarHBondContact O-CG2 3.46Å; A83-V87 PolarHBondContact O-N 2.81Å; A83-V87 VanDerWaalsContact O-N 3.16Å; R84-V87 PolarHBondContact O-N 2.83Å; R84-V87 VanDerWaalsContact O-N 3.12Å; V87-P90 WeakPolarHBondContact O-CD 3.24Å; V87-W168 HydrophobicContact CG2-CH2 3.58Å; V87-W168 HydrophobicContact CG2-CZ3 3.41Å; V87-W168 VanDerWaalsContact CG2-CZ3 3.41Å; V87-A170 WeakPolarHBondContact CG1-O 3.19Å; V87-A170 HydrophobicContact CG2-CB 3.8Å; V87-A172 HydrophobicContact CG1-CB 3.58Å; V87-V181 HydrophobicContact CB-CG2 4.35Å; V87-L183 HydrophobicContact CB-CD2 4.33Å; V87-L183 HydrophobicContact CG1-CD2 4.35Å; V87-L183 HydrophobicContact CG2-CD2 3.99Å
88S89.9Confident93.7Very high3 Ų336.3 Ų36.32%0.02117%0.173CC..Hα-helixtrans-76.3-31-173.871.80000113.5R84 S85 H91 F92 G179R84-S88 WeakPolarHBondContact O-CB 3.4Å; R84-S88 PolarHBondContact O-N 2.85Å; R84-S88 PolarHBondContact O-OG 3.04Å; S85-S88 WeakPolarHBondContact CA-OG 3.36Å; S85-S88 PolarHBondContact O-OG 2.82Å; S88-H91 PolarHBondContact O-N 2.87Å; S88-H91 VanDerWaalsContact O-N 3.07Å; S88-F92 PolarHBondContact O-N 3.41Å; S88-G179 WeakPolarHBondContact CB-O 3.44Å; S88-G179 PolarHBondContact OG-O 2.74Å
89W93.1Very high93.8Very high7 Ų740.8 Ų40.83%0.02719%0.19CC..Hα-helixtrans-50.5-48.7-169.9176.7-105.3000114.4S85 H91 F92 S93 A140 Y141 R154 E155S85-W89 VanDerWaalsContact O-CB 3.25Å; S85-W89 WeakPolarHBondContact O-CB 3.25Å; S85-W89 PolarHBondContact O-N 3.26Å; W89-H91 PolarHBondContact O-N 3.41Å; W89-F92 HydrophobicContact CE3-CD1 4.29Å; W89-F92 HydrophobicContact CZ3-CD1 4.09Å; W89-F92 PolarHBondContact O-N 3.23Å; W89-S93 WeakPolarHBondContact O-CB 3.26Å; W89-S93 PolarHBondContact O-N 3.28Å; W89-S93 PolarHBondContact O-OG 2.77Å; W89-S93 VanDerWaalsContact O-OG 3.09Å; W89-A140 HydrophobicContact CZ3-CB 4.47Å; W89-Y141 AromaticContact CH2-CD1 3.64Å; W89-Y141 HydrophobicContact CH2-CD1 3.64Å; W89-Y141 HydrophobicContact CH2-CD2 4.31Å; W89-Y141 AromaticContact CH2-CE1 3.77Å; W89-Y141 HydrophobicContact CH2-CE1 3.77Å; W89-Y141 HydrophobicContact CH2-CE2 4.39Å; W89-Y141 AromaticContact CH2-CG 3.92Å; W89-Y141 HydrophobicContact CH2-CG 3.92Å; W89-Y141 HydrophobicContact CZ2-CD1 4.41Å; W89-Y141 HydrophobicContact CZ2-CE1 4.49Å; W89-Y141 HydrophobicContact CZ3-CE2 4.46Å; W89-R154 HydrophobicContact CD2-CG 3.65Å; W89-R154 HydrophobicContact CE3-CG 3.51Å; W89-R154 HydrophobicContact CH2-CB 3.63Å; W89-R154 HydrophobicContact CH2-CG 3.45Å; W89-R154 VanDerWaalsContact CH2-CG 3.45Å; W89-R154 HydrophobicContact CZ2-CB 3.79Å; W89-R154 HydrophobicContact CZ2-CG 3.6Å; W89-R154 HydrophobicContact CZ3-CB 4.06Å; W89-R154 HydrophobicContact CZ3-CG 3.41Å; W89-R154 VanDerWaalsContact CZ3-CG 3.41Å; W89-E155 PolarHBondContact NE1-OE2 3.21Å
90P91.9Very high94Very high50 Ų5037.7 Ų37.733%0.32518%0.178SC..Hα-helixtrans-60.2-32.3-177.2-24.535.6000113.8V87 R94V87-P90 WeakPolarHBondContact O-CD 3.24Å; P90-R94 VanDerWaalsContact O-CG 3.28Å; P90-R94 WeakPolarHBondContact O-CG 3.38Å; P90-R94 PolarHBondContact O-NE 3.08Å; P90-R94 PolarHBondContact O-NH1 3.17Å; P90-R94 PolarHBondContact O-NH2 2.86Å
91H90.7Very high94.4Very high93 Ų9335.7 Ų35.743%0.43117%0.167SC..Hα-helixtrans-79.5-49.3174.9-177109.1000110.7S88 W89 S93 R94 C95 I175S88-H91 PolarHBondContact O-N 2.87Å; S88-H91 VanDerWaalsContact O-N 3.07Å; W89-H91 PolarHBondContact O-N 3.41Å; H91-S93 VanDerWaalsContact C-N 3.31Å; H91-S93 PolarHBondContact O-N 3.01Å; H91-R94 PolarHBondContact O-N 3.15Å; H91-R94 VanDerWaalsContact O-N 3.09Å; H91-C95 PolarHBondContact O-N 3.11Å; H91-I175 HydrophobicContact CB-CD1 3.47Å; H91-I175 VanDerWaalsContact CB-CD1 3.47Å; H91-I175 WeakPolarHBondContact CD2-CD1 3.22Å
92F92.2Very high94.7Very high2 Ų237.5 Ų37.51%0.00918%0.18CC..Hα-helixtrans-57.3-42.5-178.5-174.5-94000112.5I47 S88 W89 R94 C95 V121 D122 A140 Y141 I175 G179I47-F92 HydrophobicContact CD1-CD2 4.27Å; I47-F92 HydrophobicContact CD1-CE2 3.89Å; I47-F92 HydrophobicContact CD1-CZ 4.44Å; I47-F92 HydrophobicContact CG2-CE2 4.45Å; S88-F92 PolarHBondContact O-N 3.41Å; W89-F92 HydrophobicContact CE3-CD1 4.29Å; W89-F92 HydrophobicContact CZ3-CD1 4.09Å; W89-F92 PolarHBondContact O-N 3.23Å; F92-R94 VanDerWaalsContact C-N 3.27Å; F92-R94 PolarHBondContact O-N 2.75Å; F92-C95 WeakPolarHBondContact O-CB 3.37Å; F92-C95 PolarHBondContact O-N 3.2Å; F92-V121 HydrophobicContact CZ-CG2 4.45Å; F92-D122 HydrophobicContact CE1-CB 4.41Å; F92-D122 HydrophobicContact CE2-CB 4.32Å; F92-D122 HydrophobicContact CZ-CB 3.73Å; F92-A140 HydrophobicContact CD1-CB 4.46Å; F92-A140 HydrophobicContact CE1-CB 3.67Å; F92-A140 HydrophobicContact CZ-CB 4.24Å; F92-Y141 HydrophobicContact CD1-CE2 4.43Å; F92-Y141 AromaticContact CE1-CE2 3.87Å; F92-Y141 HydrophobicContact CE1-CE2 3.87Å; F92-I175 HydrophobicContact CD2-CG2 4.18Å; F92-G179 VanDerWaalsContact CD2-CA 3.48Å
93S94.4Very high94.9Very high23 Ų2338.4 Ų38.416%0.16119%0.185CC..THydrogen-bonded Turntrans-69-23.6179.8720000113.4W89 H91 K127W89-S93 WeakPolarHBondContact O-CB 3.26Å; W89-S93 PolarHBondContact O-N 3.28Å; W89-S93 PolarHBondContact O-OG 2.77Å; W89-S93 VanDerWaalsContact O-OG 3.09Å; H91-S93 VanDerWaalsContact C-N 3.31Å; H91-S93 PolarHBondContact O-N 3.01Å; S93-K127 PolarHBondContact O-NZ 3.06Å
94R95.3Very high95.1Very high163 Ų16338.4 Ų38.462%0.61519%0.185SC*.THydrogen-bonded Turntrans-84.2-15.8178-74.1-171.7-58.7-116.6-1.3114.1P90 H91 F92 Q96P90-R94 VanDerWaalsContact O-CG 3.28Å; P90-R94 WeakPolarHBondContact O-CG 3.38Å; P90-R94 PolarHBondContact O-NE 3.08Å; P90-R94 PolarHBondContact O-NH1 3.17Å; P90-R94 PolarHBondContact O-NH2 2.86Å; H91-R94 PolarHBondContact O-N 3.15Å; H91-R94 VanDerWaalsContact O-N 3.09Å; F92-R94 VanDerWaalsContact C-N 3.27Å; F92-R94 PolarHBondContact O-N 2.75Å; R94-Q96 PolarHBondContact O-N 3.01Å; R94-Q96 PolarHBondContact O-NE2 3.46Å
95C96.4Very high95.5Very high11 Ų1137.5 Ų37.57%0.07418%0.183CC..  trans-53.5132175.4-69.30000110.6I47 H91 F92 L124 K127I47-C95 HydrophobicContact CD1-CB 3.99Å; I47-C95 HydrophobicContact CG1-CB 4.09Å; H91-C95 PolarHBondContact O-N 3.11Å; F92-C95 WeakPolarHBondContact O-CB 3.37Å; F92-C95 PolarHBondContact O-N 3.2Å; C95-L124 HydrophobicContact CB-CD2 4.43Å; C95-K127 PolarHBondContact O-NZ 2.97Å
96Q98Very high95.8Very high124 Ų12443.2 Ų43.258%0.57921%0.206SC*.  trans-105.2150.6-177.2-65.6-56.3-42.700110.9S45 R94 N98S45-Q96 WeakPolarHBondContact CB-O 3.27Å; S45-Q96 PolarHBondContact OG-O 3.36Å; R94-Q96 PolarHBondContact O-N 3.01Å; R94-Q96 PolarHBondContact O-NE2 3.46Å; Q96-N98 PolarHBondContact O-N 3.29Å
97P98.5Very high96Very high30 Ų3044 Ų4420%0.19521%0.208CC..  trans-58.4135173.924.4-33.7000110.7H101 K127 A128P97-H101 HydrophobicContact CB-CB 3.68Å; P97-K127 HydrophobicContact CG-CB 4.21Å; P97-A128 HydrophobicContact CB-CB 3.75Å; P97-A128 HydrophobicContact CG-CB 4.1Å
98N98.6Very high96.3Very high15 Ų1542.8 Ų42.88%0.0820%0.201CC..  trans-86.9179.5170.865.355000111.4L41 D44 S45 Q96 G100 H101 T102L41-N98 PolarHBondContact O-ND2 3.33Å; D44-N98 HydrophobicContact CB-CB 3.79Å; S45-N98 WeakPolarHBondContact OG-CB 3.49Å; S45-N98 PolarHBondContact OG-N 3.24Å; S45-N98 VanDerWaalsContact OG-N 3.07Å; S45-N98 PolarHBondContact OG-ND2 2.73Å; Q96-N98 PolarHBondContact O-N 3.29Å; N98-G100 PolarHBondContact O-N 2.75Å; N98-G100 VanDerWaalsContact O-N 3.1Å; N98-G100 PolarHBondContact OD1-N 2.69Å; N98-H101 PolarHBondContact ND2-CE1 3.39Å; N98-H101 PolarHBondContact ND2-ND1 3.38Å; N98-H101 WeakPolarHBondContact O-CB 3.48Å; N98-H101 PolarHBondContact O-N 2.85Å; N98-H101 PolarHBondContact OD1-ND1 3.27Å; N98-T102 PolarHBondContact O-N 3.23Å; N98-T102 VanDerWaalsContact O-N 3.09Å; N98-T102 PolarHBondContact O-OG1 3.01Å
99R97.7Very high96.7Very high110 Ų11049.2 Ų49.242%0.41523%0.229SC..Hα-helixtrans-53.8-33.8-177.575.3-175.385.4126.3-3.2114.2T102 V103 G281 M282 S285R99-T102 PolarHBondContact O-N 2.85Å; R99-V103 WeakPolarHBondContact O-CB 3.34Å; R99-V103 VanDerWaalsContact O-CG2 3.27Å; R99-V103 WeakPolarHBondContact O-CG2 3.45Å; R99-V103 PolarHBondContact O-N 3.11Å; R99-G281 VanDerWaalsContact CD-C 3.49Å; R99-G281 WeakPolarHBondContact CD-O 3.48Å; R99-G281 VanDerWaalsContact CG-CA 3.45Å; R99-M282 VanDerWaalsContact NH1-CG 3.31Å; R99-M282 PolarHBondContact NH1-SD 2.95Å; R99-S285 VanDerWaalsContact CD-OG 3.28Å; R99-S285 WeakPolarHBondContact CD-OG 3.27Å
100G98.4Very high96.9Very high0 Ų052.4 Ų52.40%026%0.256CS..Hα-helixtrans-64.9-44.3178.800000112N98 V103 L104N98-G100 PolarHBondContact O-N 2.75Å; N98-G100 VanDerWaalsContact O-N 3.1Å; N98-G100 PolarHBondContact OD1-N 2.69Å; G100-V103 PolarHBondContact O-N 2.92Å; G100-L104 WeakPolarHBondContact O-CG 3.45Å; G100-L104 PolarHBondContact O-N 2.96Å; G100-L104 VanDerWaalsContact O-N 3.09Å
101H98.8Very high97.1Very high0 Ų055.8 Ų55.80%027%0.272CS..Hα-helixtrans-64.3-43.5174.2-59.289.9000111.4P97 N98 V103 L104 S105 L124 H125 A128P97-H101 HydrophobicContact CB-CB 3.68Å; N98-H101 PolarHBondContact ND2-CE1 3.39Å; N98-H101 PolarHBondContact ND2-ND1 3.38Å; N98-H101 WeakPolarHBondContact O-CB 3.48Å; N98-H101 PolarHBondContact O-N 2.85Å; N98-H101 PolarHBondContact OD1-ND1 3.27Å; H101-V103 PolarHBondContact O-N 3.14Å; H101-L104 PolarHBondContact O-N 2.71Å; H101-S105 WeakPolarHBondContact O-CB 3.35Å; H101-S105 PolarHBondContact O-N 3.32Å; H101-L124 WeakPolarHBondContact NE2-CB 3.28Å; H101-H125 AromaticContact CD2-CE1 3.73Å; H101-H125 AromaticContact CD2-ND1 3.78Å; H101-H125 AromaticContact CD2-NE2 3.95Å; H101-A128 HydrophobicContact CB-CB 3.83Å
102T98.6Very high97.4Very high56 Ų5653.6 Ų53.634%0.34427%0.27SS..Hα-helixtrans-62.6-40177.9-51.90000112.4N98 R99 K106N98-T102 PolarHBondContact O-N 3.23Å; N98-T102 VanDerWaalsContact O-N 3.09Å; N98-T102 PolarHBondContact O-OG1 3.01Å; R99-T102 PolarHBondContact O-N 2.85Å; T102-K106 WeakPolarHBondContact O-CG 3.41Å; T102-K106 PolarHBondContact O-N 3.48Å
103V98.5Very high97.7Very high19 Ų1953.5 Ų53.512%0.11527%0.269CS..Hα-helixtrans-66.2-44.9176.7170.10000110.8R99 G100 H101 S105 K106 W107 L284R99-V103 WeakPolarHBondContact O-CB 3.34Å; R99-V103 VanDerWaalsContact O-CG2 3.27Å; R99-V103 WeakPolarHBondContact O-CG2 3.45Å; R99-V103 PolarHBondContact O-N 3.11Å; G100-V103 PolarHBondContact O-N 2.92Å; H101-V103 PolarHBondContact O-N 3.14Å; V103-S105 VanDerWaalsContact C-N 3.33Å; V103-S105 PolarHBondContact O-N 3.25Å; V103-K106 WeakPolarHBondContact O-CB 3.37Å; V103-K106 PolarHBondContact O-N 3.48Å; V103-K106 VanDerWaalsContact O-N 3.15Å; V103-W107 HydrophobicContact CG1-CD2 4.01Å; V103-W107 HydrophobicContact CG1-CG 4.27Å; V103-W107 HydrophobicContact CG1-CZ2 3.94Å; V103-W107 PolarHBondContact O-N 3.37Å; V103-L284 HydrophobicContact CB-CB 4.17Å; V103-L284 HydrophobicContact CG1-CB 3.96Å; V103-L284 HydrophobicContact CG2-CB 4.49Å
104L98.6Very high97.9Very high0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-62.3-40.8178.2-70.9173.2000112.4V35 T37 L41 G100 H101 W107 E108 V113 L235 L284V35-L104 HydrophobicContact CG1-CD1 4.24Å; V35-L104 HydrophobicContact CG1-CD2 4.12Å; V35-L104 HydrophobicContact CG2-CD2 4.16Å; T37-L104 HydrophobicContact CG2-CD1 4.14Å; L41-L104 HydrophobicContact CD2-CD1 4.06Å; G100-L104 WeakPolarHBondContact O-CG 3.45Å; G100-L104 PolarHBondContact O-N 2.96Å; G100-L104 VanDerWaalsContact O-N 3.09Å; H101-L104 PolarHBondContact O-N 2.71Å; L104-W107 HydrophobicContact CD2-CE3 4.07Å; L104-W107 HydrophobicContact CD2-CZ3 4.46Å; L104-W107 PolarHBondContact O-N 3.22Å; L104-E108 WeakPolarHBondContact O-CB 3.39Å; L104-E108 PolarHBondContact O-N 2.87Å; L104-V113 HydrophobicContact CD2-CG2 4.38Å; L104-L235 HydrophobicContact CD1-CD1 3.76Å; L104-L235 HydrophobicContact CD2-CD1 4.12Å; L104-L235 HydrophobicContact CG-CD1 4.38Å; L104-L284 HydrophobicContact CG-CD1 4.23Å
105S98.6Very high98Very high7 Ų748.6 Ų48.65%0.04925%0.249CC..Hα-helixtrans-58.1-47.4171.9172.10000111.3H101 V103 W107 E108 F109 A128H101-S105 WeakPolarHBondContact O-CB 3.35Å; H101-S105 PolarHBondContact O-N 3.32Å; V103-S105 VanDerWaalsContact C-N 3.33Å; V103-S105 PolarHBondContact O-N 3.25Å; S105-W107 PolarHBondContact O-N 2.97Å; S105-E108 WeakPolarHBondContact O-CB 3.38Å; S105-E108 PolarHBondContact O-N 2.93Å; S105-F109 WeakPolarHBondContact O-CD2 3.49Å; S105-F109 PolarHBondContact O-N 3.49Å; S105-A128 WeakPolarHBondContact CB-O 3.24Å; S105-A128 PolarHBondContact OG-O 3.09Å
106K98.3Very high98.1Very high137 Ų13748 Ų4860%0.59625%0.245SC*.Hα-helixtrans-60.8-42175.4-72.4174.9178.8-176.60112.9T102 V103 E108 F109 A110T102-K106 WeakPolarHBondContact O-CG 3.41Å; T102-K106 PolarHBondContact O-N 3.48Å; V103-K106 WeakPolarHBondContact O-CB 3.37Å; V103-K106 PolarHBondContact O-N 3.48Å; V103-K106 VanDerWaalsContact O-N 3.15Å; K106-E108 VanDerWaalsContact C-N 3.3Å; K106-E108 PolarHBondContact O-N 3.29Å; K106-F109 PolarHBondContact O-N 3.03Å; K106-A110 WeakPolarHBondContact O-CB 3.33Å; K106-A110 PolarHBondContact O-N 2.95Å
107W98.1Very high98.2Very high47 Ų4742.1 Ų42.118%0.17822%0.218CC..Hα-helixtrans-65.3-34.9176.7-71.72.6000112.1L27 V103 L104 S105 A110 N111 A112 V113 L233 L284 L287L27-W107 HydrophobicContact CD1-CH2 4.18Å; L27-W107 HydrophobicContact CD1-CZ3 4.37Å; V103-W107 HydrophobicContact CG1-CD2 4.01Å; V103-W107 HydrophobicContact CG1-CG 4.27Å; V103-W107 HydrophobicContact CG1-CZ2 3.94Å; V103-W107 PolarHBondContact O-N 3.37Å; L104-W107 HydrophobicContact CD2-CE3 4.07Å; L104-W107 HydrophobicContact CD2-CZ3 4.46Å; L104-W107 PolarHBondContact O-N 3.22Å; S105-W107 PolarHBondContact O-N 2.97Å; W107-A110 CarbonylContact O-C 3.56Å; W107-A110 PolarHBondContact O-N 2.92Å; W107-N111 PolarHBondContact O-N 2.76Å; W107-A112 HydrophobicContact CB-CB 4.2Å; W107-A112 PolarHBondContact O-N 2.92Å; W107-V113 HydrophobicContact CB-CB 4.41Å; W107-V113 HydrophobicContact CB-CG2 3.72Å; W107-V113 HydrophobicContact CE3-CG2 3.92Å; W107-V113 PolarHBondContact O-N 3.18Å; W107-L233 HydrophobicContact CZ3-CD2 4.1Å; W107-L284 HydrophobicContact CH2-CD2 3.69Å; W107-L284 HydrophobicContact CZ2-CD2 4.42Å; W107-L284 HydrophobicContact CZ3-CD2 3.86Å; W107-L287 HydrophobicContact CH2-CB 4.13Å; W107-L287 HydrophobicContact CH2-CD1 3.77Å; W107-L287 HydrophobicContact CZ2-CB 3.79Å; W107-L287 HydrophobicContact CZ2-CD1 4.29Å
108E97.9Very high98.2Very high1 Ų140.9 Ų40.91%0.00521%0.21CC..Hα-helixtrans-62.4-48.7172.3-171.9-169.6148.900111.4L104 S105 K106 A110 N111 S130 V131 R132L104-E108 WeakPolarHBondContact O-CB 3.39Å; L104-E108 PolarHBondContact O-N 2.87Å; S105-E108 WeakPolarHBondContact O-CB 3.38Å; S105-E108 PolarHBondContact O-N 2.93Å; K106-E108 VanDerWaalsContact C-N 3.3Å; K106-E108 PolarHBondContact O-N 3.29Å; E108-A110 PolarHBondContact O-N 3.1Å; E108-N111 WeakPolarHBondContact O-CA 3.26Å; E108-N111 PolarHBondContact O-N 2.96Å; E108-S130 WeakPolarHBondContact OE2-CA 3.4Å; E108-S130 WeakPolarHBondContact OE2-CB 3.45Å; E108-V131 WeakPolarHBondContact OE1-CA 3.39Å; E108-V131 WeakPolarHBondContact OE1-CG2 3.44Å; E108-V131 PolarHBondContact OE1-N 3.23Å; E108-V131 PolarHBondContact OE2-N 3.02Å; E108-V131 VanDerWaalsContact OE2-N 3.12Å; E108-R132 HydrophobicContact CG-CB 4.29Å; E108-R132 VanDerWaalsContact CG-NH2 3.25Å; E108-R132 PolarHBondContact O-NH2 2.85Å; E108-R132 WeakPolarHBondContact OE1-CB 3.35Å; E108-R132 WeakPolarHBondContact OE1-CG 3.47Å; E108-R132 PolarHBondContact OE1-N 2.83Å; E108-R132 IonicContact OE1-NH1 3.04Å
109F97.4Very high98.1Very high139 Ų13941 Ų4161%0.6121%0.21SC*.Hα-helixtrans-63.5-29.7176.5-75.8-69.4000113S105 K106 N111S105-F109 WeakPolarHBondContact O-CD2 3.49Å; S105-F109 PolarHBondContact O-N 3.49Å; K106-F109 PolarHBondContact O-N 3.03Å; F109-N111 PolarHBondContact O-N 3.08Å
110A97Very high98.1Very high73 Ų7336.4 Ų36.460%0.60319%0.193SC*.THydrogen-bonded Turntrans-81.84.1173.200000113.7K106 W107 E108 A112K106-A110 WeakPolarHBondContact O-CB 3.33Å; K106-A110 PolarHBondContact O-N 2.95Å; W107-A110 CarbonylContact O-C 3.56Å; W107-A110 PolarHBondContact O-N 2.92Å; E108-A110 PolarHBondContact O-N 3.1Å; A110-A112 PolarHBondContact O-N 2.88Å
111N96.2Very high98Very high122 Ų12236.8 Ų36.865%0.65220%0.196SC*.THydrogen-bonded Turntrans57.920.7-174.7-60.6-51.4000114.9W107 E108 F109W107-N111 PolarHBondContact O-N 2.76Å; E108-N111 WeakPolarHBondContact O-CA 3.26Å; E108-N111 PolarHBondContact O-N 2.96Å; F109-N111 PolarHBondContact O-N 3.08Å
112A97.6Very high97.9Very high46 Ų4636.9 Ų36.938%0.3820%0.196SC..  trans-84.1-21.3175.800000112.6L33 W107 A110L33-A112 WeakPolarHBondContact CB-O 3.39Å; W107-A112 HydrophobicContact CB-CB 4.2Å; W107-A112 PolarHBondContact O-N 2.92Å; A110-A112 PolarHBondContact O-N 2.88Å
113V98.3Very high97.9Very high1 Ų136.3 Ų36.31%0.00619%0.191CC..  trans-109.5123.2171.3168.90000109.6L33 V35 L104 W107 V116 R132L33-V113 HydrophobicContact CD2-CG2 4.21Å; V35-V113 HydrophobicContact CG2-CG1 3.96Å; V35-V113 HydrophobicContact CG2-CG2 3.93Å; L104-V113 HydrophobicContact CD2-CG2 4.38Å; W107-V113 HydrophobicContact CB-CB 4.41Å; W107-V113 HydrophobicContact CB-CG2 3.72Å; W107-V113 HydrophobicContact CE3-CG2 3.92Å; W107-V113 PolarHBondContact O-N 3.18Å; V113-V116 HydrophobicContact CG1-CG2 3.78Å; V113-R132 PolarHBondContact O-NH2 3.49Å
114H98.1Very high97.9Very high42 Ų4235.4 Ų35.419%0.19419%0.186CC..SBendtrans-70.2-55.6175177.555.8000110.4R32 L33 R132 E228R32-H114 HydrophobicContact CB-CB 4Å; L33-H114 WeakPolarHBondContact O-CB 3.47Å; L33-H114 PolarHBondContact O-N 3.17Å; H114-R132 PolarHBondContact O-NE 3.09Å; H114-E228 IonicContact CE1-OE2 3.87Å; H114-E228 PolarHBondContact CE1-OE2 2.78Å; H114-E228 IonicContact NE2-OE2 3.57Å; H114-E228 PolarHBondContact NE2-OE2 2.71Å
115W98.8Very high97.9Very high40 Ų4035.5 Ų35.515%0.15219%0.186CC..EExtended strand (participates in β ladder)trans-154148.7-177.6-152.2-92.2000112.1L34 V35 R132 T134 F221 R225L34-W115 HydrophobicContact CD1-CB 3.9Å; V35-W115 PolarHBondContact N-O 2.82Å; W115-R132 HydrophobicContact CD2-CB 4.12Å; W115-R132 HydrophobicContact CE3-CB 3.64Å; W115-R132 HydrophobicContact CE3-CG 4.13Å; W115-R132 HydrophobicContact CH2-CB 4.21Å; W115-R132 HydrophobicContact CH2-CG 4.43Å; W115-R132 HydrophobicContact CZ3-CB 3.7Å; W115-R132 HydrophobicContact CZ3-CG 3.8Å; W115-T134 PolarHBondContact NE1-OG1 3.21Å; W115-F221 AromaticContact CE2-CE1 3.67Å; W115-F221 HydrophobicContact CH2-CE1 4.2Å; W115-F221 AromaticContact CH2-CZ 3.75Å; W115-F221 HydrophobicContact CH2-CZ 3.75Å; W115-F221 AromaticContact CZ2-CE1 3.47Å; W115-F221 HydrophobicContact CZ2-CE1 3.47Å; W115-F221 VanDerWaalsContact CZ2-CE1 3.47Å; W115-F221 AromaticContact CZ2-CZ 3.49Å; W115-F221 HydrophobicContact CZ2-CZ 3.49Å; W115-F221 VanDerWaalsContact CZ2-CZ 3.49Å; W115-F221 HydrophobicContact CZ3-CZ 4.5Å; W115-F221 AromaticContact NE1-CE1 3.82Å; W115-R225 HydrophobicContact CB-CB 4.4Å; W115-R225 HydrophobicContact CB-CG 4.34Å; W115-R225 HydrophobicContact CD2-CG 4.21Å; W115-R225 HydrophobicContact CG-CB 4.46Å; W115-R225 HydrophobicContact CG-CG 3.96Å
116V98.8Very high97.9Very high0 Ų036.4 Ų36.40%020%0.196CC..EExtended strand (participates in β ladder)trans-111.1125.5171.6-178.20000110.3V35 T37 V113 R132 H133 T134V35-V116 HydrophobicContact CB-CG2 4.24Å; V35-V116 CarbonylContact O-C 3.59Å; V35-V116 WeakPolarHBondContact O-CA 3.37Å; T37-V116 HydrophobicContact CG2-CG1 4.14Å; V113-V116 HydrophobicContact CG1-CG2 3.78Å; V116-R132 PolarHBondContact N-O 3.37Å; V116-H133 HydrophobicContact CB-CB 3.96Å; V116-H133 CarbonylContact O-C 3.14Å; V116-H133 WeakPolarHBondContact O-CA 3.49Å; V116-T134 PolarHBondContact O-N 3.38Å
117V98.8Very high97.9Very high0 Ų032.9 Ų32.90%018%0.181CC..EExtended strand (participates in β ladder)trans-109.4112.5170.7-179.30000108L34 V35 I36 T37 L136 V222 L247L34-V117 HydrophobicContact CD1-CG2 3.95Å; V35-V117 PolarHBondContact O-N 2.95Å; I36-V117 CarbonylContact C-O 3.58Å; I36-V117 VanDerWaalsContact CA-O 3.26Å; I36-V117 WeakPolarHBondContact CA-O 3.29Å; I36-V117 HydrophobicContact CG1-CB 4.29Å; T37-V117 PolarHBondContact N-O 3.27Å; V117-L136 HydrophobicContact CG1-CB 3.95Å; V117-L136 HydrophobicContact CG1-CD2 4.35Å; V117-V222 HydrophobicContact CG1-CG1 4.09Å; V117-V222 HydrophobicContact CG1-CG2 4.27Å; V117-V222 HydrophobicContact CG2-CG1 3.94Å; V117-V222 HydrophobicContact CG2-CG2 4.19Å; V117-L247 HydrophobicContact CG1-CD1 4.06Å
118T98.6Very high97.9Very high4 Ų431.5 Ų31.53%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-102.2135.4178.4-175.40000111.3T37 N120 T134 E135 L136T37-T118 WeakPolarHBondContact OG1-CA 3.17Å; T37-T118 WeakPolarHBondContact OG1-CB 3.36Å; T37-T118 PolarHBondContact OG1-OG1 2.9Å; T37-T118 VanDerWaalsContact OG1-OG1 3.08Å; T118-N120 VanDerWaalsContact C-N 3.27Å; T118-N120 WeakPolarHBondContact OG1-CB 3.39Å; T118-N120 PolarHBondContact OG1-N 2.96Å; T118-T134 PolarHBondContact N-O 3.09Å; T118-E135 HydrophobicContact CG2-CB 4.34Å; T118-E135 HydrophobicContact CG2-CG 4.1Å; T118-L136 VanDerWaalsContact O-CB 3.3Å; T118-L136 WeakPolarHBondContact O-CB 3.19Å; T118-L136 PolarHBondContact O-N 3.18Å
119Q97.7Very high97.9Very high18 Ų1832.9 Ų32.98%0.08419%0.194CC..  trans-81.7-11.6166.3-68.7169.698.500111.8T37 L136 H137 T237T37-Q119 PolarHBondContact O-N 3.35Å; T37-Q119 PolarHBondContact O-NE2 3.45Å; Q119-L136 HydrophobicContact CG-CD2 4.24Å; Q119-H137 PolarHBondContact O-ND1 3.1Å; Q119-H137 VanDerWaalsContact O-ND1 3.1Å; Q119-T237 PolarHBondContact NE2-OG1 3.43Å; Q119-T237 VanDerWaalsContact NE2-OG1 3.12Å
120N97.3Very high98Very high13 Ų1326.5 Ų26.57%0.0717%0.166CC..  trans-81.2154.2-178.3-56.1-17.9000110.7G38 A39 S42 T118 D122G38-N120 VanDerWaalsContact C-CG 3.48Å; G38-N120 WeakPolarHBondContact CA-OD1 3.38Å; G38-N120 PolarHBondContact O-ND2 3.34Å; A39-N120 VanDerWaalsContact CA-OD1 3.29Å; A39-N120 WeakPolarHBondContact CA-OD1 3.48Å; A39-N120 PolarHBondContact N-OD1 2.73Å; S42-N120 PolarHBondContact OG-ND2 2.97Å; T118-N120 VanDerWaalsContact C-N 3.27Å; T118-N120 WeakPolarHBondContact OG1-CB 3.39Å; T118-N120 PolarHBondContact OG1-N 2.96Å; N120-D122 WeakPolarHBondContact CB-OD2 3.19Å; N120-D122 PolarHBondContact ND2-OD2 3.16Å
121V96.5Very high98Very high8 Ų828.1 Ų28.15%0.04817%0.169CC..SBendtrans-110.612.8-178.4-57.70000111.7F92 H137 G138 A140 D178 I207F92-V121 HydrophobicContact CZ-CG2 4.45Å; V121-H137 HydrophobicContact CG1-CB 4.23Å; V121-G138 WeakPolarHBondContact CG1-O 3.43Å; V121-A140 HydrophobicContact CB-CB 4.45Å; V121-A140 HydrophobicContact CG2-CB 4.25Å; V121-A140 VanDerWaalsContact O-CB 3.31Å; V121-A140 WeakPolarHBondContact O-CB 3.13Å; V121-A140 PolarHBondContact O-N 3.46Å; V121-D178 HydrophobicContact CG2-CB 4.33Å; V121-I207 HydrophobicContact CB-CD1 4.08Å; V121-I207 HydrophobicContact CB-CG1 3.97Å; V121-I207 HydrophobicContact CG1-CB 4.4Å; V121-I207 HydrophobicContact CG1-CD1 4.31Å; V121-I207 HydrophobicContact CG1-CG1 3.88Å; V121-I207 HydrophobicContact CG1-CG2 3.83Å; V121-I207 HydrophobicContact CG2-CD1 3.92Å; V121-I207 HydrophobicContact CG2-CG1 4.36Å
122D97Very high98.1Very high2 Ų225.5 Ų25.51%0.01115%0.15CC..SBendtrans-90.3-7-166.959.522.4000114.6S42 I47 F92 N120 L124 Y141S42-D122 WeakPolarHBondContact CB-OD2 3.49Å; S42-D122 PolarHBondContact OG-OD2 2.95Å; I47-D122 HydrophobicContact CD1-CB 3.59Å; F92-D122 HydrophobicContact CE1-CB 4.41Å; F92-D122 HydrophobicContact CE2-CB 4.32Å; F92-D122 HydrophobicContact CZ-CB 3.73Å; N120-D122 WeakPolarHBondContact CB-OD2 3.19Å; N120-D122 PolarHBondContact ND2-OD2 3.16Å; D122-L124 HydrophobicContact CB-CD1 4.46Å; D122-L124 HydrophobicContact CB-CG 4.02Å; D122-L124 PolarHBondContact O-N 2.83Å; D122-L124 VanDerWaalsContact O-N 3.12Å; D122-L124 PolarHBondContact OD1-N 3.33Å; D122-Y141 VanDerWaalsContact C-CE2 3.4Å; D122-Y141 WeakPolarHBondContact O-CE2 3.48Å; D122-Y141 PolarHBondContact O-OH 2.93Å; D122-Y141 VanDerWaalsContact O-OH 3.11Å
123N97.6Very high98.1Very high44 Ų4425.3 Ų25.324%0.23514%0.141CC..  trans54.423.4-177.8-169.928.4000113.8H125 G126 K127 Y141N123-H125 VanDerWaalsContact C-N 3.33Å; N123-H125 PolarHBondContact O-N 2.64Å; N123-G126 PolarHBondContact O-N 3.24Å; N123-K127 WeakPolarHBondContact O-CG 3.48Å; N123-K127 PolarHBondContact O-N 3.35Å; N123-Y141 HydrophobicContact CB-CD1 4.38Å; N123-Y141 HydrophobicContact CB-CD2 3.45Å; N123-Y141 VanDerWaalsContact CB-CD2 3.45Å; N123-Y141 HydrophobicContact CB-CE1 4.39Å; N123-Y141 HydrophobicContact CB-CE2 3.51Å; N123-Y141 HydrophobicContact CB-CG 3.94Å
124L98.6Very high98.2Very high0 Ų026 Ų260%015%0.145CC..Hα-helixtrans-69.5-30.3-177.7-69.2-176.1000112.6I47 C95 H101 D122 K127 A128I47-L124 HydrophobicContact CD1-CD1 4.1Å; C95-L124 HydrophobicContact CB-CD2 4.43Å; H101-L124 WeakPolarHBondContact NE2-CB 3.28Å; D122-L124 HydrophobicContact CB-CD1 4.46Å; D122-L124 HydrophobicContact CB-CG 4.02Å; D122-L124 PolarHBondContact O-N 2.83Å; D122-L124 VanDerWaalsContact O-N 3.12Å; D122-L124 PolarHBondContact OD1-N 3.33Å; L124-K127 HydrophobicContact CD2-CD 4.08Å; L124-K127 PolarHBondContact O-N 2.92Å; L124-A128 WeakPolarHBondContact O-CB 3.45Å; L124-A128 PolarHBondContact O-N 3.39Å
125H98.7Very high98.2Very high2 Ų225.1 Ų25.11%0.00914%0.141CC..Hα-helixtrans-64.1-46.3172.6-74.2-67.7000112.2T37 H101 N123 A128 G129 S130T37-H125 PolarHBondContact OG1-NE2 2.96Å; H101-H125 AromaticContact CD2-CE1 3.73Å; H101-H125 AromaticContact CD2-ND1 3.78Å; H101-H125 AromaticContact CD2-NE2 3.95Å; N123-H125 VanDerWaalsContact C-N 3.33Å; N123-H125 PolarHBondContact O-N 2.64Å; H125-A128 WeakPolarHBondContact O-CB 3.21Å; H125-A128 PolarHBondContact O-N 3.43Å; H125-A128 VanDerWaalsContact O-N 3.15Å; H125-G129 PolarHBondContact O-N 2.75Å; H125-S130 VanDerWaalsContact O-CB 3.25Å; H125-S130 WeakPolarHBondContact O-CB 3.49Å; H125-S130 PolarHBondContact O-N 3.47Å; H125-S130 PolarHBondContact O-OG 2.87Å
126G98.2Very high98.1Very high25 Ų2523.5 Ų23.526%0.25814%0.136SC..Hα-helixtrans-62.3-43.2175.400000111.9N123 A128 G129N123-G126 PolarHBondContact O-N 3.24Å; G126-A128 PolarHBondContact O-N 3.34Å; G126-G129 PolarHBondContact O-N 3.45Å
127K98.4Very high98Very high63 Ų6325 Ų2527%0.27414%0.142SC..Hα-helixtrans-61.8-29.9173.3-72.7175.9171.8179.70113.6S93 C95 P97 N123 L124 G129 Y141S93-K127 PolarHBondContact O-NZ 3.06Å; C95-K127 PolarHBondContact O-NZ 2.97Å; P97-K127 HydrophobicContact CG-CB 4.21Å; N123-K127 WeakPolarHBondContact O-CG 3.48Å; N123-K127 PolarHBondContact O-N 3.35Å; L124-K127 HydrophobicContact CD2-CD 4.08Å; L124-K127 PolarHBondContact O-N 2.92Å; K127-G129 PolarHBondContact O-N 3.44Å; K127-Y141 WeakPolarHBondContact CE-OH 3.42Å; K127-Y141 PolarHBondContact NZ-OH 2.99Å
128A98.4Very high98Very high19 Ų1925 Ų2516%0.15714%0.142CC..THydrogen-bonded Turntrans-77-5.8174.500000113.4P97 H101 S105 L124 H125 G126P97-A128 HydrophobicContact CB-CB 3.75Å; P97-A128 HydrophobicContact CG-CB 4.1Å; H101-A128 HydrophobicContact CB-CB 3.83Å; S105-A128 WeakPolarHBondContact CB-O 3.24Å; S105-A128 PolarHBondContact OG-O 3.09Å; L124-A128 WeakPolarHBondContact O-CB 3.45Å; L124-A128 PolarHBondContact O-N 3.39Å; H125-A128 WeakPolarHBondContact O-CB 3.21Å; H125-A128 PolarHBondContact O-N 3.43Å; H125-A128 VanDerWaalsContact O-N 3.15Å; G126-A128 PolarHBondContact O-N 3.34Å
129G98.2Very high97.9Very high30 Ų3024.8 Ų24.831%0.30914%0.141SC..THydrogen-bonded Turntrans938.6-178.600000114.9H125 G126 K127 V131H125-G129 PolarHBondContact O-N 2.75Å; G126-G129 PolarHBondContact O-N 3.45Å; K127-G129 PolarHBondContact O-N 3.44Å; G129-V131 PolarHBondContact O-N 3.05Å
130S98.4Very high97.8Very high4 Ų424.3 Ų24.33%0.02814%0.14CC..  trans-68130.3176.1-44.30000109.7E108 H125 H133E108-S130 WeakPolarHBondContact OE2-CA 3.4Å; E108-S130 WeakPolarHBondContact OE2-CB 3.45Å; H125-S130 VanDerWaalsContact O-CB 3.25Å; H125-S130 WeakPolarHBondContact O-CB 3.49Å; H125-S130 PolarHBondContact O-N 3.47Å; H125-S130 PolarHBondContact O-OG 2.87Å; S130-H133 PolarHBondContact O-CE1 3.43Å; S130-H133 PolarHBondContact O-ND1 3.15Å
131V98Very high97.8Very high107 Ų10725.4 Ų25.465%0.64814%0.144SC*.  trans-110.4-28.4179.8-60.90000112.5E108 G129 H133E108-V131 WeakPolarHBondContact OE1-CA 3.39Å; E108-V131 WeakPolarHBondContact OE1-CG2 3.44Å; E108-V131 PolarHBondContact OE1-N 3.23Å; E108-V131 PolarHBondContact OE2-N 3.02Å; E108-V131 VanDerWaalsContact OE2-N 3.12Å; G129-V131 PolarHBondContact O-N 3.05Å; V131-H133 PolarHBondContact O-N 3.41Å
132R98.3Very high97.9Very high67 Ų6728.3 Ų28.325%0.25315%0.154SC..SBendtrans-92.663.2176.1-64.3-165.7-59.3-86.75.9111.5E108 V113 H114 W115 V116E108-R132 HydrophobicContact CG-CB 4.29Å; E108-R132 VanDerWaalsContact CG-NH2 3.25Å; E108-R132 PolarHBondContact O-NH2 2.85Å; E108-R132 WeakPolarHBondContact OE1-CB 3.35Å; E108-R132 WeakPolarHBondContact OE1-CG 3.47Å; E108-R132 PolarHBondContact OE1-N 2.83Å; E108-R132 IonicContact OE1-NH1 3.04Å; V113-R132 PolarHBondContact O-NH2 3.49Å; H114-R132 PolarHBondContact O-NE 3.09Å; W115-R132 HydrophobicContact CD2-CB 4.12Å; W115-R132 HydrophobicContact CE3-CB 3.64Å; W115-R132 HydrophobicContact CE3-CG 4.13Å; W115-R132 HydrophobicContact CH2-CB 4.21Å; W115-R132 HydrophobicContact CH2-CG 4.43Å; W115-R132 HydrophobicContact CZ3-CB 3.7Å; W115-R132 HydrophobicContact CZ3-CG 3.8Å; V116-R132 PolarHBondContact N-O 3.37Å
133H98.4Very high98Very high42 Ų4228.2 Ų28.219%0.19415%0.153CC..EExtended strand (participates in β ladder)trans-133152.4177.473.7-82.2000113.9V116 S130 V131V116-H133 HydrophobicContact CB-CB 3.96Å; V116-H133 CarbonylContact O-C 3.14Å; V116-H133 WeakPolarHBondContact O-CA 3.49Å; S130-H133 PolarHBondContact O-CE1 3.43Å; S130-H133 PolarHBondContact O-ND1 3.15Å; V131-H133 PolarHBondContact O-N 3.41Å
134T98.6Very high98Very high17 Ų1727.3 Ų27.310%0.10415%0.148CC..EExtended strand (participates in β ladder)trans-125.5124.5174.2-56.90000110.4W115 V116 T118 L136 R218 F221 V222W115-T134 PolarHBondContact NE1-OG1 3.21Å; V116-T134 PolarHBondContact O-N 3.38Å; T118-T134 PolarHBondContact N-O 3.09Å; T134-L136 PolarHBondContact O-N 3.21Å; T134-R218 HydrophobicContact CG2-CG 3.8Å; T134-F221 WeakPolarHBondContact OG1-CE1 3.28Å; T134-V222 HydrophobicContact CG2-CG2 3.73Å
135E98.3Very high98Very high23 Ų2327.3 Ų27.311%0.10715%0.148CC..EExtended strand (participates in β ladder)trans-80.590.8171.5-58.6173.3115.100109.6T118 H137 G138 T139 R142 R218T118-E135 HydrophobicContact CG2-CB 4.34Å; T118-E135 HydrophobicContact CG2-CG 4.1Å; E135-H137 VanDerWaalsContact C-N 3.31Å; E135-H137 PolarHBondContact O-N 2.9Å; E135-G138 WeakPolarHBondContact CB-O 3.46Å; E135-G138 PolarHBondContact O-N 3.28Å; E135-T139 VanDerWaalsContact CD-CB 3.47Å; E135-T139 WeakPolarHBondContact OE1-CB 3.39Å; E135-T139 PolarHBondContact OE1-OG1 2.96Å; E135-T139 VanDerWaalsContact OE2-CB 3.31Å; E135-T139 WeakPolarHBondContact OE2-CB 2.96Å; E135-R142 IonicContact OE2-NH1 3Å; E135-R142 PolarHBondContact OE2-NH1 2.7Å; E135-R142 IonicContact OE2-NH2 3.63Å; E135-R218 WeakPolarHBondContact O-CD 3.38Å; E135-R218 PolarHBondContact O-NE 2.83Å; E135-R218 PolarHBondContact O-NH1 2.73Å
136L98.3Very high98Very high6 Ų629 Ų293%0.03116%0.157CC..THydrogen-bonded Turntrans-55.9-45.2-173.1-177.663.4000111.8V117 T118 Q119 T134 G138 V214 R218 V222 L247V117-L136 HydrophobicContact CG1-CB 3.95Å; V117-L136 HydrophobicContact CG1-CD2 4.35Å; T118-L136 VanDerWaalsContact O-CB 3.3Å; T118-L136 WeakPolarHBondContact O-CB 3.19Å; T118-L136 PolarHBondContact O-N 3.18Å; Q119-L136 HydrophobicContact CG-CD2 4.24Å; T134-L136 PolarHBondContact O-N 3.21Å; L136-G138 VanDerWaalsContact C-N 3.28Å; L136-G138 PolarHBondContact O-N 3.07Å; L136-V214 HydrophobicContact CD1-CG1 4.13Å; L136-V214 WeakPolarHBondContact O-CG1 3.13Å; L136-R218 VanDerWaalsContact O-CD 3.27Å; L136-R218 WeakPolarHBondContact O-CD 3.43Å; L136-R218 PolarHBondContact O-NH1 2.89Å; L136-V222 HydrophobicContact CD1-CG2 4.38Å; L136-L247 HydrophobicContact CD2-CD1 4.23Å
137H96.6Very high97.9Very high30 Ų3031.5 Ų31.514%0.13917%0.171CC..THydrogen-bonded Turntrans-91.114178-62150.3000113.1Q119 V121 E135 I207 V208 S243Q119-H137 PolarHBondContact O-ND1 3.1Å; Q119-H137 VanDerWaalsContact O-ND1 3.1Å; V121-H137 HydrophobicContact CG1-CB 4.23Å; E135-H137 VanDerWaalsContact C-N 3.31Å; E135-H137 PolarHBondContact O-N 2.9Å; H137-I207 CarbonylContact O-C 3.4Å; H137-I207 VanDerWaalsContact O-CA 3.31Å; H137-I207 WeakPolarHBondContact O-CA 3.41Å; H137-V208 PolarHBondContact O-N 3.18Å; H137-S243 PolarHBondContact NE2-OG 3.41Å
138G97.3Very high97.9Very high0 Ų030.9 Ų30.90%017%0.174CC..EExtended strand (participates in β ladder)trans76.3-157.9-177.800000112V121 E135 L136 D206V121-G138 WeakPolarHBondContact CG1-O 3.43Å; E135-G138 WeakPolarHBondContact CB-O 3.46Å; E135-G138 PolarHBondContact O-N 3.28Å; L136-G138 VanDerWaalsContact C-N 3.28Å; L136-G138 PolarHBondContact O-N 3.07Å; G138-D206 CarbonylContact C-O 3.56Å; G138-D206 WeakPolarHBondContact CA-O 3.23Å
139T97.2Very high97.9Very high1 Ų136.2 Ų36.21%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-139.6143.2-169.6-161.30000112.9E135 Y141 R142 D206 I207E135-T139 VanDerWaalsContact CD-CB 3.47Å; E135-T139 WeakPolarHBondContact OE1-CB 3.39Å; E135-T139 PolarHBondContact OE1-OG1 2.96Å; E135-T139 VanDerWaalsContact OE2-CB 3.31Å; E135-T139 WeakPolarHBondContact OE2-CB 2.96Å; T139-Y141 PolarHBondContact O-N 3.4Å; T139-Y141 PolarHBondContact OG1-N 3.49Å; T139-R142 HydrophobicContact CG2-CB 3.77Å; T139-R142 HydrophobicContact CG2-CG 3.77Å; T139-D206 HydrophobicContact CG2-CB 4.49Å; T139-D206 PolarHBondContact N-O 2.98Å; T139-D206 CarbonylContact O-C 3.55Å; T139-I207 VanDerWaalsContact C-CG1 3.48Å; T139-I207 WeakPolarHBondContact O-CG1 3.46Å
140A96.1Very high97.8Very high8 Ų839.7 Ų39.77%0.06620%0.197CC..EExtended strand (participates in β ladder)trans-72.7-14.616900000112.1W89 F92 V121 R142 R154 I207W89-A140 HydrophobicContact CZ3-CB 4.47Å; F92-A140 HydrophobicContact CD1-CB 4.46Å; F92-A140 HydrophobicContact CE1-CB 3.67Å; F92-A140 HydrophobicContact CZ-CB 4.24Å; V121-A140 HydrophobicContact CB-CB 4.45Å; V121-A140 HydrophobicContact CG2-CB 4.25Å; V121-A140 VanDerWaalsContact O-CB 3.31Å; V121-A140 WeakPolarHBondContact O-CB 3.13Å; V121-A140 PolarHBondContact O-N 3.46Å; A140-R142 VanDerWaalsContact C-N 3.3Å; A140-R142 PolarHBondContact O-N 3.12Å; A140-R154 VanDerWaalsContact O-CB 3.25Å; A140-R154 WeakPolarHBondContact O-CB 3.38Å; A140-R154 WeakPolarHBondContact O-CG 3.14Å; A140-I207 HydrophobicContact CB-CD1 3.84Å
141Y97.4Very high97.8Very high35 Ų3544.5 Ų44.514%0.13722%0.219CC..EExtended strand (participates in β ladder)trans-84.4-0.8-172.9-72.4-106.9000114.1W89 F92 D122 N123 K127 T139 R154W89-Y141 AromaticContact CH2-CD1 3.64Å; W89-Y141 HydrophobicContact CH2-CD1 3.64Å; W89-Y141 HydrophobicContact CH2-CD2 4.31Å; W89-Y141 AromaticContact CH2-CE1 3.77Å; W89-Y141 HydrophobicContact CH2-CE1 3.77Å; W89-Y141 HydrophobicContact CH2-CE2 4.39Å; W89-Y141 AromaticContact CH2-CG 3.92Å; W89-Y141 HydrophobicContact CH2-CG 3.92Å; W89-Y141 HydrophobicContact CZ2-CD1 4.41Å; W89-Y141 HydrophobicContact CZ2-CE1 4.49Å; W89-Y141 HydrophobicContact CZ3-CE2 4.46Å; F92-Y141 HydrophobicContact CD1-CE2 4.43Å; F92-Y141 AromaticContact CE1-CE2 3.87Å; F92-Y141 HydrophobicContact CE1-CE2 3.87Å; D122-Y141 VanDerWaalsContact C-CE2 3.4Å; D122-Y141 WeakPolarHBondContact O-CE2 3.48Å; D122-Y141 PolarHBondContact O-OH 2.93Å; D122-Y141 VanDerWaalsContact O-OH 3.11Å; N123-Y141 HydrophobicContact CB-CD1 4.38Å; N123-Y141 HydrophobicContact CB-CD2 3.45Å; N123-Y141 VanDerWaalsContact CB-CD2 3.45Å; N123-Y141 HydrophobicContact CB-CE1 4.39Å; N123-Y141 HydrophobicContact CB-CE2 3.51Å; N123-Y141 HydrophobicContact CB-CG 3.94Å; K127-Y141 WeakPolarHBondContact CE-OH 3.42Å; K127-Y141 PolarHBondContact NZ-OH 2.99Å; T139-Y141 PolarHBondContact O-N 3.4Å; T139-Y141 PolarHBondContact OG1-N 3.49Å; Y141-R154 VanDerWaalsContact C-CB 3.44Å; Y141-R154 WeakPolarHBondContact O-CB 3.38Å; Y141-R154 PolarHBondContact O-N 3.1Å
142R98.1Very high97.8Very high69 Ų6940.8 Ų40.826%0.2619%0.193SC..EExtended strand (participates in β ladder)trans-130.5150175.8-64.8-174.2-55.1-91.6-2110.5E135 T139 A140 W152 D206E135-R142 IonicContact OE2-NH1 3Å; E135-R142 PolarHBondContact OE2-NH1 2.7Å; E135-R142 IonicContact OE2-NH2 3.63Å; T139-R142 HydrophobicContact CG2-CB 3.77Å; T139-R142 HydrophobicContact CG2-CG 3.77Å; A140-R142 VanDerWaalsContact C-N 3.3Å; A140-R142 PolarHBondContact O-N 3.12Å; R142-W152 WeakPolarHBondContact CA-O 3.3Å; R142-D206 HydrophobicContact CB-CB 3.82Å; R142-D206 IonicContact CZ-OD2 2.67Å; R142-D206 VanDerWaalsContact CZ-OD2 3.25Å; R142-D206 IonicContact NE-OD2 3.57Å; R142-D206 PolarHBondContact NE-OD2 3.44Å; R142-D206 IonicContact NH2-OD2 3.61Å; R142-D206 PolarHBondContact NH2-OD2 3.04Å; R142-D206 PolarHBondContact O-N 3.37Å
143V98.4Very high97.8Very high0 Ų045.2 Ų45.20%021%0.211CC..EExtended strand (participates in β ladder)trans-120.1139.4171.2179.60000108W82 Q151 W152 F157 V203 K204W82-V143 HydrophobicContact CH2-CB 4.4Å; W82-V143 HydrophobicContact CH2-CG1 3.74Å; W82-V143 HydrophobicContact CH2-CG2 3.77Å; W82-V143 HydrophobicContact CZ2-CG1 4.1Å; W82-V143 HydrophobicContact CZ3-CG2 4.32Å; V143-Q151 CarbonylContact O-C 3.56Å; V143-Q151 WeakPolarHBondContact O-CA 3.34Å; V143-W152 HydrophobicContact CB-CE3 4.34Å; V143-W152 HydrophobicContact CG1-CE3 4.23Å; V143-W152 PolarHBondContact N-O 3.42Å; V143-W152 PolarHBondContact O-N 3.43Å; V143-F157 HydrophobicContact CB-CD1 4.3Å; V143-F157 HydrophobicContact CB-CD2 4.19Å; V143-F157 HydrophobicContact CB-CG 4.08Å; V143-F157 HydrophobicContact CG1-CD1 4.11Å; V143-F157 HydrophobicContact CG1-CD2 4.08Å; V143-F157 HydrophobicContact CG1-CE1 3.92Å; V143-F157 HydrophobicContact CG1-CE2 3.9Å; V143-F157 HydrophobicContact CG1-CG 4.17Å; V143-F157 HydrophobicContact CG1-CZ 3.81Å; V143-F157 HydrophobicContact CG2-CB 3.95Å; V143-F157 HydrophobicContact CG2-CD1 3.73Å; V143-F157 HydrophobicContact CG2-CD2 4.38Å; V143-F157 HydrophobicContact CG2-CE1 4.32Å; V143-F157 HydrophobicContact CG2-CG 3.76Å; V143-V203 HydrophobicContact CG1-CB 4.01Å; V143-V203 HydrophobicContact CG1-CG2 4.49Å; V143-K204 WeakPolarHBondContact CA-O 3.5Å; V143-K204 WeakPolarHBondContact CG1-O 3.4Å
144I98.3Very high97.8Very high26 Ų2643.3 Ų43.313%0.13320%0.202CC..EExtended strand (participates in β ladder)trans-126.4139-178.5-169.9169.5000111.3L146 K149 R150 Q151 V203 K204 D206I144-L146 HydrophobicContact CG2-CD2 4.43Å; I144-K149 HydrophobicContact CD1-CD 4.48Å; I144-R150 WeakPolarHBondContact CA-O 3.29Å; I144-Q151 HydrophobicContact CB-CG 4.35Å; I144-Q151 HydrophobicContact CD1-CG 4.39Å; I144-Q151 HydrophobicContact CG1-CG 4.1Å; I144-V203 WeakPolarHBondContact O-CA 3.31Å; I144-K204 PolarHBondContact N-O 3.11Å; I144-K204 PolarHBondContact O-N 3.09Å; I144-D206 HydrophobicContact CG2-CB 4.42Å
145C98.5Very high97.7Very high0 Ų047 Ų470%022%0.218CC..EExtended strand (participates in β ladder)trans-77.6126.2168178.70000110.1S147 C148 K149 R150 W152 C196 V203C145-S147 PolarHBondContact O-N 3.06Å; C145-C148 PolarHBondContact SG-N 3.32Å; C145-K149 VanDerWaalsContact O-CA 3.3Å; C145-K149 WeakPolarHBondContact O-CA 3.28Å; C145-K149 PolarHBondContact O-N 2.75Å; C145-R150 HydrophobicContact CB-CB 4.43Å; C145-R150 PolarHBondContact N-O 2.89Å; C145-W152 HydrophobicContact CB-CH2 4.07Å; C145-W152 HydrophobicContact CB-CZ3 4.05Å; C145-C196 HydrophobicContact CB-CB 4.16Å; C145-V203 HydrophobicContact CB-CG1 4.38Å
146L97.6Very high97.6Very high36 Ų3651.2 Ų51.219%0.18824%0.238CC..THydrogen-bonded Turntrans-70.7-21.1-177.1-60.3-172.1000113.2L72 I144 K149 I202 K204L72-L146 HydrophobicContact CD2-CD1 3.48Å; L72-L146 VanDerWaalsContact CD2-CD1 3.48Å; I144-L146 HydrophobicContact CG2-CD2 4.43Å; L146-K149 PolarHBondContact O-NZ 3.37Å; L146-I202 HydrophobicContact CD1-CB 4.15Å; L146-I202 HydrophobicContact CD1-CG2 3.69Å; L146-I202 HydrophobicContact CG-CG2 4.29Å; L146-I202 PolarHBondContact N-O 3.37Å; L146-K204 HydrophobicContact CD2-CB 3.97Å; L146-K204 HydrophobicContact CG-CB 4.4Å
147S98Very high97.6Very high79 Ų7951.1 Ų51.155%0.55224%0.237SC*.THydrogen-bonded Turntrans-91.4-77.8175.8176.80000111.7C145 K149 A201C145-S147 PolarHBondContact O-N 3.06Å; S147-K149 VanDerWaalsContact C-N 3.27Å; S147-K149 PolarHBondContact O-N 3.23Å; S147-A201 VanDerWaalsContact CB-CB 3.5Å
148C97.9Very high97.6Very high49 Ų4950.8 Ų50.833%0.33124%0.236SC..THydrogen-bonded Turntrans-81.54-171.272.90000115.4C145 R150C145-C148 PolarHBondContact SG-N 3.32Å; C148-R150 PolarHBondContact O-N 3.34Å
149K97.2Very high97.6Very high131 Ų13156.5 Ų56.557%0.5726%0.261SS*.  trans58.29.3178.7-49.5-52.6-176.2-170.30116.3I144 C145 L146 S147 Q151I144-K149 HydrophobicContact CD1-CD 4.48Å; C145-K149 VanDerWaalsContact O-CA 3.3Å; C145-K149 WeakPolarHBondContact O-CA 3.28Å; C145-K149 PolarHBondContact O-N 2.75Å; L146-K149 PolarHBondContact O-NZ 3.37Å; S147-K149 VanDerWaalsContact C-N 3.27Å; S147-K149 PolarHBondContact O-N 3.23Å; K149-Q151 PolarHBondContact O-N 2.79Å
150R97.8Very high97.6Very high104 Ų10460.2 Ų60.239%0.39228%0.276SS..  trans-54.8140.8170.1-175.4171.4-177.5-166.85109.9I144 C145 C148 W152 D197I144-R150 WeakPolarHBondContact CA-O 3.29Å; C145-R150 HydrophobicContact CB-CB 4.43Å; C145-R150 PolarHBondContact N-O 2.89Å; C148-R150 PolarHBondContact O-N 3.34Å; R150-W152 HydrophobicContact CB-CH2 3.77Å; R150-W152 HydrophobicContact CB-CZ2 4.2Å; R150-W152 HydrophobicContact CB-CZ3 4.26Å; R150-W152 VanDerWaalsContact CD-CZ2 3.41Å; R150-W152 HydrophobicContact CG-CH2 3.68Å; R150-W152 HydrophobicContact CG-CZ2 3.6Å; R150-W152 HydrophobicContact CG-CZ3 4.25Å; R150-W152 WeakPolarHBondContact O-CZ3 3.41Å; R150-D197 IonicContact CZ-OD1 3.78Å; R150-D197 IonicContact CZ-OD2 3.41Å; R150-D197 IonicContact NH1-OD1 2.78Å; R150-D197 PolarHBondContact NH1-OD1 3.42Å; R150-D197 IonicContact NH1-OD2 3.32Å; R150-D197 PolarHBondContact NH1-OD2 2.76Å; R150-D197 IonicContact NH2-OD2 3.47Å
151Q97.9Very high97.6Very high104 Ų10459.8 Ų59.849%0.48627%0.272SS..EExtended strand (participates in β ladder)trans-119.9155.4-179.8-66.5179.9-13.900111.6V143 I144 K149V143-Q151 CarbonylContact O-C 3.56Å; V143-Q151 WeakPolarHBondContact O-CA 3.34Å; I144-Q151 HydrophobicContact CB-CG 4.35Å; I144-Q151 HydrophobicContact CD1-CG 4.39Å; I144-Q151 HydrophobicContact CG1-CG 4.1Å; K149-Q151 PolarHBondContact O-N 2.79Å
152W98.2Very high97.5Very high29 Ų2964 Ų6411%0.1129%0.291CS..EExtended strand (participates in β ladder)trans-135.8149.7172.3-59.5-98.8000109.6R142 V143 C145 R150 F157 C196 D197 V203R142-W152 WeakPolarHBondContact CA-O 3.3Å; V143-W152 HydrophobicContact CB-CE3 4.34Å; V143-W152 HydrophobicContact CG1-CE3 4.23Å; V143-W152 PolarHBondContact N-O 3.42Å; V143-W152 PolarHBondContact O-N 3.43Å; C145-W152 HydrophobicContact CB-CH2 4.07Å; C145-W152 HydrophobicContact CB-CZ3 4.05Å; R150-W152 HydrophobicContact CB-CH2 3.77Å; R150-W152 HydrophobicContact CB-CZ2 4.2Å; R150-W152 HydrophobicContact CB-CZ3 4.26Å; R150-W152 VanDerWaalsContact CD-CZ2 3.41Å; R150-W152 HydrophobicContact CG-CH2 3.68Å; R150-W152 HydrophobicContact CG-CZ2 3.6Å; R150-W152 HydrophobicContact CG-CZ3 4.25Å; R150-W152 WeakPolarHBondContact O-CZ3 3.41Å; W152-F157 HydrophobicContact CB-CB 4.3Å; W152-F157 HydrophobicContact CB-CD2 4.01Å; W152-F157 HydrophobicContact CD2-CD2 4.05Å; W152-F157 HydrophobicContact CD2-CE2 4.23Å; W152-F157 HydrophobicContact CE3-CD2 4.37Å; W152-F157 HydrophobicContact CE3-CE2 4.29Å; W152-F157 AromaticContact CG-CD2 3.88Å; W152-F157 HydrophobicContact CG-CD2 3.88Å; W152-C196 HydrophobicContact CH2-CB 4.35Å; W152-D197 VanDerWaalsContact CZ2-OD1 3.28Å; W152-D197 WeakPolarHBondContact CZ2-OD1 3.18Å; W152-V203 HydrophobicContact CH2-CG1 4.43Å; W152-V203 HydrophobicContact CZ3-CG1 4.18Å
153Y98.1Very high97.5Very high160 Ų16069.1 Ų69.163%0.62732%0.316SS*.EExtended strand (participates in β ladder)trans-66.3137.2160.3-67.2-64.1000109.4E155 E156 F157Y153-E155 PolarHBondContact O-N 2.78Å; Y153-E156 PolarHBondContact O-N 3.22Å; Y153-E156 VanDerWaalsContact O-N 3.16Å; Y153-F157 PolarHBondContact O-N 3.4Å
154R97.6Very high97.4Very high2 Ų271.2 Ų71.21%0.00833%0.326CS..Hα-helixtrans-61.1-29.6-17718064.8-175.770.33.9112.7S85 W89 A140 Y141 F157 Q158 M161S85-R154 PolarHBondContact O-NH2 2.79Å; S85-R154 PolarHBondContact OG-NH2 3.18Å; S85-R154 VanDerWaalsContact OG-NH2 3.08Å; W89-R154 HydrophobicContact CD2-CG 3.65Å; W89-R154 HydrophobicContact CE3-CG 3.51Å; W89-R154 HydrophobicContact CH2-CB 3.63Å; W89-R154 HydrophobicContact CH2-CG 3.45Å; W89-R154 VanDerWaalsContact CH2-CG 3.45Å; W89-R154 HydrophobicContact CZ2-CB 3.79Å; W89-R154 HydrophobicContact CZ2-CG 3.6Å; W89-R154 HydrophobicContact CZ3-CB 4.06Å; W89-R154 HydrophobicContact CZ3-CG 3.41Å; W89-R154 VanDerWaalsContact CZ3-CG 3.41Å; A140-R154 VanDerWaalsContact O-CB 3.25Å; A140-R154 WeakPolarHBondContact O-CB 3.38Å; A140-R154 WeakPolarHBondContact O-CG 3.14Å; Y141-R154 VanDerWaalsContact C-CB 3.44Å; Y141-R154 WeakPolarHBondContact O-CB 3.38Å; Y141-R154 PolarHBondContact O-N 3.1Å; R154-F157 PolarHBondContact O-N 3.22Å; R154-Q158 VanDerWaalsContact CZ-OE1 3.27Å; R154-Q158 PolarHBondContact O-N 2.98Å; R154-M161 VanDerWaalsContact NH1-CE 3.31Å; R154-M161 VanDerWaalsContact NH2-CE 3.35Å
155E97.1Very high97.3Very high94 Ų9470.2 Ų70.244%0.43932%0.321SS..Hα-helixtrans-62.5-51.1174.5-165.669.3-152.100111.2W89 Y153 F157 Q158 F159W89-E155 PolarHBondContact NE1-OE2 3.21Å; Y153-E155 PolarHBondContact O-N 2.78Å; E155-F157 VanDerWaalsContact C-N 3.29Å; E155-F157 PolarHBondContact O-N 2.82Å; E155-Q158 VanDerWaalsContact O-CB 3.23Å; E155-Q158 WeakPolarHBondContact O-CB 3.41Å; E155-Q158 PolarHBondContact O-N 2.87Å; E155-Q158 VanDerWaalsContact O-N 3.12Å; E155-F159 HydrophobicContact CG-CE2 4.37Å; E155-F159 WeakPolarHBondContact O-CD2 3.42Å; E155-F159 PolarHBondContact O-N 2.9Å
156E96.9Very high97Very high112 Ų11275 Ų7552%0.52335%0.352SS..Hα-helixtrans-62-40.2175.6-61.6174.8155.700111.2Y153 Q158 F159 Y160Y153-E156 PolarHBondContact O-N 3.22Å; Y153-E156 VanDerWaalsContact O-N 3.16Å; E156-Q158 VanDerWaalsContact C-N 3.27Å; E156-Q158 PolarHBondContact O-N 2.79Å; E156-F159 WeakPolarHBondContact O-CB 3.25Å; E156-F159 PolarHBondContact O-N 3.19Å; E156-F159 VanDerWaalsContact O-N 3.14Å; E156-Y160 PolarHBondContact O-N 3.04Å; E156-Y160 VanDerWaalsContact O-N 3.13Å
157F97.7Very high96.7Very high4 Ų478.6 Ų78.62%0.01838%0.381CS..Hα-helixtrans-66.1-29.2177.2-155.2-99000112.6W82 V143 W152 Y153 R154 E155 F159 Y160 M161 P194 V203W82-F157 HydrophobicContact CE3-CE1 4.43Å; W82-F157 HydrophobicContact CH2-CD1 4.16Å; W82-F157 AromaticContact CH2-CE1 3.78Å; W82-F157 HydrophobicContact CH2-CE1 3.78Å; W82-F157 HydrophobicContact CZ2-CE1 4.18Å; W82-F157 HydrophobicContact CZ3-CD1 4.08Å; W82-F157 AromaticContact CZ3-CE1 3.92Å; W82-F157 HydrophobicContact CZ3-CE1 3.92Å; V143-F157 HydrophobicContact CB-CD1 4.3Å; V143-F157 HydrophobicContact CB-CD2 4.19Å; V143-F157 HydrophobicContact CB-CG 4.08Å; V143-F157 HydrophobicContact CG1-CD1 4.11Å; V143-F157 HydrophobicContact CG1-CD2 4.08Å; V143-F157 HydrophobicContact CG1-CE1 3.92Å; V143-F157 HydrophobicContact CG1-CE2 3.9Å; V143-F157 HydrophobicContact CG1-CG 4.17Å; V143-F157 HydrophobicContact CG1-CZ 3.81Å; V143-F157 HydrophobicContact CG2-CB 3.95Å; V143-F157 HydrophobicContact CG2-CD1 3.73Å; V143-F157 HydrophobicContact CG2-CD2 4.38Å; V143-F157 HydrophobicContact CG2-CE1 4.32Å; V143-F157 HydrophobicContact CG2-CG 3.76Å; W152-F157 HydrophobicContact CB-CB 4.3Å; W152-F157 HydrophobicContact CB-CD2 4.01Å; W152-F157 HydrophobicContact CD2-CD2 4.05Å; W152-F157 HydrophobicContact CD2-CE2 4.23Å; W152-F157 HydrophobicContact CE3-CD2 4.37Å; W152-F157 HydrophobicContact CE3-CE2 4.29Å; W152-F157 AromaticContact CG-CD2 3.88Å; W152-F157 HydrophobicContact CG-CD2 3.88Å; Y153-F157 PolarHBondContact O-N 3.4Å; R154-F157 PolarHBondContact O-N 3.22Å; E155-F157 VanDerWaalsContact C-N 3.29Å; E155-F157 PolarHBondContact O-N 2.82Å; F157-F159 VanDerWaalsContact C-N 3.34Å; F157-Y160 HydrophobicContact CD2-CD1 4.15Å; F157-Y160 HydrophobicContact CE1-CD1 4.41Å; F157-Y160 AromaticContact CE2-CD1 3.75Å; F157-Y160 HydrophobicContact CE2-CD1 3.75Å; F157-Y160 HydrophobicContact CE2-CE1 4.17Å; F157-Y160 AromaticContact CZ-CD1 3.9Å; F157-Y160 HydrophobicContact CZ-CD1 3.9Å; F157-Y160 HydrophobicContact CZ-CE1 4.13Å; F157-Y160 WeakPolarHBondContact O-CB 3.11Å; F157-Y160 PolarHBondContact O-N 3.33Å; F157-M161 HydrophobicContact CD1-CE 3.87Å; F157-M161 HydrophobicContact CD1-CG 4.11Å; F157-M161 HydrophobicContact CD1-SD 4.13Å; F157-M161 HydrophobicContact CE1-CE 4.42Å; F157-M161 HydrophobicContact CE1-CG 4.04Å; F157-M161 HydrophobicContact CE1-SD 4.08Å; F157-M161 WeakPolarHBondContact O-CG 2.99Å; F157-M161 PolarHBondContact O-N 2.93Å; F157-P194 HydrophobicContact CE1-CB 3.74Å; F157-P194 HydrophobicContact CE1-CG 3.77Å; F157-P194 HydrophobicContact CZ-CB 3.67Å; F157-P194 HydrophobicContact CZ-CG 4.1Å; F157-V203 HydrophobicContact CE1-CG2 4.31Å; F157-V203 HydrophobicContact CZ-CB 4.3Å; F157-V203 HydrophobicContact CZ-CG2 3.65Å
158Q96.9Very high96.3Very high23 Ų2375.8 Ų75.811%0.10736%0.358CS..Hα-helixtrans-61.4-43.4171.7-17369.312.900110.8Y86 R154 E155 E156 Y160 M161 K162Y86-Q158 PolarHBondContact O-NE2 3.12Å; R154-Q158 VanDerWaalsContact CZ-OE1 3.27Å; R154-Q158 PolarHBondContact O-N 2.98Å; E155-Q158 VanDerWaalsContact O-CB 3.23Å; E155-Q158 WeakPolarHBondContact O-CB 3.41Å; E155-Q158 PolarHBondContact O-N 2.87Å; E155-Q158 VanDerWaalsContact O-N 3.12Å; E156-Q158 VanDerWaalsContact C-N 3.27Å; E156-Q158 PolarHBondContact O-N 2.79Å; Q158-Y160 VanDerWaalsContact C-N 3.34Å; Q158-M161 PolarHBondContact O-N 3.25Å; Q158-K162 WeakPolarHBondContact O-CB 3.39Å; Q158-K162 PolarHBondContact O-N 3.11Å
159F96.6Very high95.6Very high120 Ų12079.3 Ų79.353%0.52638%0.378SS..Hα-helixtrans-65-38.6176.2-68.3-74.1000112E155 E156 F157 K162 K163E155-F159 HydrophobicContact CG-CE2 4.37Å; E155-F159 WeakPolarHBondContact O-CD2 3.42Å; E155-F159 PolarHBondContact O-N 2.9Å; E156-F159 WeakPolarHBondContact O-CB 3.25Å; E156-F159 PolarHBondContact O-N 3.19Å; E156-F159 VanDerWaalsContact O-N 3.14Å; F157-F159 VanDerWaalsContact C-N 3.34Å; F159-K162 PolarHBondContact O-N 3.27Å; F159-K163 WeakPolarHBondContact O-CG 3.17Å; F159-K163 PolarHBondContact O-N 2.99Å
160Y96.8Very high95Very high79 Ų7974.6 Ų74.631%0.3136%0.363SS..Hα-helixtrans-59.5-48.7172.7171.9-114.1000111.7E156 F157 Q158 K162 K163 L164 P194 R195E156-Y160 PolarHBondContact O-N 3.04Å; E156-Y160 VanDerWaalsContact O-N 3.13Å; F157-Y160 HydrophobicContact CD2-CD1 4.15Å; F157-Y160 HydrophobicContact CE1-CD1 4.41Å; F157-Y160 AromaticContact CE2-CD1 3.75Å; F157-Y160 HydrophobicContact CE2-CD1 3.75Å; F157-Y160 HydrophobicContact CE2-CE1 4.17Å; F157-Y160 AromaticContact CZ-CD1 3.9Å; F157-Y160 HydrophobicContact CZ-CD1 3.9Å; F157-Y160 HydrophobicContact CZ-CE1 4.13Å; F157-Y160 WeakPolarHBondContact O-CB 3.11Å; F157-Y160 PolarHBondContact O-N 3.33Å; Q158-Y160 VanDerWaalsContact C-N 3.34Å; Y160-K162 VanDerWaalsContact C-N 3.32Å; Y160-K162 PolarHBondContact O-N 2.98Å; Y160-K163 PolarHBondContact O-N 3.12Å; Y160-L164 PolarHBondContact O-N 2.75Å; Y160-P194 HydrophobicContact CD1-CB 4.19Å; Y160-P194 HydrophobicContact CE1-CB 3.71Å; Y160-R195 PolarHBondContact OH-O 3Å
161M96.9Very high94Very high0 Ų077.1 Ų77.10%038%0.382CS..Hα-helixtrans-62.1-37.8176.7-73.7-172-68.400112.9W82 Y86 R154 F157 Q158 L164 N165 F191 P194W82-M161 HydrophobicContact CD2-SD 4.3Å; W82-M161 HydrophobicContact CE3-CE 4.16Å; W82-M161 HydrophobicContact CE3-SD 3.6Å; W82-M161 VanDerWaalsContact CE3-SD 3.6Å; W82-M161 HydrophobicContact CZ3-CE 4.23Å; W82-M161 HydrophobicContact CZ3-SD 4.13Å; Y86-M161 HydrophobicContact CD2-CB 3.72Å; Y86-M161 HydrophobicContact CD2-CE 4.25Å; Y86-M161 HydrophobicContact CD2-SD 4.49Å; Y86-M161 HydrophobicContact CE2-CB 4.07Å; R154-M161 VanDerWaalsContact NH1-CE 3.31Å; R154-M161 VanDerWaalsContact NH2-CE 3.35Å; F157-M161 HydrophobicContact CD1-CE 3.87Å; F157-M161 HydrophobicContact CD1-CG 4.11Å; F157-M161 HydrophobicContact CD1-SD 4.13Å; F157-M161 HydrophobicContact CE1-CE 4.42Å; F157-M161 HydrophobicContact CE1-CG 4.04Å; F157-M161 HydrophobicContact CE1-SD 4.08Å; F157-M161 WeakPolarHBondContact O-CG 2.99Å; F157-M161 PolarHBondContact O-N 2.93Å; Q158-M161 PolarHBondContact O-N 3.25Å; M161-L164 PolarHBondContact O-N 3.03Å; M161-N165 WeakPolarHBondContact O-CB 3.23Å; M161-N165 PolarHBondContact O-N 3.44Å; M161-N165 PolarHBondContact O-ND2 2.97Å; M161-N165 VanDerWaalsContact O-ND2 3.11Å; M161-F191 HydrophobicContact SD-CZ 4.27Å; M161-P194 HydrophobicContact CG-CB 3.94Å; M161-P194 HydrophobicContact CG-CG 3.97Å; M161-P194 HydrophobicContact SD-CG 3.9Å
162K96.2Very high92.7Very high124 Ų12474 Ų7454%0.53937%0.373SS..Hα-helixtrans-63.6-42.3175.3-175.8174-179.5177.90112Y86 Q158 F159 Y160 L164 N165 P166Y86-K162 HydrophobicContact CE2-CB 4.12Å; Q158-K162 WeakPolarHBondContact O-CB 3.39Å; Q158-K162 PolarHBondContact O-N 3.11Å; F159-K162 PolarHBondContact O-N 3.27Å; Y160-K162 VanDerWaalsContact C-N 3.32Å; Y160-K162 PolarHBondContact O-N 2.98Å; K162-L164 VanDerWaalsContact C-N 3.29Å; K162-L164 PolarHBondContact O-N 3.02Å; K162-N165 CarbonylContact O-C 3.2Å; K162-N165 PolarHBondContact O-N 3.49Å; K162-P166 WeakPolarHBondContact O-CA 3.09Å
163K96.3Very high91.3Very high176 Ų17678.4 Ų78.477%0.76540%0.398SS*.Hα-helixtrans-63.2-37.1174.7-72.9177.5-179-179.60112F159 Y160 N165F159-K163 WeakPolarHBondContact O-CG 3.17Å; F159-K163 PolarHBondContact O-N 2.99Å; Y160-K163 PolarHBondContact O-N 3.12Å; K163-N165 VanDerWaalsContact C-N 3.31Å
164L96.1Very high90.1Very high43 Ų4372.5 Ų72.523%0.22538%0.383CS..Hα-helixtrans-69.9-31.4177.1-175.562.3000112Y160 M161 K162 P166 R192 P194Y160-L164 PolarHBondContact O-N 2.75Å; M161-L164 PolarHBondContact O-N 3.03Å; K162-L164 VanDerWaalsContact C-N 3.29Å; K162-L164 PolarHBondContact O-N 3.02Å; L164-P166 VanDerWaalsContact C-CD 3.47Å; L164-P166 WeakPolarHBondContact O-CD 3.49Å; L164-R192 HydrophobicContact CD1-CB 4.1Å; L164-R192 HydrophobicContact CD2-CB 3.89Å; L164-R192 VanDerWaalsContact CD2-O 3.31Å; L164-R192 WeakPolarHBondContact CD2-O 3.46Å; L164-R192 HydrophobicContact CG-CB 3.67Å; L164-R192 WeakPolarHBondContact O-CD 3.34Å; L164-R192 PolarHBondContact O-NH1 3.12Å; L164-P194 HydrophobicContact CD2-CB 4.38Å
165N96.2Very high89.2Confident6 Ų673.6 Ų73.63%0.03239%0.389CS..SBendtrans-125.359.5-173.3-65.1-73.6000112.8M161 K162 K163 S167 W168 F191 R192M161-N165 WeakPolarHBondContact O-CB 3.23Å; M161-N165 PolarHBondContact O-N 3.44Å; M161-N165 PolarHBondContact O-ND2 2.97Å; M161-N165 VanDerWaalsContact O-ND2 3.11Å; K162-N165 CarbonylContact O-C 3.2Å; K162-N165 PolarHBondContact O-N 3.49Å; K163-N165 VanDerWaalsContact C-N 3.31Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 2.97Å; N165-W168 HydrophobicContact CB-CB 3.81Å; N165-W168 PolarHBondContact O-N 2.7Å; N165-F191 HydrophobicContact CB-CD2 4.37Å; N165-F191 HydrophobicContact CB-CE2 4.27Å; N165-R192 PolarHBondContact ND2-O 3.5Å; N165-R192 VanDerWaalsContact ND2-O 3.08Å; N165-R192 WeakPolarHBondContact OD1-CB 3.33Å; N165-R192 PolarHBondContact OD1-N 2.92Å
166P93.3Very high88.4Confident99 Ų9969.1 Ų69.164%0.64337%0.368SS*.THydrogen-bonded Turntrans-64.5-31.6-16725.3-35.3000114.3K162 L164K162-P166 WeakPolarHBondContact O-CA 3.09Å; L164-P166 VanDerWaalsContact C-CD 3.47Å; L164-P166 WeakPolarHBondContact O-CD 3.49Å
167S90.2Very high87.4Confident113 Ų11364.1 Ų64.179%0.7935%0.345SS*.THydrogen-bonded Turntrans-101.92.4-178.6-50.10000113.1N165N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 2.97Å
168W90.4Very high86.6Confident20 Ų2065.6 Ų65.68%0.07635%0.353CS..  trans-86.8123.2-175-163.892.9000110.5A83 Y86 V87 N165 A170 L183 V187 T190 F191A83-W168 HydrophobicContact CB-CH2 3.86Å; A83-W168 HydrophobicContact CB-CZ2 3.84Å; Y86-W168 AromaticContact CD1-CE3 3.81Å; Y86-W168 HydrophobicContact CD1-CE3 3.81Å; Y86-W168 AromaticContact CD1-CZ3 3.65Å; Y86-W168 HydrophobicContact CD1-CZ3 3.65Å; Y86-W168 AromaticContact CE1-CE3 3.86Å; Y86-W168 HydrophobicContact CE1-CE3 3.86Å; Y86-W168 HydrophobicContact CE1-CZ3 4.1Å; V87-W168 HydrophobicContact CG2-CH2 3.58Å; V87-W168 HydrophobicContact CG2-CZ3 3.41Å; V87-W168 VanDerWaalsContact CG2-CZ3 3.41Å; N165-W168 HydrophobicContact CB-CB 3.81Å; N165-W168 PolarHBondContact O-N 2.7Å; W168-A170 HydrophobicContact CH2-CB 3.5Å; W168-A170 VanDerWaalsContact CH2-CB 3.5Å; W168-A170 HydrophobicContact CZ2-CB 4.04Å; W168-A170 HydrophobicContact CZ3-CB 3.78Å; W168-L183 HydrophobicContact CH2-CD1 4.06Å; W168-L183 HydrophobicContact CZ2-CD1 4.45Å; W168-V187 HydrophobicContact CZ2-CG1 3.83Å; W168-V187 PolarHBondContact NE1-O 3.02Å; W168-T190 PolarHBondContact NE1-OG1 3.15Å; W168-F191 HydrophobicContact CD2-CB 4.45Å; W168-F191 AromaticContact CD2-CD2 3.57Å; W168-F191 HydrophobicContact CD2-CD2 3.57Å; W168-F191 HydrophobicContact CD2-CE2 4.36Å; W168-F191 HydrophobicContact CD2-CG 4.49Å; W168-F191 AromaticContact CE2-CD2 3.75Å; W168-F191 AromaticContact CE3-CD2 3.78Å; W168-F191 HydrophobicContact CE3-CD2 3.78Å; W168-F191 HydrophobicContact CE3-CE2 4.15Å; W168-F191 AromaticContact CG-CD2 3.95Å; W168-F191 HydrophobicContact CG-CD2 3.95Å; W168-F191 HydrophobicContact CH2-CD2 4.28Å; W168-F191 HydrophobicContact CZ2-CB 4.24Å; W168-F191 HydrophobicContact CZ2-CD2 4.09Å; W168-F191 HydrophobicContact CZ3-CD2 4.15Å; W168-F191 HydrophobicContact CZ3-CE2 4.4Å
169T84Confident85.5Confident123 Ų12364.8 Ų64.876%0.75535%0.351SS*.  trans-135.9144.1176.262.20000109.1
170A84.6Confident84.6Confident31 Ų3159.4 Ų59.426%0.25633%0.327SS..  trans-153.3156.7171.100000108.5V87 W168 L183 V187V87-A170 WeakPolarHBondContact CG1-O 3.19Å; V87-A170 HydrophobicContact CG2-CB 3.8Å; W168-A170 HydrophobicContact CH2-CB 3.5Å; W168-A170 VanDerWaalsContact CH2-CB 3.5Å; W168-A170 HydrophobicContact CZ2-CB 4.04Å; W168-A170 HydrophobicContact CZ3-CB 3.78Å; A170-L183 HydrophobicContact CB-CD2 4.11Å; A170-V187 HydrophobicContact CB-CG1 3.88Å
171M76.1Confident83.6Confident158 Ų15855.6 Ų55.678%0.77831%0.313SS*.  trans-105.2134.4174.1-70.7178.965.700109.3
172A71.7Confident82.5Confident38 Ų3857.1 Ų57.131%0.31432%0.321SS..  trans-85.5141.5169.500000109.9V87 V181V87-A172 HydrophobicContact CG1-CB 3.58Å; A172-V181 HydrophobicContact CB-CB 3.74Å; A172-V181 HydrophobicContact CB-CG1 3.54Å; A172-V181 HydrophobicContact CB-CG2 3.99Å
173L68.8Low81.4Confident121 Ų12152.1 Ų52.163%0.63430%0.3SS*.SBendtrans-85.9-40.8176-64.8171.3000112
174A72.3Confident80.2Confident36 Ų3650.9 Ų50.930%0.29829%0.291SS..  trans-158.5151.1-179.300000110.4W60 V181W60-A174 HydrophobicContact CE3-CB 4.46Å; W60-A174 HydrophobicContact CH2-CB 3.83Å; W60-A174 HydrophobicContact CZ3-CB 3.81Å; A174-V181 WeakPolarHBondContact O-CA 3.29Å; A174-V181 WeakPolarHBondContact O-CB 3.14Å; A174-V181 VanDerWaalsContact O-CG1 3.29Å; A174-V181 WeakPolarHBondContact O-CG1 3.42Å
175I78.2Confident78.9Confident26 Ų2654.2 Ų54.213%0.13332%0.315CS..BIsolated β-bridgetrans-100.2139.9-178.4-66.7161.6000110.1P48 H91 F92 D180 V181P48-I175 WeakPolarHBondContact CD-O 3.33Å; P48-I175 WeakPolarHBondContact CG-O 3.41Å; H91-I175 HydrophobicContact CB-CD1 3.47Å; H91-I175 VanDerWaalsContact CB-CD1 3.47Å; H91-I175 WeakPolarHBondContact CD2-CD1 3.22Å; F92-I175 HydrophobicContact CD2-CG2 4.18Å; I175-D180 CarbonylContact C-O 3.5Å; I175-V181 HydrophobicContact CB-CG1 4.36Å; I175-V181 HydrophobicContact CG1-CG1 3.69Å
176A81.2Confident78Confident0 Ų059 Ų590%034%0.337CS..  trans-86.3165.2176.200000112D178 G179 D180A176-D178 VanDerWaalsContact C-N 3.25Å; A176-D178 WeakPolarHBondContact CB-OD1 3.48Å; A176-D178 PolarHBondContact O-N 3.01Å; A176-G179 PolarHBondContact O-N 3.31Å; A176-D180 HydrophobicContact CB-CB 3.76Å; A176-D180 WeakPolarHBondContact CB-O 3.47Å; A176-D180 PolarHBondContact N-O 3.34Å
177P76.1Confident77.4Confident6 Ų656.5 Ų56.54%0.03932%0.32CS..THydrogen-bonded Turntrans-61.9-30177.6-18.629.8000114.3A39 P48 Y50 R57 G179A39-P177 HydrophobicContact CB-CB 4.08Å; P48-P177 VanDerWaalsContact O-CB 3.24Å; P48-P177 WeakPolarHBondContact O-CB 3.11Å; P48-P177 WeakPolarHBondContact O-CG 3.29Å; Y50-P177 HydrophobicContact CD1-CG 3.88Å; Y50-P177 HydrophobicContact CD2-CB 3.9Å; Y50-P177 HydrophobicContact CD2-CG 3.74Å; Y50-P177 HydrophobicContact CE1-CB 4.27Å; Y50-P177 HydrophobicContact CE1-CG 3.81Å; Y50-P177 HydrophobicContact CE2-CB 3.44Å; Y50-P177 VanDerWaalsContact CE2-CB 3.44Å; Y50-P177 HydrophobicContact CE2-CG 3.68Å; Y50-P177 HydrophobicContact CG-CB 4.49Å; Y50-P177 HydrophobicContact CG-CG 3.84Å; R57-P177 HydrophobicContact CB-CG 4.48Å; P177-G179 VanDerWaalsContact C-N 3.3Å
178D80.2Confident77Confident36 Ų3652.4 Ų52.419%0.19329%0.289CS..THydrogen-bonded Turntrans-884.3175.559.5-7.6000113.3V121 A176 D180V121-D178 HydrophobicContact CG2-CB 4.33Å; A176-D178 VanDerWaalsContact C-N 3.25Å; A176-D178 WeakPolarHBondContact CB-OD1 3.48Å; A176-D178 PolarHBondContact O-N 3.01Å; D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 VanDerWaalsContact OD1-CB 3.29Å; D178-D180 WeakPolarHBondContact OD1-CB 3.49Å; D178-D180 PolarHBondContact OD1-N 3.35Å; D178-D180 VanDerWaalsContact OD1-N 3.11Å
179G74.3Confident76.9Confident6 Ų658.6 Ų58.66%0.06231%0.312CS..SBendtrans81.26.4-175.100000114.2S88 F92 A176 P177S88-G179 WeakPolarHBondContact CB-O 3.44Å; S88-G179 PolarHBondContact OG-O 2.74Å; F92-G179 VanDerWaalsContact CD2-CA 3.48Å; A176-G179 PolarHBondContact O-N 3.31Å; P177-G179 VanDerWaalsContact C-N 3.3Å
180D76.4Confident77.2Confident6 Ų657.9 Ų57.93%0.03231%0.308CS..  trans-66.9163169.9-164.730.5000111.7R57 R84 I175 A176 D178R57-D180 IonicContact NH2-OD2 3.02Å; R57-D180 PolarHBondContact NH2-OD2 3.05Å; R84-D180 WeakPolarHBondContact CB-OD1 2.95Å; R84-D180 WeakPolarHBondContact CD-OD1 3.42Å; R84-D180 IonicContact NH1-OD2 3.36Å; R84-D180 PolarHBondContact NH1-OD2 2.83Å; I175-D180 CarbonylContact C-O 3.5Å; A176-D180 HydrophobicContact CB-CB 3.76Å; A176-D180 WeakPolarHBondContact CB-O 3.47Å; A176-D180 PolarHBondContact N-O 3.34Å; D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 VanDerWaalsContact OD1-CB 3.29Å; D178-D180 WeakPolarHBondContact OD1-CB 3.49Å; D178-D180 PolarHBondContact OD1-N 3.35Å; D178-D180 VanDerWaalsContact OD1-N 3.11Å
181V75.6Confident77.7Confident0 Ų056.4 Ų56.40%030%0.295CS..BIsolated β-bridgetrans-143.1155.9175-69.60000110.4R84 V87 A172 A174 I175 L183R84-V181 HydrophobicContact CB-CG2 3.75Å; R84-V181 WeakPolarHBondContact CD-O 3.25Å; R84-V181 HydrophobicContact CG-CG2 4.2Å; R84-V181 WeakPolarHBondContact CG-O 3.28Å; R84-V181 PolarHBondContact NE-O 2.77Å; R84-V181 WeakPolarHBondContact O-CG2 3.4Å; V87-V181 HydrophobicContact CB-CG2 4.35Å; A172-V181 HydrophobicContact CB-CB 3.74Å; A172-V181 HydrophobicContact CB-CG1 3.54Å; A172-V181 HydrophobicContact CB-CG2 3.99Å; A174-V181 WeakPolarHBondContact O-CA 3.29Å; A174-V181 WeakPolarHBondContact O-CB 3.14Å; A174-V181 VanDerWaalsContact O-CG1 3.29Å; A174-V181 WeakPolarHBondContact O-CG1 3.42Å; I175-V181 HydrophobicContact CB-CG1 4.36Å; I175-V181 HydrophobicContact CG1-CG1 3.69Å; V181-L183 HydrophobicContact CG2-CD2 4.22Å; V181-L183 HydrophobicContact CG2-CG 4.43Å
182D74.2Confident78.6Confident32 Ų3256 Ų5617%0.17129%0.285CS..  trans-86.2127.2173-59.913.7000107.7R57 S61 L63R57-D182 IonicContact CZ-OD1 3.03Å; R57-D182 IonicContact NH1-OD1 2.77Å; R57-D182 PolarHBondContact NH1-OD1 2.87Å; S61-D182 WeakPolarHBondContact CB-OD2 3.33Å; S61-D182 PolarHBondContact OG-OD2 3.48Å; L63-D182 HydrophobicContact CD1-CB 3.96Å; L63-D182 VanDerWaalsContact CD1-OD1 3.23Å; L63-D182 WeakPolarHBondContact CD1-OD1 3.45Å
183L73.4Confident79.7Confident18 Ų1855.1 Ų55.19%0.09428%0.275CS..  trans-109.9154.2173-64.6178.5000109.4A83 R84 V87 W168 A170 V181A83-L183 HydrophobicContact CB-CD1 4.04Å; R84-L183 HydrophobicContact CB-CD1 4.46Å; R84-L183 HydrophobicContact CG-CD1 3.72Å; R84-L183 HydrophobicContact CG-CG 3.82Å; V87-L183 HydrophobicContact CB-CD2 4.33Å; V87-L183 HydrophobicContact CG1-CD2 4.35Å; V87-L183 HydrophobicContact CG2-CD2 3.99Å; W168-L183 HydrophobicContact CH2-CD1 4.06Å; W168-L183 HydrophobicContact CZ2-CD1 4.45Å; A170-L183 HydrophobicContact CB-CD2 4.11Å; V181-L183 HydrophobicContact CG2-CD2 4.22Å; V181-L183 HydrophobicContact CG2-CG 4.43Å
184Y70.2Confident81.1Confident151 Ų15149.4 Ų49.459%0.59224%0.244SC*.  trans-55.5140.6167.1-69.8-71.8000110.1V187Y184-V187 WeakPolarHBondContact O-CG2 3.41Å; Y184-V187 PolarHBondContact O-N 3.02Å
185P70.2Confident82.3Confident113 Ų11351.3 Ų51.373%0.73424%0.244SC*.THydrogen-bonded Turntrans-51.7144.1-179.8-26.934.4000112.4V187P185-V187 PolarHBondContact O-N 3.1Å
186E77.3Confident83.3Confident105 Ų10550.2 Ų50.249%0.49124%0.239SC..THydrogen-bonded Turntrans69.2-8172.2-43.5-170.4156.600116.6E188 R189E186-E188 VanDerWaalsContact C-OE2 3.29Å; E186-E188 VanDerWaalsContact CA-OE2 3.31Å; E186-E188 WeakPolarHBondContact CA-OE2 3.48Å; E186-E188 PolarHBondContact N-OE2 3.39Å; E186-E188 PolarHBondContact O-N 3.3Å; E186-R189 HydrophobicContact CB-CG 4.3Å; E186-R189 WeakPolarHBondContact O-CB 3.24Å; E186-R189 WeakPolarHBondContact O-CG 3.42Å; E186-R189 PolarHBondContact O-N 3.21Å; E186-R189 IonicContact OE1-CZ 3.72Å; E186-R189 IonicContact OE1-NH1 2.73Å; E186-R189 PolarHBondContact OE1-NH1 3.03Å; E186-R189 VanDerWaalsContact OE1-NH1 3.13Å; E186-R189 IonicContact OE1-NH2 2.77Å; E186-R189 PolarHBondContact OE1-NH2 3.37Å; E186-R189 IonicContact OE2-CZ 3.46Å; E186-R189 IonicContact OE2-NH1 3.17Å; E186-R189 PolarHBondContact OE2-NH1 3.02Å; E186-R189 IonicContact OE2-NH2 3.63Å
187V79.1Confident83.9Confident47 Ų4754.6 Ų54.629%0.28526%0.262SS..G310 helixtrans-59.6-29.1176.9175.10000111.7W168 A170 Y184 P185 R189W168-V187 HydrophobicContact CZ2-CG1 3.83Å; W168-V187 PolarHBondContact NE1-O 3.02Å; A170-V187 HydrophobicContact CB-CG1 3.88Å; Y184-V187 WeakPolarHBondContact O-CG2 3.41Å; Y184-V187 PolarHBondContact O-N 3.02Å; P185-V187 PolarHBondContact O-N 3.1Å; V187-R189 VanDerWaalsContact C-N 3.29Å; V187-R189 PolarHBondContact O-N 3.28Å
188E83.5Confident84.9Confident27 Ų2761.7 Ų61.713%0.12629%0.293CS..G310 helixtrans-72-17.217781.4-68.6166.500113.7R79 L80 A83 E186 T190 F191R79-E188 WeakPolarHBondContact CD-O 3.43Å; R79-E188 WeakPolarHBondContact CG-O 3.16Å; L80-E188 HydrophobicContact CB-CB 4.49Å; L80-E188 HydrophobicContact CB-CG 3.9Å; L80-E188 HydrophobicContact CD1-CB 3.97Å; L80-E188 HydrophobicContact CD1-CG 3.75Å; L80-E188 HydrophobicContact CG-CG 4.4Å; A83-E188 HydrophobicContact CB-CB 3.74Å; E186-E188 VanDerWaalsContact C-OE2 3.29Å; E186-E188 VanDerWaalsContact CA-OE2 3.31Å; E186-E188 WeakPolarHBondContact CA-OE2 3.48Å; E186-E188 PolarHBondContact N-OE2 3.39Å; E186-E188 PolarHBondContact O-N 3.3Å; E188-T190 PolarHBondContact O-N 2.82Å; E188-T190 VanDerWaalsContact O-N 3.15Å; E188-F191 WeakPolarHBondContact O-CA 3.2Å; E188-F191 WeakPolarHBondContact O-CB 3.42Å; E188-F191 PolarHBondContact O-N 2.96Å
189R87.5Confident85.7Confident151 Ų15162.9 Ų62.957%0.5730%0.303SS*.G310 helixtrans-58.4-34.9-172.7-73.3-175.6176.8159.65.4112.8E186 V187E186-R189 HydrophobicContact CB-CG 4.3Å; E186-R189 WeakPolarHBondContact O-CB 3.24Å; E186-R189 WeakPolarHBondContact O-CG 3.42Å; E186-R189 PolarHBondContact O-N 3.21Å; E186-R189 IonicContact OE1-CZ 3.72Å; E186-R189 IonicContact OE1-NH1 2.73Å; E186-R189 PolarHBondContact OE1-NH1 3.03Å; E186-R189 VanDerWaalsContact OE1-NH1 3.13Å; E186-R189 IonicContact OE1-NH2 2.77Å; E186-R189 PolarHBondContact OE1-NH2 3.37Å; E186-R189 IonicContact OE2-CZ 3.46Å; E186-R189 IonicContact OE2-NH1 3.17Å; E186-R189 PolarHBondContact OE2-NH1 3.02Å; E186-R189 IonicContact OE2-NH2 3.63Å; V187-R189 VanDerWaalsContact C-N 3.29Å; V187-R189 PolarHBondContact O-N 3.28Å
190T90.3Very high86.8Confident107 Ų10764.8 Ų64.866%0.65632%0.323SS*.G310 helixtrans-86.4-10.5177.458.70000113.1W168 E188 R192W168-T190 PolarHBondContact NE1-OG1 3.15Å; E188-T190 PolarHBondContact O-N 2.82Å; E188-T190 VanDerWaalsContact O-N 3.15Å; T190-R192 PolarHBondContact O-N 3.42Å
191F94.6Very high87.9Confident0 Ų065.6 Ų65.60%033%0.33CS..SBendtrans-69.2127.6173.2-169.1-94.7000109.4R79 W82 A83 Y86 M161 N165 W168 E188R79-F191 WeakPolarHBondContact CD-O 3.45Å; R79-F191 HydrophobicContact CG-CB 4.2Å; R79-F191 HydrophobicContact CG-CD1 4.31Å; R79-F191 WeakPolarHBondContact CG-O 3.27Å; R79-F191 PolarHBondContact NH1-O 3.46Å; W82-F191 HydrophobicContact CB-CE1 3.74Å; W82-F191 HydrophobicContact CB-CZ 4.46Å; A83-F191 HydrophobicContact CB-CB 3.99Å; A83-F191 HydrophobicContact CB-CD1 3.97Å; A83-F191 HydrophobicContact CB-CD2 4.06Å; A83-F191 HydrophobicContact CB-CE1 4.47Å; A83-F191 HydrophobicContact CB-CG 3.74Å; Y86-F191 AromaticContact CD1-CE2 3.98Å; Y86-F191 HydrophobicContact CD1-CE2 3.98Å; Y86-F191 HydrophobicContact CD2-CE2 4.35Å; Y86-F191 HydrophobicContact CD2-CZ 4.5Å; Y86-F191 AromaticContact CG-CE2 3.81Å; Y86-F191 HydrophobicContact CG-CE2 3.81Å; Y86-F191 HydrophobicContact CG-CZ 4.15Å; M161-F191 HydrophobicContact SD-CZ 4.27Å; N165-F191 HydrophobicContact CB-CD2 4.37Å; N165-F191 HydrophobicContact CB-CE2 4.27Å; W168-F191 HydrophobicContact CD2-CB 4.45Å; W168-F191 AromaticContact CD2-CD2 3.57Å; W168-F191 HydrophobicContact CD2-CD2 3.57Å; W168-F191 HydrophobicContact CD2-CE2 4.36Å; W168-F191 HydrophobicContact CD2-CG 4.49Å; W168-F191 AromaticContact CE2-CD2 3.75Å; W168-F191 AromaticContact CE3-CD2 3.78Å; W168-F191 HydrophobicContact CE3-CD2 3.78Å; W168-F191 HydrophobicContact CE3-CE2 4.15Å; W168-F191 AromaticContact CG-CD2 3.95Å; W168-F191 HydrophobicContact CG-CD2 3.95Å; W168-F191 HydrophobicContact CH2-CD2 4.28Å; W168-F191 HydrophobicContact CZ2-CB 4.24Å; W168-F191 HydrophobicContact CZ2-CD2 4.09Å; W168-F191 HydrophobicContact CZ3-CD2 4.15Å; W168-F191 HydrophobicContact CZ3-CE2 4.4Å; E188-F191 WeakPolarHBondContact O-CA 3.2Å; E188-F191 WeakPolarHBondContact O-CB 3.42Å; E188-F191 PolarHBondContact O-N 2.96Å
192R95.8Very high88.9Confident151 Ų15167.2 Ų67.257%0.5734%0.339SS*.PPolyproline II helixtrans-85.9118.4174.8-67.4177.1-178.6168.6-4.3108.9L164 N165 T190L164-R192 HydrophobicContact CD1-CB 4.1Å; L164-R192 HydrophobicContact CD2-CB 3.89Å; L164-R192 VanDerWaalsContact CD2-O 3.31Å; L164-R192 WeakPolarHBondContact CD2-O 3.46Å; L164-R192 HydrophobicContact CG-CB 3.67Å; L164-R192 WeakPolarHBondContact O-CD 3.34Å; L164-R192 PolarHBondContact O-NH1 3.12Å; N165-R192 PolarHBondContact ND2-O 3.5Å; N165-R192 VanDerWaalsContact ND2-O 3.08Å; N165-R192 WeakPolarHBondContact OD1-CB 3.33Å; N165-R192 PolarHBondContact OD1-N 2.92Å; T190-R192 PolarHBondContact O-N 3.42Å
193E95.4Very high90.1Very high19 Ų1965.7 Ų65.79%0.08933%0.331CS..PPolyproline II helixtrans-60.2124.9176.7-172.6-161.915200110.3R78 R195R78-E193 HydrophobicContact CB-CG 4.11Å; R78-E193 VanDerWaalsContact CD-OE1 3.31Å; R78-E193 WeakPolarHBondContact CD-OE1 3.49Å; R78-E193 IonicContact CZ-OE1 2.75Å; R78-E193 IonicContact CZ-OE2 3.71Å; R78-E193 IonicContact NE-OE1 3.71Å; R78-E193 PolarHBondContact NE-OE1 2.91Å; R78-E193 IonicContact NE-OE2 3.37Å; R78-E193 PolarHBondContact NE-OE2 3.4Å; R78-E193 IonicContact NH2-OE1 2.79Å; R78-E193 IonicContact NH2-OE2 2.75Å; E193-R195 IonicContact OE1-CZ 3.83Å; E193-R195 IonicContact OE1-NE 3.03Å; E193-R195 PolarHBondContact OE1-NE 3.18Å; E193-R195 VanDerWaalsContact OE1-NE 3.12Å; E193-R195 IonicContact OE1-NH1 3.95Å; E193-R195 IonicContact OE1-NH2 3.98Å; E193-R195 PolarHBondContact OE1-NH2 2.79Å; E193-R195 IonicContact OE2-CZ 2.76Å; E193-R195 IonicContact OE2-NE 3.25Å; E193-R195 IonicContact OE2-NH2 3.89Å; E193-R195 PolarHBondContact OE2-NH2 2.93Å
194P97.4Very high91.2Very high0 Ų065 Ų650%033%0.327CS..PPolyproline II helixtrans-67.7145175.130.5-36.4000111.1W82 F157 Y160 M161 L164 V203W82-P194 HydrophobicContact CB-CG 4.25Å; W82-P194 HydrophobicContact CD2-CG 3.7Å; W82-P194 HydrophobicContact CE3-CG 4.27Å; W82-P194 HydrophobicContact CG-CG 3.68Å; F157-P194 HydrophobicContact CE1-CB 3.74Å; F157-P194 HydrophobicContact CE1-CG 3.77Å; F157-P194 HydrophobicContact CZ-CB 3.67Å; F157-P194 HydrophobicContact CZ-CG 4.1Å; Y160-P194 HydrophobicContact CD1-CB 4.19Å; Y160-P194 HydrophobicContact CE1-CB 3.71Å; M161-P194 HydrophobicContact CG-CB 3.94Å; M161-P194 HydrophobicContact CG-CG 3.97Å; M161-P194 HydrophobicContact SD-CG 3.9Å; L164-P194 HydrophobicContact CD2-CB 4.38Å; P194-V203 HydrophobicContact CB-CG2 4.33Å; P194-V203 HydrophobicContact CG-CG2 4.23Å; P194-V203 VanDerWaalsContact O-CG2 3.29Å; P194-V203 WeakPolarHBondContact O-CG2 3.42Å
195R97.8Very high92.5Very high76 Ų7658 Ų5829%0.28730%0.3SS..BIsolated β-bridgetrans-127.5164.1177.1-64.6-65.3179.7152.3-6.1110.1Y160 E193 D197Y160-R195 PolarHBondContact OH-O 3Å; E193-R195 IonicContact OE1-CZ 3.83Å; E193-R195 IonicContact OE1-NE 3.03Å; E193-R195 PolarHBondContact OE1-NE 3.18Å; E193-R195 VanDerWaalsContact OE1-NE 3.12Å; E193-R195 IonicContact OE1-NH1 3.95Å; E193-R195 IonicContact OE1-NH2 3.98Å; E193-R195 PolarHBondContact OE1-NH2 2.79Å; E193-R195 IonicContact OE2-CZ 2.76Å; E193-R195 IonicContact OE2-NE 3.25Å; E193-R195 IonicContact OE2-NH2 3.89Å; E193-R195 PolarHBondContact OE2-NH2 2.93Å; R195-D197 PolarHBondContact O-N 3.3Å
196C98.1Very high93.8Very high4 Ų453.7 Ų53.73%0.02727%0.271CS..  trans-64.2120.1174178.40000109.9C145 W152 K198 C199 G200 A201 V203C145-C196 HydrophobicContact CB-CB 4.16Å; W152-C196 HydrophobicContact CH2-CB 4.35Å; C196-K198 PolarHBondContact O-N 3.26Å; C196-K198 PolarHBondContact SG-N 3.41Å; C196-K198 VanDerWaalsContact SG-N 3.44Å; C196-C199 PolarHBondContact O-N 2.71Å; C196-C199 PolarHBondContact SG-SG 3.21Å; C196-G200 VanDerWaalsContact O-CA 3.28Å; C196-G200 WeakPolarHBondContact O-CA 3.31Å; C196-G200 PolarHBondContact O-N 2.97Å; C196-A201 PolarHBondContact N-O 3.47Å; C196-V203 HydrophobicContact CB-CG1 3.89Å
197D95Very high94.7Very high92 Ų9249.6 Ų49.649%0.49225%0.252SS..THydrogen-bonded Turntrans-62.6-19.2175.965.8-15.1000114.2R150 W152 R195R150-D197 IonicContact CZ-OD1 3.78Å; R150-D197 IonicContact CZ-OD2 3.41Å; R150-D197 IonicContact NH1-OD1 2.78Å; R150-D197 PolarHBondContact NH1-OD1 3.42Å; R150-D197 IonicContact NH1-OD2 3.32Å; R150-D197 PolarHBondContact NH1-OD2 2.76Å; R150-D197 IonicContact NH2-OD2 3.47Å; W152-D197 VanDerWaalsContact CZ2-OD1 3.28Å; W152-D197 WeakPolarHBondContact CZ2-OD1 3.18Å; R195-D197 PolarHBondContact O-N 3.3Å
198K96.2Very high95.5Very high155 Ų15548.4 Ų48.467%0.67424%0.244SC*.THydrogen-bonded Turntrans-90-38.2178.8-177.9177.8178.1-179.40113.5C196C196-K198 PolarHBondContact O-N 3.26Å; C196-K198 PolarHBondContact SG-N 3.41Å; C196-K198 VanDerWaalsContact SG-N 3.44Å
199C97.9Very high96Very high60 Ų6047.9 Ų47.941%0.40524%0.242SC..THydrogen-bonded Turntrans-135.40.7-170.468.90000115.1C196 A201C196-C199 PolarHBondContact O-N 2.71Å; C196-C199 PolarHBondContact SG-SG 3.21Å; C199-A201 PolarHBondContact O-N 3.48Å; C199-A201 VanDerWaalsContact O-N 3.09Å; C199-A201 VanDerWaalsContact SG-CB 3.55Å
200G97.3Very high96.2Very high47 Ų4744.6 Ų44.649%0.48523%0.232SC..  trans71.6-4.3-179.300000115.6C196C196-G200 VanDerWaalsContact O-CA 3.28Å; C196-G200 WeakPolarHBondContact O-CA 3.31Å; C196-G200 PolarHBondContact O-N 2.97Å
201A98.1Very high96.3Very high23 Ų2343 Ų4319%0.1924%0.237CC..  trans-69169.2-177.400000113.7S147 C196 C199S147-A201 VanDerWaalsContact CB-CB 3.5Å; C196-A201 PolarHBondContact N-O 3.47Å; C199-A201 PolarHBondContact O-N 3.48Å; C199-A201 VanDerWaalsContact O-N 3.09Å; C199-A201 VanDerWaalsContact SG-CB 3.55Å
202I98.3Very high96.3Very high34 Ų3445.2 Ų45.217%0.17425%0.247CC..BIsolated β-bridgetrans-61.1136.9174.3-63.3168.5000109.9F71 L146F71-I202 HydrophobicContact CD1-CG2 4.49Å; F71-I202 HydrophobicContact CE1-CG2 3.73Å; F71-I202 HydrophobicContact CZ-CG2 4.47Å; L146-I202 HydrophobicContact CD1-CB 4.15Å; L146-I202 HydrophobicContact CD1-CG2 3.69Å; L146-I202 HydrophobicContact CG-CG2 4.29Å; L146-I202 PolarHBondContact N-O 3.37Å
203V98.4Very high96.3Very high0 Ų043.4 Ų43.40%026%0.256CS..EExtended strand (participates in β ladder)trans-113.9146.1170.4-64.70000109.3F71 W82 V143 I144 C145 W152 F157 P194 C196F71-V203 WeakPolarHBondContact CZ-O 3.37Å; W82-V203 HydrophobicContact CZ2-CB 4.48Å; W82-V203 HydrophobicContact CZ2-CG2 3.93Å; W82-V203 PolarHBondContact NE1-O 2.55Å; V143-V203 HydrophobicContact CG1-CB 4.01Å; V143-V203 HydrophobicContact CG1-CG2 4.49Å; I144-V203 WeakPolarHBondContact O-CA 3.31Å; C145-V203 HydrophobicContact CB-CG1 4.38Å; W152-V203 HydrophobicContact CH2-CG1 4.43Å; W152-V203 HydrophobicContact CZ3-CG1 4.18Å; F157-V203 HydrophobicContact CE1-CG2 4.31Å; F157-V203 HydrophobicContact CZ-CB 4.3Å; F157-V203 HydrophobicContact CZ-CG2 3.65Å; P194-V203 HydrophobicContact CB-CG2 4.33Å; P194-V203 HydrophobicContact CG-CG2 4.23Å; P194-V203 VanDerWaalsContact O-CG2 3.29Å; P194-V203 WeakPolarHBondContact O-CG2 3.42Å; C196-V203 HydrophobicContact CB-CG1 3.89Å
204K97.7Very high96.4Very high3 Ų343.5 Ų43.51%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-133.9148.1179.3-166.3178.159.962.90108.5Y68 F71 V143 I144 L146 I207 F209 E212Y68-K204 HydrophobicContact CD2-CD 4.23Å; Y68-K204 HydrophobicContact CE2-CD 4.12Å; F71-K204 HydrophobicContact CD1-CD 4.17Å; F71-K204 HydrophobicContact CD1-CG 4.26Å; F71-K204 HydrophobicContact CE1-CB 3.81Å; F71-K204 HydrophobicContact CE1-CD 4.1Å; F71-K204 HydrophobicContact CE1-CG 3.71Å; F71-K204 HydrophobicContact CZ-CB 4.11Å; F71-K204 HydrophobicContact CZ-CG 3.94Å; V143-K204 WeakPolarHBondContact CA-O 3.5Å; V143-K204 WeakPolarHBondContact CG1-O 3.4Å; I144-K204 PolarHBondContact N-O 3.11Å; I144-K204 PolarHBondContact O-N 3.09Å; L146-K204 HydrophobicContact CD2-CB 3.97Å; L146-K204 HydrophobicContact CG-CB 4.4Å; K204-I207 PolarHBondContact NZ-O 3.48Å; K204-F209 HydrophobicContact CD-CD1 4.48Å; K204-F209 HydrophobicContact CD-CD2 3.98Å; K204-F209 HydrophobicContact CD-CE1 4.38Å; K204-F209 HydrophobicContact CD-CE2 3.86Å; K204-F209 HydrophobicContact CD-CG 4.28Å; K204-F209 HydrophobicContact CD-CZ 4.06Å; K204-F209 HydrophobicContact CG-CE1 4.36Å; K204-F209 HydrophobicContact CG-CE2 3.99Å; K204-F209 HydrophobicContact CG-CZ 3.85Å; K204-E212 WeakPolarHBondContact CE-OE1 3.14Å; K204-E212 WeakPolarHBondContact CE-OE2 3.24Å; K204-E212 IonicContact NZ-OE1 3.12Å; K204-E212 IonicContact NZ-OE2 3.66Å; K204-E212 PolarHBondContact NZ-OE2 3.33Å
205P96.8Very high96.3Very high4 Ų445 Ų453%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-52.5148.6158.926.3-36000109.7H81 I207 F209H81-P205 WeakPolarHBondContact NE2-CG 3.44Å; P205-I207 HydrophobicContact CB-CD1 4Å; P205-I207 HydrophobicContact CB-CG1 4.16Å; P205-I207 HydrophobicContact CG-CD1 4.35Å; P205-I207 PolarHBondContact O-N 2.99Å; P205-F209 HydrophobicContact CG-CE1 3.85Å; P205-F209 HydrophobicContact CG-CZ 3.8Å
206D97.3Very high96.3Very high23 Ų2345.4 Ų45.412%0.12328%0.281CS..EExtended strand (participates in β ladder)trans-76.844.9178.6-169.323000111.6G138 T139 R142 I144G138-D206 CarbonylContact C-O 3.56Å; G138-D206 WeakPolarHBondContact CA-O 3.23Å; T139-D206 HydrophobicContact CG2-CB 4.49Å; T139-D206 PolarHBondContact N-O 2.98Å; T139-D206 CarbonylContact O-C 3.55Å; R142-D206 HydrophobicContact CB-CB 3.82Å; R142-D206 IonicContact CZ-OD2 2.67Å; R142-D206 VanDerWaalsContact CZ-OD2 3.25Å; R142-D206 IonicContact NE-OD2 3.57Å; R142-D206 PolarHBondContact NE-OD2 3.44Å; R142-D206 IonicContact NH2-OD2 3.61Å; R142-D206 PolarHBondContact NH2-OD2 3.04Å; R142-D206 PolarHBondContact O-N 3.37Å; I144-D206 HydrophobicContact CG2-CB 4.42Å
207I96.1Very high96.3Very high18 Ų1851.2 Ų51.29%0.09231%0.307CS..EExtended strand (participates in β ladder)trans-109.1132178.5-63.6168.5000108.8V121 H137 T139 A140 K204 P205 F209V121-I207 HydrophobicContact CB-CD1 4.08Å; V121-I207 HydrophobicContact CB-CG1 3.97Å; V121-I207 HydrophobicContact CG1-CB 4.4Å; V121-I207 HydrophobicContact CG1-CD1 4.31Å; V121-I207 HydrophobicContact CG1-CG1 3.88Å; V121-I207 HydrophobicContact CG1-CG2 3.83Å; V121-I207 HydrophobicContact CG2-CD1 3.92Å; V121-I207 HydrophobicContact CG2-CG1 4.36Å; H137-I207 CarbonylContact O-C 3.4Å; H137-I207 VanDerWaalsContact O-CA 3.31Å; H137-I207 WeakPolarHBondContact O-CA 3.41Å; T139-I207 VanDerWaalsContact C-CG1 3.48Å; T139-I207 WeakPolarHBondContact O-CG1 3.46Å; A140-I207 HydrophobicContact CB-CD1 3.84Å; K204-I207 PolarHBondContact NZ-O 3.48Å; P205-I207 HydrophobicContact CB-CD1 4Å; P205-I207 HydrophobicContact CB-CG1 4.16Å; P205-I207 HydrophobicContact CG-CD1 4.35Å; P205-I207 PolarHBondContact O-N 2.99Å; I207-F209 HydrophobicContact CB-CD1 4.33Å; I207-F209 HydrophobicContact CB-CE1 4.17Å; I207-F209 HydrophobicContact CG2-CD1 4.14Å; I207-F209 HydrophobicContact CG2-CE1 4.32Å; I207-F209 WeakPolarHBondContact O-CD1 3.31Å; I207-F209 PolarHBondContact O-N 3.34Å
208V95.7Very high96.4Very high22 Ų2248.5 Ų48.513%0.13329%0.29CS..  trans-68.9110.8172-177.60000108.6H137 E212 V214H137-V208 PolarHBondContact O-N 3.18Å; V208-E212 WeakPolarHBondContact CA-OE2 3.12Å; V208-E212 HydrophobicContact CG1-CB 3.9Å; V208-E212 HydrophobicContact CG1-CG 4.3Å; V208-V214 HydrophobicContact CG1-CG2 4.12Å; V208-V214 HydrophobicContact CG2-CG2 4.4Å
209F94.1Very high96.5Very high17 Ų1744.4 Ų44.48%0.07528%0.278CS..  trans-75.9163.9177.7-76.95.9000111.6V66 Y68 F71 H81 K204 P205 I207 G211 E212V66-F209 HydrophobicContact CB-CD2 4.42Å; V66-F209 HydrophobicContact CB-CE2 4.41Å; V66-F209 HydrophobicContact CG1-CD2 3.96Å; V66-F209 HydrophobicContact CG1-CE2 3.94Å; Y68-F209 HydrophobicContact CD2-CB 4.45Å; F71-F209 HydrophobicContact CB-CD2 4.09Å; F71-F209 HydrophobicContact CB-CE2 4.05Å; F71-F209 HydrophobicContact CD1-CE2 4.27Å; F71-F209 HydrophobicContact CD2-CD2 4.43Å; F71-F209 AromaticContact CD2-CE2 3.55Å; F71-F209 HydrophobicContact CD2-CE2 3.55Å; F71-F209 HydrophobicContact CD2-CZ 4.41Å; F71-F209 AromaticContact CE2-CE2 4Å; F71-F209 HydrophobicContact CE2-CE2 4Å; F71-F209 HydrophobicContact CE2-CZ 4.47Å; F71-F209 HydrophobicContact CG-CD2 4.19Å; F71-F209 AromaticContact CG-CE2 3.69Å; F71-F209 HydrophobicContact CG-CE2 3.69Å; H81-F209 AromaticContact CE1-CZ 3.52Å; H81-F209 AromaticContact NE2-CZ 3.57Å; K204-F209 HydrophobicContact CD-CD1 4.48Å; K204-F209 HydrophobicContact CD-CD2 3.98Å; K204-F209 HydrophobicContact CD-CE1 4.38Å; K204-F209 HydrophobicContact CD-CE2 3.86Å; K204-F209 HydrophobicContact CD-CG 4.28Å; K204-F209 HydrophobicContact CD-CZ 4.06Å; K204-F209 HydrophobicContact CG-CE1 4.36Å; K204-F209 HydrophobicContact CG-CE2 3.99Å; K204-F209 HydrophobicContact CG-CZ 3.85Å; P205-F209 HydrophobicContact CG-CE1 3.85Å; P205-F209 HydrophobicContact CG-CZ 3.8Å; I207-F209 HydrophobicContact CB-CD1 4.33Å; I207-F209 HydrophobicContact CB-CE1 4.17Å; I207-F209 HydrophobicContact CG2-CD1 4.14Å; I207-F209 HydrophobicContact CG2-CE1 4.32Å; I207-F209 WeakPolarHBondContact O-CD1 3.31Å; I207-F209 PolarHBondContact O-N 3.34Å; F209-G211 PolarHBondContact O-N 2.97Å; F209-E212 HydrophobicContact CB-CB 4.46Å; F209-E212 PolarHBondContact N-OE2 3.34Å; F209-E212 WeakPolarHBondContact O-CB 3.04Å; F209-E212 PolarHBondContact O-N 2.82Å
210F91.3Very high96.5Very high81 Ų8147.5 Ų47.536%0.35529%0.286SS..BIsolated β-bridgetrans-62134.1172.9-75.2-97.5000109.8P65 Q67 Y68 E212P65-F210 HydrophobicContact CB-CD2 3.24Å; P65-F210 HydrophobicContact CB-CE2 3.26Å; P65-F210 HydrophobicContact CB-CG 4.15Å; P65-F210 HydrophobicContact CB-CZ 4.17Å; P65-F210 HydrophobicContact CG-CD2 3.97Å; P65-F210 HydrophobicContact CG-CE2 3.52Å; P65-F210 HydrophobicContact CG-CZ 3.97Å; Q67-F210 CarbonylContact C-O 3.54Å; Q67-F210 WeakPolarHBondContact CA-O 3.09Å; Q67-F210 VanDerWaalsContact NE2-CB 3.34Å; Q67-F210 PolarHBondContact OE1-O 2.92Å; Y68-F210 PolarHBondContact N-O 3.07Å; F210-E212 PolarHBondContact O-N 3.02Å
211G92.7Very high96.6Very high74 Ų7448.4 Ų48.476%0.76328%0.277SS*.THydrogen-bonded Turntrans80.1-4.5-17200000115F209F209-G211 PolarHBondContact O-N 2.97Å
212E95.4Very high96.6Very high47 Ų4747.3 Ų47.322%0.2227%0.268CS..PPolyproline II helixtrans-86.9143.3170-163.9173.6-17200110.3Y68 K204 V208 F209 F210Y68-E212 HydrophobicContact CD1-CB 4.12Å; Y68-E212 HydrophobicContact CD1-CG 4.08Å; Y68-E212 HydrophobicContact CD2-CB 4.15Å; Y68-E212 HydrophobicContact CD2-CG 4.01Å; Y68-E212 HydrophobicContact CE1-CG 4.24Å; Y68-E212 HydrophobicContact CE2-CG 4.2Å; Y68-E212 HydrophobicContact CG-CB 3.78Å; Y68-E212 HydrophobicContact CG-CG 3.96Å; K204-E212 WeakPolarHBondContact CE-OE1 3.14Å; K204-E212 WeakPolarHBondContact CE-OE2 3.24Å; K204-E212 IonicContact NZ-OE1 3.12Å; K204-E212 IonicContact NZ-OE2 3.66Å; K204-E212 PolarHBondContact NZ-OE2 3.33Å; V208-E212 WeakPolarHBondContact CA-OE2 3.12Å; V208-E212 HydrophobicContact CG1-CB 3.9Å; V208-E212 HydrophobicContact CG1-CG 4.3Å; F209-E212 HydrophobicContact CB-CB 4.46Å; F209-E212 PolarHBondContact N-OE2 3.34Å; F209-E212 WeakPolarHBondContact O-CB 3.04Å; F209-E212 PolarHBondContact O-N 2.82Å; F210-E212 PolarHBondContact O-N 3.02Å
213C95.4Very high96.6Very high113 Ų11347.8 Ų47.876%0.76428%0.277SS*.PPolyproline II helixtrans-75.5136.7170.4-69.70000110
214V96.8Very high96.6Very high21 Ų2152.6 Ų52.613%0.12730%0.299CS..PPolyproline II helixtrans-60.6135.3164.6-179.50000107.8L136 V208 R218 V219L136-V214 HydrophobicContact CD1-CG1 4.13Å; L136-V214 WeakPolarHBondContact O-CG1 3.13Å; V208-V214 HydrophobicContact CG1-CG2 4.12Å; V208-V214 HydrophobicContact CG2-CG2 4.4Å; V214-R218 HydrophobicContact CG1-CB 4.32Å; V214-R218 HydrophobicContact CG1-CG 4.45Å; V214-V219 HydrophobicContact CB-CG2 3.77Å; V214-V219 HydrophobicContact CG1-CG2 3.68Å
215P96.8Very high96.6Very high32 Ų3254.4 Ų54.421%0.20831%0.306CS..PPolyproline II helixtrans-53.1132.8-178.3-27.834.6000112.4E217 R218 V219P215-E217 VanDerWaalsContact C-N 3.31Å; P215-E217 VanDerWaalsContact CB-CD 3.5Å; P215-E217 WeakPolarHBondContact CB-OE1 3.31Å; P215-E217 WeakPolarHBondContact CB-OE2 3.06Å; P215-E217 PolarHBondContact O-N 3.35Å; P215-R218 HydrophobicContact CB-CB 4.4Å; P215-R218 WeakPolarHBondContact O-CB 3.08Å; P215-R218 PolarHBondContact O-N 3.21Å; P215-V219 PolarHBondContact O-N 3.39Å; P215-V219 VanDerWaalsContact O-N 3.1Å
216P97.1Very high96.7Very high84 Ų8454.3 Ų54.355%0.54531%0.305SS..Hα-helixtrans-54.1-43.7-174.2-27.835.4000113.6R218 V219 E220P216-R218 PolarHBondContact O-N 2.78Å; P216-V219 WeakPolarHBondContact O-CB 3.21Å; P216-V219 PolarHBondContact O-N 3.09Å; P216-E220 WeakPolarHBondContact O-CG 3.48Å; P216-E220 PolarHBondContact O-N 3.44Å
217E97.6Very high96.7Very high125 Ų12557.4 Ų57.458%0.58432%0.319SS*.Hα-helixtrans-60.5-33.5179.869.3-77.1-17900112.2P215 F221P215-E217 VanDerWaalsContact C-N 3.31Å; P215-E217 VanDerWaalsContact CB-CD 3.5Å; P215-E217 WeakPolarHBondContact CB-OE1 3.31Å; P215-E217 WeakPolarHBondContact CB-OE2 3.06Å; P215-E217 PolarHBondContact O-N 3.35Å; E217-F221 VanDerWaalsContact O-CB 3.24Å; E217-F221 WeakPolarHBondContact O-CB 3.33Å; E217-F221 PolarHBondContact O-N 3.35Å
218R98Very high96.9Very high36 Ų3659.7 Ų59.714%0.13633%0.329CS..Hα-helixtrans-75.2-37.8176.5-169.6-173.9-59.4158.10.3111.2T134 E135 L136 V214 P215 P216 V222T134-R218 HydrophobicContact CG2-CG 3.8Å; E135-R218 WeakPolarHBondContact O-CD 3.38Å; E135-R218 PolarHBondContact O-NE 2.83Å; E135-R218 PolarHBondContact O-NH1 2.73Å; L136-R218 VanDerWaalsContact O-CD 3.27Å; L136-R218 WeakPolarHBondContact O-CD 3.43Å; L136-R218 PolarHBondContact O-NH1 2.89Å; V214-R218 HydrophobicContact CG1-CB 4.32Å; V214-R218 HydrophobicContact CG1-CG 4.45Å; P215-R218 HydrophobicContact CB-CB 4.4Å; P215-R218 WeakPolarHBondContact O-CB 3.08Å; P215-R218 PolarHBondContact O-N 3.21Å; P216-R218 PolarHBondContact O-N 2.78Å; R218-V222 WeakPolarHBondContact O-CB 3.47Å; R218-V222 VanDerWaalsContact O-CG2 3.28Å; R218-V222 WeakPolarHBondContact O-CG2 3.38Å; R218-V222 PolarHBondContact O-N 3.04Å
219V97.9Very high97Very high69 Ų6958.6 Ų58.642%0.41832%0.323SS..Hα-helixtrans-64.1-47.5176.3175.90000110.1V214 P215 P216 V222 A223V214-V219 HydrophobicContact CB-CG2 3.77Å; V214-V219 HydrophobicContact CG1-CG2 3.68Å; P215-V219 PolarHBondContact O-N 3.39Å; P215-V219 VanDerWaalsContact O-N 3.1Å; P216-V219 WeakPolarHBondContact O-CB 3.21Å; P216-V219 PolarHBondContact O-N 3.09Å; V219-V222 PolarHBondContact O-N 3.06Å; V219-A223 WeakPolarHBondContact O-CB 3.42Å; V219-A223 PolarHBondContact O-N 3.38Å
220E97.9Very high97.2Very high124 Ų12460.2 Ų60.258%0.57933%0.332SS*.Hα-helixtrans-59.6-51177.1-71.5166.8-162.900110.9P216 V222 A223 E224P216-E220 WeakPolarHBondContact O-CG 3.48Å; P216-E220 PolarHBondContact O-N 3.44Å; E220-V222 VanDerWaalsContact C-N 3.32Å; E220-V222 PolarHBondContact O-N 3.4Å; E220-A223 WeakPolarHBondContact O-CB 3.47Å; E220-A223 PolarHBondContact O-N 3.04Å; E220-A223 VanDerWaalsContact O-N 3.09Å; E220-E224 PolarHBondContact O-N 2.98Å
221F98.6Very high97.6Very high66 Ų6656.3 Ų56.329%0.28932%0.315SS..Hα-helixtrans-57.3-43.7178.3-176.7-89.3000112.8W115 T134 E217 E224 R225W115-F221 AromaticContact CE2-CE1 3.67Å; W115-F221 HydrophobicContact CH2-CE1 4.2Å; W115-F221 AromaticContact CH2-CZ 3.75Å; W115-F221 HydrophobicContact CH2-CZ 3.75Å; W115-F221 AromaticContact CZ2-CE1 3.47Å; W115-F221 HydrophobicContact CZ2-CE1 3.47Å; W115-F221 VanDerWaalsContact CZ2-CE1 3.47Å; W115-F221 AromaticContact CZ2-CZ 3.49Å; W115-F221 HydrophobicContact CZ2-CZ 3.49Å; W115-F221 VanDerWaalsContact CZ2-CZ 3.49Å; W115-F221 HydrophobicContact CZ3-CZ 4.5Å; W115-F221 AromaticContact NE1-CE1 3.82Å; T134-F221 WeakPolarHBondContact OG1-CE1 3.28Å; E217-F221 VanDerWaalsContact O-CB 3.24Å; E217-F221 WeakPolarHBondContact O-CB 3.33Å; E217-F221 PolarHBondContact O-N 3.35Å; F221-E224 PolarHBondContact O-N 3.23Å; F221-R225 HydrophobicContact CE1-CG 4.19Å; F221-R225 WeakPolarHBondContact O-CG 3.49Å; F221-R225 PolarHBondContact O-N 2.87Å
222V98.4Very high97.9Very high1 Ų152.8 Ų52.81%0.00628%0.279CS..Hα-helixtrans-70.1-36178.3169.80000111.4V117 T134 L136 R218 V219 E220 E224 R225 V226 L247V117-V222 HydrophobicContact CG1-CG1 4.09Å; V117-V222 HydrophobicContact CG1-CG2 4.27Å; V117-V222 HydrophobicContact CG2-CG1 3.94Å; V117-V222 HydrophobicContact CG2-CG2 4.19Å; T134-V222 HydrophobicContact CG2-CG2 3.73Å; L136-V222 HydrophobicContact CD1-CG2 4.38Å; R218-V222 WeakPolarHBondContact O-CB 3.47Å; R218-V222 VanDerWaalsContact O-CG2 3.28Å; R218-V222 WeakPolarHBondContact O-CG2 3.38Å; R218-V222 PolarHBondContact O-N 3.04Å; V219-V222 PolarHBondContact O-N 3.06Å; E220-V222 VanDerWaalsContact C-N 3.32Å; E220-V222 PolarHBondContact O-N 3.4Å; V222-E224 VanDerWaalsContact C-N 3.32Å; V222-E224 PolarHBondContact O-N 3.32Å; V222-R225 PolarHBondContact O-N 2.79Å; V222-V226 WeakPolarHBondContact O-CG2 3.13Å; V222-V226 PolarHBondContact O-N 3.18Å; V222-L247 HydrophobicContact CG1-CD1 3.54Å; V222-L247 HydrophobicContact CG1-CD2 3.68Å; V222-L247 HydrophobicContact CG1-CG 4.25Å
223A98.1Very high98Very high43 Ų4350.6 Ų50.636%0.35527%0.268SS..Hα-helixtrans-61.8-40.6175.700000111.4V219 E220 R225 V226 E227V219-A223 WeakPolarHBondContact O-CB 3.42Å; V219-A223 PolarHBondContact O-N 3.38Å; E220-A223 WeakPolarHBondContact O-CB 3.47Å; E220-A223 PolarHBondContact O-N 3.04Å; E220-A223 VanDerWaalsContact O-N 3.09Å; A223-R225 PolarHBondContact O-N 3.47Å; A223-V226 WeakPolarHBondContact O-CB 3.41Å; A223-V226 PolarHBondContact O-N 3.36Å; A223-V226 VanDerWaalsContact O-N 3.12Å; A223-E227 WeakPolarHBondContact O-CG 3.49Å; A223-E227 PolarHBondContact O-N 3.27Å
224E98.4Very high98.2Very high101 Ų10145.2 Ų45.247%0.47223%0.232SC..Hα-helixtrans-58.6-44.4173.2-68.5173.2-179.700111.9E220 F221 V222 V226 E227 E228E220-E224 PolarHBondContact O-N 2.98Å; F221-E224 PolarHBondContact O-N 3.23Å; V222-E224 VanDerWaalsContact C-N 3.32Å; V222-E224 PolarHBondContact O-N 3.32Å; E224-V226 VanDerWaalsContact C-N 3.26Å; E224-V226 PolarHBondContact O-N 3.42Å; E224-E227 PolarHBondContact O-N 2.9Å; E224-E227 VanDerWaalsContact O-N 3.14Å; E224-E228 VanDerWaalsContact O-CG 3.29Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 2.95Å
225R98.6Very high98.3Very high42 Ų4244.2 Ų44.216%0.15823%0.226CC..Hα-helixtrans-64.8-30.1176.6-53.6-53157.8-149-13.8113L34 W115 F221 V222 A223 E228 A229L34-R225 HydrophobicContact CD1-CB 4.2Å; W115-R225 HydrophobicContact CB-CB 4.4Å; W115-R225 HydrophobicContact CB-CG 4.34Å; W115-R225 HydrophobicContact CD2-CG 4.21Å; W115-R225 HydrophobicContact CG-CB 4.46Å; W115-R225 HydrophobicContact CG-CG 3.96Å; F221-R225 HydrophobicContact CE1-CG 4.19Å; F221-R225 WeakPolarHBondContact O-CG 3.49Å; F221-R225 PolarHBondContact O-N 2.87Å; V222-R225 PolarHBondContact O-N 2.79Å; A223-R225 PolarHBondContact O-N 3.47Å; R225-E228 VanDerWaalsContact CD-OE2 3.31Å; R225-E228 WeakPolarHBondContact CD-OE2 3.34Å; R225-E228 IonicContact CZ-OE1 3.51Å; R225-E228 IonicContact CZ-OE2 3.49Å; R225-E228 IonicContact NE-OE2 2.71Å; R225-E228 IonicContact NH1-OE1 3.74Å; R225-E228 PolarHBondContact NH1-OE1 2.79Å; R225-E228 IonicContact NH1-OE2 3.73Å; R225-E228 PolarHBondContact NH1-OE2 2.93Å; R225-A229 WeakPolarHBondContact O-CB 3.42Å; R225-A229 PolarHBondContact O-N 3.37Å; R225-A229 VanDerWaalsContact O-N 3.11Å
226V98.6Very high98.3Very high1 Ų142.8 Ų42.81%0.00622%0.217CC..Hα-helixtrans-68.8-42.6172.3168.30000111.2L34 V222 A223 E224 E228 A229 L247 R250 M251 L254 K256L34-V226 HydrophobicContact CD2-CB 4.37Å; L34-V226 HydrophobicContact CD2-CG2 3.58Å; V222-V226 WeakPolarHBondContact O-CG2 3.13Å; V222-V226 PolarHBondContact O-N 3.18Å; A223-V226 WeakPolarHBondContact O-CB 3.41Å; A223-V226 PolarHBondContact O-N 3.36Å; A223-V226 VanDerWaalsContact O-N 3.12Å; E224-V226 VanDerWaalsContact C-N 3.26Å; E224-V226 PolarHBondContact O-N 3.42Å; V226-E228 VanDerWaalsContact C-N 3.34Å; V226-A229 PolarHBondContact O-N 2.9Å; V226-L247 HydrophobicContact CG2-CB 4.18Å; V226-L247 HydrophobicContact CG2-CD2 4.11Å; V226-R250 HydrophobicContact CG1-CB 3.99Å; V226-R250 HydrophobicContact CG1-CG 3.6Å; V226-M251 HydrophobicContact CG1-CG 4.01Å; V226-M251 HydrophobicContact CG1-SD 3.81Å; V226-L254 HydrophobicContact CG1-CD1 4.38Å; V226-K256 PolarHBondContact O-NZ 3.2Å
227E98.3Very high98.3Very high88 Ų8839.4 Ų39.441%0.41120%0.195SC..Hα-helixtrans-66-36.2176.3-66.9-58.4155.400112.3A223 E224 R250 L254 K256A223-E227 WeakPolarHBondContact O-CG 3.49Å; A223-E227 PolarHBondContact O-N 3.27Å; E224-E227 PolarHBondContact O-N 2.9Å; E224-E227 VanDerWaalsContact O-N 3.14Å; E227-R250 IonicContact OE1-CZ 2.84Å; E227-R250 IonicContact OE1-NE 3.28Å; E227-R250 PolarHBondContact OE1-NE 3.49Å; E227-R250 IonicContact OE1-NH2 3.21Å; E227-R250 PolarHBondContact OE1-NH2 2.71Å; E227-R250 IonicContact OE2-NH2 2.74Å; E227-L254 WeakPolarHBondContact OE2-CD1 3.46Å; E227-K256 VanDerWaalsContact C-NZ 3.3Å; E227-K256 PolarHBondContact O-NZ 3.42Å
228E98.3Very high98.2Very high66 Ų6634.3 Ų34.331%0.30817%0.173SC..Hα-helixtrans-73.3-32.2177.5-70.4168.4177.600113.8R32 H114 E224 R225 V226R32-E228 WeakPolarHBondContact CD-O 3.43Å; R32-E228 PolarHBondContact NE-O 2.62Å; H114-E228 IonicContact CE1-OE2 3.87Å; H114-E228 PolarHBondContact CE1-OE2 2.78Å; H114-E228 IonicContact NE2-OE2 3.57Å; H114-E228 PolarHBondContact NE2-OE2 2.71Å; E224-E228 VanDerWaalsContact O-CG 3.29Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 2.95Å; R225-E228 VanDerWaalsContact CD-OE2 3.31Å; R225-E228 WeakPolarHBondContact CD-OE2 3.34Å; R225-E228 IonicContact CZ-OE1 3.51Å; R225-E228 IonicContact CZ-OE2 3.49Å; R225-E228 IonicContact NE-OE2 2.71Å; R225-E228 IonicContact NH1-OE1 3.74Å; R225-E228 PolarHBondContact NH1-OE1 2.79Å; R225-E228 IonicContact NH1-OE2 3.73Å; R225-E228 PolarHBondContact NH1-OE2 2.93Å; V226-E228 VanDerWaalsContact C-N 3.34Å
229A98.6Very high98.1Very high0 Ų032.6 Ų32.60%017%0.167CC..  trans-63.1149-172.300000113R32 L34 R225 V226 M251 K256R32-A229 CarbonylContact O-C 3.39Å; R32-A229 WeakPolarHBondContact O-CA 3.36Å; L34-A229 HydrophobicContact CB-CB 3.62Å; L34-A229 HydrophobicContact CD2-CB 4.42Å; R225-A229 WeakPolarHBondContact O-CB 3.42Å; R225-A229 PolarHBondContact O-N 3.37Å; R225-A229 VanDerWaalsContact O-N 3.11Å; V226-A229 PolarHBondContact O-N 2.9Å; A229-M251 HydrophobicContact CB-CE 3.84Å; A229-M251 HydrophobicContact CB-SD 4.18Å; A229-K256 WeakPolarHBondContact O-CD 3.43Å; A229-K256 WeakPolarHBondContact O-CE 3.47Å; A229-K256 PolarHBondContact O-NZ 3.45Å
230D98.6Very high97.8Very high50 Ų5033.6 Ų33.627%0.26717%0.167SC..SBendtrans-101.9-6.9172.8-54-53.2000112.1I30 K31 R32 P257I30-D230 HydrophobicContact CG2-CB 4.17Å; K31-D230 WeakPolarHBondContact CB-OD2 3.47Å; R32-D230 WeakPolarHBondContact CB-OD2 3.45Å; R32-D230 IonicContact CZ-OD1 3.13Å; R32-D230 IonicContact CZ-OD2 3.71Å; R32-D230 PolarHBondContact N-OD2 2.88Å; R32-D230 IonicContact NE-OD1 2.75Å; R32-D230 IonicContact NE-OD2 3.17Å; R32-D230 PolarHBondContact NE-OD2 3.42Å; R32-D230 IonicContact NH2-OD1 3.99Å; R32-D230 PolarHBondContact NH2-OD1 3.38Å; R32-D230 IonicContact NH2-OD2 2.67Å; R32-D230 PolarHBondContact NH2-OD2 2.93Å; R32-D230 PolarHBondContact O-N 2.91Å; D230-P257 VanDerWaalsContact O-CD 3.27Å; D230-P257 WeakPolarHBondContact O-CD 3.2Å
231G98.7Very high97.5Very high0 Ų029.7 Ų29.70%015%0.151CC..EExtended strand (participates in β ladder)trans-171157.6178.600000111.3L34 P257L34-G231 PolarHBondContact N-O 3.42Å; G231-P257 WeakPolarHBondContact CA-O 3.33Å
232L98.8Very high97.3Very high0 Ų030.3 Ų30.30%016%0.157CC..EExtended strand (participates in β ladder)trans-120132.9-178.3173.964000110.9L34 I36 V234 V248 M251 P257 I258 F259L34-L232 HydrophobicContact CB-CD1 4.34Å; L34-L232 HydrophobicContact CD2-CD1 4.21Å; L34-L232 HydrophobicContact CG-CD1 4.12Å; L34-L232 CarbonylContact O-C 3.58Å; L34-L232 WeakPolarHBondContact O-CA 3.17Å; I36-L232 HydrophobicContact CB-CD1 4.22Å; I36-L232 HydrophobicContact CD1-CD1 3.68Å; I36-L232 HydrophobicContact CD1-CD2 4.11Å; I36-L232 HydrophobicContact CG1-CD1 3.7Å; L232-V234 HydrophobicContact CD1-CG2 4.4Å; L232-V234 HydrophobicContact CD2-CG2 3.76Å; L232-V234 HydrophobicContact CG-CG2 3.9Å; L232-V248 HydrophobicContact CD2-CB 4.14Å; L232-V248 HydrophobicContact CD2-CG1 4.02Å; L232-V248 HydrophobicContact CD2-CG2 3.86Å; L232-M251 HydrophobicContact CB-CB 4.42Å; L232-M251 HydrophobicContact CB-CE 3.66Å; L232-M251 HydrophobicContact CB-CG 4.01Å; L232-M251 HydrophobicContact CD2-CB 4.24Å; L232-M251 HydrophobicContact CD2-CG 3.96Å; L232-M251 HydrophobicContact CG-CG 4.5Å; L232-P257 PolarHBondContact N-O 2.87Å; L232-I258 HydrophobicContact CB-CG1 4.31Å; L232-I258 HydrophobicContact CD2-CG1 4.32Å; L232-I258 HydrophobicContact CD2-CG2 4.27Å; L232-F259 WeakPolarHBondContact O-CD2 3.44Å; L232-F259 PolarHBondContact O-N 3.15Å
233L98.8Very high97Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-112.7116.6166.217862.5000110.4L23 L27 L33 L34 V35 I36 W107 L235 F259 V261 L284L23-L233 HydrophobicContact CD1-CD1 4.49Å; L27-L233 HydrophobicContact CD1-CD2 4.17Å; L27-L233 HydrophobicContact CD2-CB 4.43Å; L27-L233 HydrophobicContact CD2-CD2 4.49Å; L33-L233 HydrophobicContact CD1-CB 4Å; L34-L233 PolarHBondContact O-N 3.33Å; V35-L233 CarbonylContact C-O 3.58Å; V35-L233 VanDerWaalsContact CA-O 3.28Å; V35-L233 WeakPolarHBondContact CA-O 3.18Å; V35-L233 HydrophobicContact CG2-CB 4.41Å; I36-L233 PolarHBondContact N-O 2.67Å; W107-L233 HydrophobicContact CZ3-CD2 4.1Å; L233-L235 HydrophobicContact CD1-CD2 3.93Å; L233-L235 HydrophobicContact CD2-CD1 4.28Å; L233-L235 HydrophobicContact CD2-CD2 4.03Å; L233-L235 HydrophobicContact CD2-CG 4.31Å; L233-L235 HydrophobicContact CG-CD1 4.42Å; L233-L235 HydrophobicContact CG-CD2 3.79Å; L233-L235 HydrophobicContact CG-CG 3.98Å; L233-F259 CarbonylContact C-O 3.57Å; L233-F259 WeakPolarHBondContact CA-O 2.96Å; L233-F259 HydrophobicContact CD1-CB 3.86Å; L233-V261 HydrophobicContact CD1-CG2 4.16Å; L233-L284 HydrophobicContact CD2-CD2 4.3Å
234V98.8Very high96.9Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-98.2127.7176.2-176.90000109.6I36 L232 T237 L239 V248 F259 I260 V261I36-V234 CarbonylContact O-C 3.58Å; I36-V234 WeakPolarHBondContact O-CA 3.25Å; L232-V234 HydrophobicContact CD1-CG2 4.4Å; L232-V234 HydrophobicContact CD2-CG2 3.76Å; L232-V234 HydrophobicContact CG-CG2 3.9Å; V234-T237 HydrophobicContact CG1-CG2 3.33Å; V234-L239 HydrophobicContact CG1-CD1 3.96Å; V234-L239 HydrophobicContact CG1-CD2 4.28Å; V234-L239 HydrophobicContact CG1-CG 4.22Å; V234-L239 HydrophobicContact CG2-CD1 4.49Å; V234-V248 HydrophobicContact CG2-CG2 4.1Å; V234-F259 PolarHBondContact N-O 3.44Å; V234-I260 HydrophobicContact CB-CG1 4.12Å; V234-I260 HydrophobicContact CB-CG2 4.48Å; V234-I260 HydrophobicContact CG2-CG1 4.36Å; V234-I260 WeakPolarHBondContact O-CA 3.13Å; V234-V261 PolarHBondContact O-N 2.97Å
235L98.7Very high96.9Very high0 Ų025.8 Ų25.80%013%0.129CC..EExtended strand (participates in β ladder)trans-126.6124.5-175.4-59.3173.4000111.7V35 I36 T37 G38 L104 L233 T237 V261 L284V35-L235 HydrophobicContact CG1-CD1 3.6Å; V35-L235 HydrophobicContact CG1-CG 4.21Å; I36-L235 PolarHBondContact O-N 3.35Å; T37-L235 WeakPolarHBondContact CA-O 3.31Å; T37-L235 HydrophobicContact CG2-CB 4.22Å; T37-L235 HydrophobicContact CG2-CD1 4.17Å; G38-L235 PolarHBondContact N-O 3.48Å; G38-L235 VanDerWaalsContact N-O 3.08Å; L104-L235 HydrophobicContact CD1-CD1 3.76Å; L104-L235 HydrophobicContact CD2-CD1 4.12Å; L104-L235 HydrophobicContact CG-CD1 4.38Å; L233-L235 HydrophobicContact CD1-CD2 3.93Å; L233-L235 HydrophobicContact CD2-CD1 4.28Å; L233-L235 HydrophobicContact CD2-CD2 4.03Å; L233-L235 HydrophobicContact CD2-CG 4.31Å; L233-L235 HydrophobicContact CG-CD1 4.42Å; L233-L235 HydrophobicContact CG-CD2 3.79Å; L233-L235 HydrophobicContact CG-CG 3.98Å; L235-T237 VanDerWaalsContact C-N 3.31Å; L235-T237 PolarHBondContact O-N 2.81Å; L235-V261 WeakPolarHBondContact CA-O 3.14Å; L235-V261 HydrophobicContact CD2-CB 3.71Å; L235-V261 HydrophobicContact CD2-CG2 3.96Å; L235-L284 HydrophobicContact CD1-CD1 3.9Å; L235-L284 HydrophobicContact CD1-CD2 4.36Å; L235-L284 HydrophobicContact CD2-CD2 4.35Å
236G97.7Very high96.8Very high2 Ų230.3 Ų30.32%0.02115%0.146CC..SBendtrans61.836.6165.300000113.8G38 A39 G40 V261 N262 C280G38-G236 CarbonylContact C-O 3.53Å; A39-G236 PolarHBondContact N-O 2.92Å; G40-G236 WeakPolarHBondContact CA-O 3.38Å; G40-G236 PolarHBondContact N-O 2.87Å; G236-V261 PolarHBondContact N-O 2.87Å; G236-N262 VanDerWaalsContact C-OD1 3.31Å; G236-N262 WeakPolarHBondContact CA-OD1 3.32Å; G236-C280 VanDerWaalsContact CA-SG 3.53Å; G236-C280 PolarHBondContact N-SG 3.5Å
237T97Very high96.8Very high14 Ų1431.2 Ų31.29%0.08615%0.151CC..  trans-141.6139.9176.8-177.30000111.6Q119 V234 L235 L239 N262 T266Q119-T237 PolarHBondContact NE2-OG1 3.43Å; Q119-T237 VanDerWaalsContact NE2-OG1 3.12Å; V234-T237 HydrophobicContact CG1-CG2 3.33Å; L235-T237 VanDerWaalsContact C-N 3.31Å; L235-T237 PolarHBondContact O-N 2.81Å; T237-L239 VanDerWaalsContact C-N 3.28Å; T237-L239 HydrophobicContact CG2-CD2 3.69Å; T237-L239 HydrophobicContact CG2-CG 3.89Å; T237-L239 PolarHBondContact OG1-N 3.08Å; T237-N262 PolarHBondContact N-OD1 3.4Å; T237-T266 WeakPolarHBondContact O-CG2 3.4Å
238S95.2Very high96.8Very high17 Ų1727 Ų2712%0.11913%0.131CC..  trans-81.7-8.3174.1530000112.9R51 Q240 T266 R267R51-S238 WeakPolarHBondContact CD-OG 3.33Å; R51-S238 PolarHBondContact NH1-OG 3.36Å; S238-Q240 PolarHBondContact O-N 2.75Å; S238-T266 WeakPolarHBondContact O-CA 3.25Å; S238-R267 PolarHBondContact O-N 3.29Å
239L95.9Very high96.8Very high0 Ų027.1 Ų27.10%013%0.132CC..  trans53.333.2-179.1-60.6166.9000113.8V234 T237 V241 Y245 V248 R267 A268V234-L239 HydrophobicContact CG1-CD1 3.96Å; V234-L239 HydrophobicContact CG1-CD2 4.28Å; V234-L239 HydrophobicContact CG1-CG 4.22Å; V234-L239 HydrophobicContact CG2-CD1 4.49Å; T237-L239 VanDerWaalsContact C-N 3.28Å; T237-L239 HydrophobicContact CG2-CD2 3.69Å; T237-L239 HydrophobicContact CG2-CG 3.89Å; T237-L239 PolarHBondContact OG1-N 3.08Å; L239-V241 VanDerWaalsContact C-N 3.34Å; L239-Y245 HydrophobicContact CB-CD2 4.26Å; L239-V248 HydrophobicContact CD1-CB 4.39Å; L239-V248 HydrophobicContact CD1-CG1 4.45Å; L239-V248 HydrophobicContact CD1-CG2 3.65Å; L239-V248 HydrophobicContact CD2-CG2 3.9Å; L239-V248 HydrophobicContact CG-CG2 4.42Å; L239-R267 HydrophobicContact CB-CB 4.34Å; L239-R267 WeakPolarHBondContact O-CB 3.17Å; L239-R267 WeakPolarHBondContact O-CD 3.46Å; L239-A268 HydrophobicContact CD1-CB 3.55Å
240Q92.8Very high96.8Very high90 Ų9031.9 Ų31.942%0.42115%0.15SC..  trans-74.1-29.2177.6-65.3-60.7-31.200112.1S238S238-Q240 PolarHBondContact O-N 2.75Å
241V91.1Very high96.8Very high43 Ų4329.5 Ų29.526%0.26114%0.137SC..SBendtrans-79127.1175.5-176.20000109.3L239 S243 G244 Y245L239-V241 VanDerWaalsContact C-N 3.34Å; V241-S243 VanDerWaalsContact C-N 3.28Å; V241-S243 PolarHBondContact O-N 3.19Å; V241-G244 PolarHBondContact O-N 3Å; V241-Y245 PolarHBondContact O-N 3Å
242L93.1Very high96.8Very high79 Ų7935.4 Ų35.441%0.41416%0.16SC..Hα-helixtrans-62.6-32.6-170.5-174.259.3000113.2G244 Y245 R246L242-G244 VanDerWaalsContact C-N 3.34Å; L242-G244 PolarHBondContact O-N 3.13Å; L242-Y245 HydrophobicContact CD1-CD1 4.01Å; L242-Y245 PolarHBondContact O-N 3.21Å; L242-R246 HydrophobicContact CD1-CG 3.9Å; L242-R246 VanDerWaalsContact CD2-NH1 3.3Å; L242-R246 HydrophobicContact CG-CG 3.98Å; L242-R246 WeakPolarHBondContact O-CB 3.25Å; L242-R246 WeakPolarHBondContact O-CG 3.44Å; L242-R246 PolarHBondContact O-N 3.16Å
243S94.1Very high96.7Very high15 Ų1540.7 Ų40.711%0.10519%0.185CC..Hα-helixtrans-59.2-42.9-179.661.60000112.6H137 V241H137-S243 PolarHBondContact NE2-OG 3.41Å; V241-S243 VanDerWaalsContact C-N 3.28Å; V241-S243 PolarHBondContact O-N 3.19Å
244G95Very high96.7Very high0 Ų043.4 Ų43.40%020%0.199CC..Hα-helixtrans-74.8-41.5175.100000112V241 L242 R246 L247V241-G244 PolarHBondContact O-N 3Å; L242-G244 VanDerWaalsContact C-N 3.34Å; L242-G244 PolarHBondContact O-N 3.13Å; G244-R246 VanDerWaalsContact C-N 3.33Å; G244-R246 PolarHBondContact O-N 3.25Å; G244-L247 WeakPolarHBondContact O-CB 3.13Å; G244-L247 PolarHBondContact O-N 3.33Å
245Y97.7Very high96.7Very high35 Ų3546.7 Ų46.714%0.13723%0.233CC..Hα-helixtrans-60.9-38179.1-178.4-106.7000113.2L239 V241 L242 L247 V248 H249 R267 A268 L271L239-Y245 HydrophobicContact CB-CD2 4.26Å; V241-Y245 PolarHBondContact O-N 3Å; L242-Y245 HydrophobicContact CD1-CD1 4.01Å; L242-Y245 PolarHBondContact O-N 3.21Å; Y245-L247 PolarHBondContact O-N 3.12Å; Y245-V248 WeakPolarHBondContact O-CB 3.37Å; Y245-V248 PolarHBondContact O-N 3Å; Y245-V248 VanDerWaalsContact O-N 3.08Å; Y245-H249 HydrophobicContact CE1-CB 4.5Å; Y245-H249 PolarHBondContact O-N 3.03Å; Y245-R267 HydrophobicContact CD2-CB 4Å; Y245-R267 HydrophobicContact CD2-CG 3.81Å; Y245-R267 HydrophobicContact CE2-CB 4.08Å; Y245-R267 HydrophobicContact CE2-CG 3.62Å; Y245-R267 HydrophobicContact CG-CG 4.42Å; Y245-A268 HydrophobicContact CD2-CB 4.31Å; Y245-A268 HydrophobicContact CE2-CB 4.03Å; Y245-L271 HydrophobicContact CE2-CD1 4.27Å
246R97.5Very high96.7Very high136 Ų13648.4 Ų48.451%0.51324%0.24SC..Hα-helixtrans-58.8-35.3177.7-80.1-172.8-61.8-121.86112.9L242 G244 V248 H249 R250L242-R246 HydrophobicContact CD1-CG 3.9Å; L242-R246 VanDerWaalsContact CD2-NH1 3.3Å; L242-R246 HydrophobicContact CG-CG 3.98Å; L242-R246 WeakPolarHBondContact O-CB 3.25Å; L242-R246 WeakPolarHBondContact O-CG 3.44Å; L242-R246 PolarHBondContact O-N 3.16Å; G244-R246 VanDerWaalsContact C-N 3.33Å; G244-R246 PolarHBondContact O-N 3.25Å; R246-V248 VanDerWaalsContact C-N 3.35Å; R246-H249 PolarHBondContact O-N 3.09Å; R246-R250 WeakPolarHBondContact O-CB 3.33Å; R246-R250 PolarHBondContact O-N 2.96Å
247L98.1Very high96.7Very high21 Ų2149.8 Ų49.811%0.1125%0.249CC..Hα-helixtrans-66.2-40.8176.6-52.5179.4000111I36 V117 L136 V222 V226 G244 Y245 R250 M251I36-L247 HydrophobicContact CD1-CB 3.63Å; I36-L247 HydrophobicContact CD1-CD1 3.93Å; I36-L247 HydrophobicContact CD1-CG 4.42Å; V117-L247 HydrophobicContact CG1-CD1 4.06Å; L136-L247 HydrophobicContact CD2-CD1 4.23Å; V222-L247 HydrophobicContact CG1-CD1 3.54Å; V222-L247 HydrophobicContact CG1-CD2 3.68Å; V222-L247 HydrophobicContact CG1-CG 4.25Å; V226-L247 HydrophobicContact CG2-CB 4.18Å; V226-L247 HydrophobicContact CG2-CD2 4.11Å; G244-L247 WeakPolarHBondContact O-CB 3.13Å; G244-L247 PolarHBondContact O-N 3.33Å; Y245-L247 PolarHBondContact O-N 3.12Å; L247-R250 PolarHBondContact O-N 3.35Å; L247-M251 WeakPolarHBondContact O-CG 3.33Å; L247-M251 PolarHBondContact O-N 3.12Å
248V98.3Very high96.8Very high0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-67.5-43.4176.7-171.50000111.2I36 L232 V234 L239 Y245 R246 R250 M251 Y252 I258 A268I36-V248 HydrophobicContact CD1-CG2 4.14Å; L232-V248 HydrophobicContact CD2-CB 4.14Å; L232-V248 HydrophobicContact CD2-CG1 4.02Å; L232-V248 HydrophobicContact CD2-CG2 3.86Å; V234-V248 HydrophobicContact CG2-CG2 4.1Å; L239-V248 HydrophobicContact CD1-CB 4.39Å; L239-V248 HydrophobicContact CD1-CG1 4.45Å; L239-V248 HydrophobicContact CD1-CG2 3.65Å; L239-V248 HydrophobicContact CD2-CG2 3.9Å; L239-V248 HydrophobicContact CG-CG2 4.42Å; Y245-V248 WeakPolarHBondContact O-CB 3.37Å; Y245-V248 PolarHBondContact O-N 3Å; Y245-V248 VanDerWaalsContact O-N 3.08Å; R246-V248 VanDerWaalsContact C-N 3.35Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 2.96Å; V248-M251 PolarHBondContact O-N 3.05Å; V248-Y252 PolarHBondContact O-N 2.92Å; V248-Y252 VanDerWaalsContact O-N 3.09Å; V248-I258 HydrophobicContact CG1-CD1 4.03Å; V248-I258 HydrophobicContact CG1-CG2 4.01Å; V248-A268 HydrophobicContact CB-CB 4.46Å; V248-A268 HydrophobicContact CG1-CB 3.7Å
249H98.1Very high96.9Very high68 Ų6848.4 Ų48.432%0.31524%0.24SC..Hα-helixtrans-60.1-41.8175.5-166.9-86.7000111.5Y245 R246 Y252 E253Y245-H249 HydrophobicContact CE1-CB 4.5Å; Y245-H249 PolarHBondContact O-N 3.03Å; R246-H249 PolarHBondContact O-N 3.09Å; H249-Y252 WeakPolarHBondContact O-CB 3.31Å; H249-Y252 PolarHBondContact O-N 3.19Å; H249-Y252 VanDerWaalsContact O-N 3.16Å; H249-E253 IonicContact CE1-OE1 3.92Å; H249-E253 PolarHBondContact CE1-OE1 2.92Å; H249-E253 IonicContact ND1-OE1 3.37Å; H249-E253 PolarHBondContact ND1-OE1 3.43Å; H249-E253 WeakPolarHBondContact O-CG 3.5Å; H249-E253 PolarHBondContact O-N 3.35Å
250R98.4Very high97.1Very high99 Ų9948.4 Ų48.437%0.37424%0.24SC..Hα-helixtrans-63.6-41.9176.6-177.257.9179.3165.63.5112.5V226 E227 R246 L247 V248 Y252 E253 L254V226-R250 HydrophobicContact CG1-CB 3.99Å; V226-R250 HydrophobicContact CG1-CG 3.6Å; E227-R250 IonicContact OE1-CZ 2.84Å; E227-R250 IonicContact OE1-NE 3.28Å; E227-R250 PolarHBondContact OE1-NE 3.49Å; E227-R250 IonicContact OE1-NH2 3.21Å; E227-R250 PolarHBondContact OE1-NH2 2.71Å; E227-R250 IonicContact OE2-NH2 2.74Å; R246-R250 WeakPolarHBondContact O-CB 3.33Å; R246-R250 PolarHBondContact O-N 2.96Å; L247-R250 PolarHBondContact O-N 3.35Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 2.96Å; R250-Y252 PolarHBondContact O-N 2.96Å; R250-E253 WeakPolarHBondContact CD-OE2 3.22Å; R250-E253 IonicContact NH1-OE2 2.93Å; R250-E253 PolarHBondContact NH1-OE2 3.25Å; R250-E253 PolarHBondContact O-N 2.97Å; R250-L254 HydrophobicContact CG-CD1 4.19Å; R250-L254 VanDerWaalsContact O-CG 3.31Å; R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 2.86Å
251M98.5Very high97.3Very high0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-59.1-38.1173.6-72.4-66.1-76.400112.1V226 A229 L232 L247 V248 L254 G255 K256 I258V226-M251 HydrophobicContact CG1-CG 4.01Å; V226-M251 HydrophobicContact CG1-SD 3.81Å; A229-M251 HydrophobicContact CB-CE 3.84Å; A229-M251 HydrophobicContact CB-SD 4.18Å; L232-M251 HydrophobicContact CB-CB 4.42Å; L232-M251 HydrophobicContact CB-CE 3.66Å; L232-M251 HydrophobicContact CB-CG 4.01Å; L232-M251 HydrophobicContact CD2-CB 4.24Å; L232-M251 HydrophobicContact CD2-CG 3.96Å; L232-M251 HydrophobicContact CG-CG 4.5Å; L247-M251 WeakPolarHBondContact O-CG 3.33Å; L247-M251 PolarHBondContact O-N 3.12Å; V248-M251 PolarHBondContact O-N 3.05Å; M251-L254 PolarHBondContact O-N 2.92Å; M251-G255 PolarHBondContact O-N 2.75Å; M251-K256 HydrophobicContact CE-CB 3.63Å; M251-K256 HydrophobicContact CE-CD 3.62Å; M251-K256 HydrophobicContact CE-CG 4.26Å; M251-K256 WeakPolarHBondContact O-CB 2.97Å; M251-K256 PolarHBondContact O-N 2.98Å; M251-K256 HydrophobicContact SD-CB 4.31Å; M251-K256 HydrophobicContact SD-CD 3.62Å; M251-I258 HydrophobicContact CB-CD1 4.13Å; M251-I258 HydrophobicContact CB-CG1 4.04Å
252Y98.5Very high97.6Very high125 Ų12542.7 Ų42.749%0.4921%0.21SC..Hα-helixtrans-66.6-45.3176.5178.5-101.2000112.1V248 H249 R250 L254 G255 L271V248-Y252 PolarHBondContact O-N 2.92Å; V248-Y252 VanDerWaalsContact O-N 3.09Å; H249-Y252 WeakPolarHBondContact O-CB 3.31Å; H249-Y252 PolarHBondContact O-N 3.19Å; H249-Y252 VanDerWaalsContact O-N 3.16Å; R250-Y252 PolarHBondContact O-N 2.96Å; Y252-L254 PolarHBondContact O-N 3.42Å; Y252-G255 PolarHBondContact O-N 2.97Å; Y252-L271 HydrophobicContact CD1-CD2 3.97Å; Y252-L271 HydrophobicContact CD2-CB 4.02Å; Y252-L271 HydrophobicContact CD2-CD2 4.02Å; Y252-L271 HydrophobicContact CE1-CD2 4.05Å; Y252-L271 HydrophobicContact CE2-CD2 4.1Å; Y252-L271 HydrophobicContact CG-CB 4.29Å; Y252-L271 HydrophobicContact CG-CD2 3.95Å; Y252-L271 HydrophobicContact CG-CG 4.47Å
253E98.3Very high97.7Very high111 Ų11142.9 Ų42.952%0.51922%0.215SC..Hα-helixtrans-59.8-35.3175.5-71.7173.6171.500112.9H249 R250 G255H249-E253 IonicContact CE1-OE1 3.92Å; H249-E253 PolarHBondContact CE1-OE1 2.92Å; H249-E253 IonicContact ND1-OE1 3.37Å; H249-E253 PolarHBondContact ND1-OE1 3.43Å; H249-E253 WeakPolarHBondContact O-CG 3.5Å; H249-E253 PolarHBondContact O-N 3.35Å; R250-E253 WeakPolarHBondContact CD-OE2 3.22Å; R250-E253 IonicContact NH1-OE2 2.93Å; R250-E253 PolarHBondContact NH1-OE2 3.25Å; R250-E253 PolarHBondContact O-N 2.97Å; E253-G255 PolarHBondContact O-N 2.87Å
254L98.3Very high97.6Very high57 Ų5743.3 Ų43.330%0.29822%0.221SC..THydrogen-bonded Turntrans-75.5-0.7175.6-66.7172000113.2V226 E227 R250 M251 Y252 K256V226-L254 HydrophobicContact CG1-CD1 4.38Å; E227-L254 WeakPolarHBondContact OE2-CD1 3.46Å; R250-L254 HydrophobicContact CG-CD1 4.19Å; R250-L254 VanDerWaalsContact O-CG 3.31Å; R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 2.86Å; M251-L254 PolarHBondContact O-N 2.92Å; Y252-L254 PolarHBondContact O-N 3.42Å; L254-K256 HydrophobicContact CB-CD 3.87Å; L254-K256 HydrophobicContact CB-CG 3.92Å; L254-K256 HydrophobicContact CD1-CD 4.12Å; L254-K256 PolarHBondContact O-N 2.95Å
255G98.2Very high97.5Very high69 Ų6951.9 Ų51.971%0.71126%0.259SS*.THydrogen-bonded Turntrans68.718.8-17800000113.9M251 Y252 E253M251-G255 PolarHBondContact O-N 2.75Å; Y252-G255 PolarHBondContact O-N 2.97Å; E253-G255 PolarHBondContact O-N 2.87Å
256K98.5Very high97.4Very high36 Ų3650.7 Ų50.716%0.15726%0.255CS..  trans-86.1141.9-176-63.1173178.5-175.10110.6V226 E227 A229 M251 L254 I258V226-K256 PolarHBondContact O-NZ 3.2Å; E227-K256 VanDerWaalsContact C-NZ 3.3Å; E227-K256 PolarHBondContact O-NZ 3.42Å; A229-K256 WeakPolarHBondContact O-CD 3.43Å; A229-K256 WeakPolarHBondContact O-CE 3.47Å; A229-K256 PolarHBondContact O-NZ 3.45Å; M251-K256 HydrophobicContact CE-CB 3.63Å; M251-K256 HydrophobicContact CE-CD 3.62Å; M251-K256 HydrophobicContact CE-CG 4.26Å; M251-K256 WeakPolarHBondContact O-CB 2.97Å; M251-K256 PolarHBondContact O-N 2.98Å; M251-K256 HydrophobicContact SD-CB 4.31Å; M251-K256 HydrophobicContact SD-CD 3.62Å; L254-K256 HydrophobicContact CB-CD 3.87Å; L254-K256 HydrophobicContact CB-CG 3.92Å; L254-K256 HydrophobicContact CD1-CD 4.12Å; L254-K256 PolarHBondContact O-N 2.95Å; K256-I258 PolarHBondContact O-N 3.16Å
257P98.4Very high97.4Very high30 Ų3049.6 Ų49.620%0.19525%0.251CS..  trans-64.1136.1-179.626.6-35.2000111.8I30 D230 G231 L232 F259 S273I30-P257 HydrophobicContact CD1-CG 3.68Å; D230-P257 VanDerWaalsContact O-CD 3.27Å; D230-P257 WeakPolarHBondContact O-CD 3.2Å; G231-P257 WeakPolarHBondContact CA-O 3.33Å; L232-P257 PolarHBondContact N-O 2.87Å; P257-F259 HydrophobicContact CB-CE2 3.94Å; P257-F259 HydrophobicContact CB-CZ 3.8Å; P257-F259 HydrophobicContact CG-CE2 4.27Å; P257-F259 HydrophobicContact CG-CZ 4.41Å; P257-S273 WeakPolarHBondContact CA-OG 3.48Å
258I98.7Very high97.3Very high1 Ų148.6 Ų48.61%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-118.5122.2179.7-63.9157.9000109L232 V248 M251 K256 I260 L271 A272 S273 L274L232-I258 HydrophobicContact CB-CG1 4.31Å; L232-I258 HydrophobicContact CD2-CG1 4.32Å; L232-I258 HydrophobicContact CD2-CG2 4.27Å; V248-I258 HydrophobicContact CG1-CD1 4.03Å; V248-I258 HydrophobicContact CG1-CG2 4.01Å; M251-I258 HydrophobicContact CB-CD1 4.13Å; M251-I258 HydrophobicContact CB-CG1 4.04Å; K256-I258 PolarHBondContact O-N 3.16Å; I258-I260 HydrophobicContact CG2-CG1 4.2Å; I258-L271 HydrophobicContact CD1-CB 4.35Å; I258-A272 CarbonylContact O-C 3.4Å; I258-S273 PolarHBondContact N-OG 3.38Å; I258-S273 VanDerWaalsContact N-OG 3.17Å; I258-S273 WeakPolarHBondContact O-CB 3.14Å; I258-S273 PolarHBondContact O-N 2.71Å; I258-L274 PolarHBondContact O-N 3.11Å
259F98.7Very high97.3Very high2 Ų251 Ų511%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-111.5137.2177-52.9-73.6000109.6L23 R26 L27 I30 L232 L233 V234 P257 L274L23-F259 HydrophobicContact CD1-CB 3.62Å; L23-F259 HydrophobicContact CD1-CD1 3.77Å; L23-F259 HydrophobicContact CD1-CG 3.78Å; R26-F259 HydrophobicContact CB-CE1 3.58Å; R26-F259 HydrophobicContact CB-CZ 3.65Å; R26-F259 HydrophobicContact CG-CE1 4.21Å; L27-F259 HydrophobicContact CD2-CD2 3.74Å; L27-F259 HydrophobicContact CD2-CE2 4.13Å; L27-F259 HydrophobicContact CD2-CG 4.31Å; I30-F259 HydrophobicContact CD1-CE2 4.19Å; I30-F259 HydrophobicContact CG1-CE2 4.09Å; L232-F259 WeakPolarHBondContact O-CD2 3.44Å; L232-F259 PolarHBondContact O-N 3.15Å; L233-F259 CarbonylContact C-O 3.57Å; L233-F259 WeakPolarHBondContact CA-O 2.96Å; L233-F259 HydrophobicContact CD1-CB 3.86Å; V234-F259 PolarHBondContact N-O 3.44Å; P257-F259 HydrophobicContact CB-CE2 3.94Å; P257-F259 HydrophobicContact CB-CZ 3.8Å; P257-F259 HydrophobicContact CG-CE2 4.27Å; P257-F259 HydrophobicContact CG-CZ 4.41Å; F259-L274 WeakPolarHBondContact CA-O 3.29Å; F259-L274 HydrophobicContact CD1-CB 4.01Å; F259-L274 HydrophobicContact CE1-CB 4.48Å
260I98.6Very high97.2Very high0 Ų052.8 Ų52.80%028%0.279CS..EExtended strand (participates in β ladder)trans-125.8128-179.7-56.1-172.5000110.2V234 I258 N262 T266 A268 A272 L274 K275 V276V234-I260 HydrophobicContact CB-CG1 4.12Å; V234-I260 HydrophobicContact CB-CG2 4.48Å; V234-I260 HydrophobicContact CG2-CG1 4.36Å; V234-I260 WeakPolarHBondContact O-CA 3.13Å; I258-I260 HydrophobicContact CG2-CG1 4.2Å; I260-N262 HydrophobicContact CG2-CB 4.02Å; I260-T266 HydrophobicContact CG2-CG2 3.93Å; I260-A268 HydrophobicContact CD1-CB 4.16Å; I260-A272 HydrophobicContact CD1-CB 3.72Å; I260-A272 HydrophobicContact CG1-CB 3.89Å; I260-L274 PolarHBondContact N-O 2.96Å; I260-K275 HydrophobicContact CB-CB 4.34Å; I260-K275 HydrophobicContact CB-CG 4.12Å; I260-K275 HydrophobicContact CG2-CG 4.22Å; I260-K275 CarbonylContact O-C 3.45Å; I260-K275 VanDerWaalsContact O-CA 3.3Å; I260-K275 WeakPolarHBondContact O-CA 3.31Å; I260-V276 PolarHBondContact O-N 3.12Å
261V98.3Very high97.2Very high1 Ų149.1 Ų49.11%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-118.5109.3164.6-1730000108.3L23 L233 V234 L235 G236 V276 C280 V283L23-V261 HydrophobicContact CD2-CG2 3.57Å; L233-V261 HydrophobicContact CD1-CG2 4.16Å; V234-V261 PolarHBondContact O-N 2.97Å; L235-V261 WeakPolarHBondContact CA-O 3.14Å; L235-V261 HydrophobicContact CD2-CB 3.71Å; L235-V261 HydrophobicContact CD2-CG2 3.96Å; G236-V261 PolarHBondContact N-O 2.87Å; V261-V276 WeakPolarHBondContact CA-O 3.36Å; V261-V276 HydrophobicContact CG2-CB 4.33Å; V261-C280 PolarHBondContact O-SG 3.39Å; V261-V283 HydrophobicContact CG1-CB 3.86Å; V261-V283 HydrophobicContact CG1-CG1 4.08Å; V261-V283 HydrophobicContact CG1-CG2 3.74Å; V261-V283 HydrophobicContact CG2-CG1 3.96Å
262N96.9Very high97.2Very high11 Ų1150.3 Ų50.36%0.05928%0.276CS..  trans-156.5144.5-178-17666.9000111.1G236 T237 I260 G264 T266 V276 E277G236-N262 VanDerWaalsContact C-OD1 3.31Å; G236-N262 WeakPolarHBondContact CA-OD1 3.32Å; T237-N262 PolarHBondContact N-OD1 3.4Å; I260-N262 HydrophobicContact CG2-CB 4.02Å; N262-G264 PolarHBondContact ND2-O 3.22Å; N262-G264 VanDerWaalsContact ND2-O 3.17Å; N262-T266 HydrophobicContact CB-CG2 3.88Å; N262-V276 PolarHBondContact N-O 3.35Å; N262-E277 WeakPolarHBondContact O-CA 3.38Å
263V94.1Very high97.1Very high83 Ų8347.9 Ų47.950%0.50328%0.278SS..SBendtrans-78.7120168.8-179.50000109.2
264G91.9Very high97.1Very high24 Ų2443.6 Ų43.625%0.24726%0.258CS..SBendtrans81.2-173.8-178.700000115.2N262 K275N262-G264 PolarHBondContact ND2-O 3.22Å; N262-G264 VanDerWaalsContact ND2-O 3.17Å; G264-K275 PolarHBondContact O-NZ 3.24Å
265K93.9Very high97.1Very high180 Ų18043 Ų4378%0.78325%0.253SS*.  trans-70.5145.4-174.1-67.2-171.6178-176.10112.9D269K265-D269 WeakPolarHBondContact CA-OD2 3.3Å
266T95.8Very high97Very high10 Ų1039.8 Ų39.86%0.06122%0.22CC..  trans-120156169.583.80000110.2T237 S238 I260 N262 A268 D269T237-T266 WeakPolarHBondContact O-CG2 3.4Å; S238-T266 WeakPolarHBondContact O-CA 3.25Å; I260-T266 HydrophobicContact CG2-CG2 3.93Å; N262-T266 HydrophobicContact CB-CG2 3.88Å; T266-A268 PolarHBondContact O-N 3.17Å; T266-A268 PolarHBondContact OG1-N 2.99Å; T266-D269 WeakPolarHBondContact CB-OD1 3.5Å; T266-D269 VanDerWaalsContact N-CG 3.35Å; T266-D269 PolarHBondContact N-OD1 3.5Å; T266-D269 VanDerWaalsContact N-OD1 3.16Å; T266-D269 PolarHBondContact N-OD2 3Å; T266-D269 VanDerWaalsContact O-CG 3.25Å; T266-D269 PolarHBondContact O-N 2.94Å; T266-D269 PolarHBondContact OG1-N 2.87Å; T266-D269 PolarHBondContact OG1-OD1 2.77Å
267R96.3Very high96.9Very high114 Ų11443.1 Ų43.143%0.4324%0.236SC..THydrogen-bonded Turntrans-62.2-21.3173.6-170.5178.3173.6161.21.2112.9S238 L239 Y245S238-R267 PolarHBondContact O-N 3.29Å; L239-R267 HydrophobicContact CB-CB 4.34Å; L239-R267 WeakPolarHBondContact O-CB 3.17Å; L239-R267 WeakPolarHBondContact O-CD 3.46Å; Y245-R267 HydrophobicContact CD2-CB 4Å; Y245-R267 HydrophobicContact CD2-CG 3.81Å; Y245-R267 HydrophobicContact CE2-CB 4.08Å; Y245-R267 HydrophobicContact CE2-CG 3.62Å; Y245-R267 HydrophobicContact CG-CG 4.42Å
268A96.9Very high96.8Very high0 Ų042.1 Ų42.10%023%0.23CC..THydrogen-bonded Turntrans-103.512.9-176.400000113.6L239 Y245 V248 I260 T266 S270 L271 A272L239-A268 HydrophobicContact CD1-CB 3.55Å; Y245-A268 HydrophobicContact CD2-CB 4.31Å; Y245-A268 HydrophobicContact CE2-CB 4.03Å; V248-A268 HydrophobicContact CB-CB 4.46Å; V248-A268 HydrophobicContact CG1-CB 3.7Å; I260-A268 HydrophobicContact CD1-CB 4.16Å; T266-A268 PolarHBondContact O-N 3.17Å; T266-A268 PolarHBondContact OG1-N 2.99Å; A268-S270 PolarHBondContact O-N 3.12Å; A268-L271 HydrophobicContact CB-CD1 4.39Å; A268-L271 PolarHBondContact O-N 3.08Å; A268-A272 PolarHBondContact O-N 3.43Å
269D97.6Very high96.6Very high49 Ų4944 Ų4426%0.26224%0.24SC..G310 helixtrans-56-36.7-177.1-75.1-10.4000112.3K265 T266 L271 A272 K275K265-D269 WeakPolarHBondContact CA-OD2 3.3Å; T266-D269 WeakPolarHBondContact CB-OD1 3.5Å; T266-D269 VanDerWaalsContact N-CG 3.35Å; T266-D269 PolarHBondContact N-OD1 3.5Å; T266-D269 VanDerWaalsContact N-OD1 3.16Å; T266-D269 PolarHBondContact N-OD2 3Å; T266-D269 VanDerWaalsContact O-CG 3.25Å; T266-D269 PolarHBondContact O-N 2.94Å; T266-D269 PolarHBondContact OG1-N 2.87Å; T266-D269 PolarHBondContact OG1-OD1 2.77Å; D269-L271 VanDerWaalsContact C-N 3.29Å; D269-L271 PolarHBondContact O-N 3.39Å; D269-A272 PolarHBondContact O-N 3.44Å; D269-K275 WeakPolarHBondContact OD1-CD 3.23Å; D269-K275 WeakPolarHBondContact OD1-CE 3.21Å; D269-K275 IonicContact OD1-NZ 2.83Å; D269-K275 PolarHBondContact OD1-NZ 3.28Å; D269-K275 IonicContact OD2-NZ 2.99Å; D269-K275 PolarHBondContact OD2-NZ 3.39Å
270S97.2Very high96.5Very high107 Ų10744.1 Ų44.175%0.74824%0.241SC*.G310 helixtrans-74.7-14177.459.20000114.6A268A268-S270 PolarHBondContact O-N 3.12Å
271L98.1Very high96.4Very high21 Ų2144.1 Ų44.111%0.1124%0.241CC..G310 helixtrans-96.1-10.9178.4-50.9-177.1000111.8Y245 Y252 I258 A268 D269Y245-L271 HydrophobicContact CE2-CD1 4.27Å; Y252-L271 HydrophobicContact CD1-CD2 3.97Å; Y252-L271 HydrophobicContact CD2-CB 4.02Å; Y252-L271 HydrophobicContact CD2-CD2 4.02Å; Y252-L271 HydrophobicContact CE1-CD2 4.05Å; Y252-L271 HydrophobicContact CE2-CD2 4.1Å; Y252-L271 HydrophobicContact CG-CB 4.29Å; Y252-L271 HydrophobicContact CG-CD2 3.95Å; Y252-L271 HydrophobicContact CG-CG 4.47Å; I258-L271 HydrophobicContact CD1-CB 4.35Å; A268-L271 HydrophobicContact CB-CD1 4.39Å; A268-L271 PolarHBondContact O-N 3.08Å; D269-L271 VanDerWaalsContact C-N 3.29Å; D269-L271 PolarHBondContact O-N 3.39Å
272A97.7Very high96.3Very high25 Ų2549.2 Ų49.221%0.20727%0.267CS..  trans-77.2132.6-174.100000111.6I258 I260 A268 D269 L274I258-A272 CarbonylContact O-C 3.4Å; I260-A272 HydrophobicContact CD1-CB 3.72Å; I260-A272 HydrophobicContact CG1-CB 3.89Å; A268-A272 PolarHBondContact O-N 3.43Å; D269-A272 PolarHBondContact O-N 3.44Å; A272-L274 VanDerWaalsContact C-N 3.32Å
273S97.8Very high96.3Very high74 Ų7448.8 Ų48.852%0.51726%0.264SS..SBendtrans-70.6-31168.4-48.30000111.9P257 I258P257-S273 WeakPolarHBondContact CA-OG 3.48Å; I258-S273 PolarHBondContact N-OG 3.38Å; I258-S273 VanDerWaalsContact N-OG 3.17Å; I258-S273 WeakPolarHBondContact O-CB 3.14Å; I258-S273 PolarHBondContact O-N 2.71Å
274L97.7Very high96.5Very high21 Ų2144.9 Ų44.911%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-156.3139.5174.9-178.170.7000109.5L19 K22 L23 I258 F259 I260 A272L19-L274 HydrophobicContact CD2-CD1 3.72Å; K22-L274 HydrophobicContact CB-CD2 4.42Å; K22-L274 HydrophobicContact CD-CD1 4.4Å; K22-L274 HydrophobicContact CG-CD2 4.28Å; L23-L274 HydrophobicContact CB-CD2 3.83Å; L23-L274 HydrophobicContact CD1-CD2 4.31Å; I258-L274 PolarHBondContact O-N 3.11Å; F259-L274 WeakPolarHBondContact CA-O 3.29Å; F259-L274 HydrophobicContact CD1-CB 4.01Å; F259-L274 HydrophobicContact CE1-CB 4.48Å; I260-L274 PolarHBondContact N-O 2.96Å; A272-L274 VanDerWaalsContact C-N 3.32Å
275K97.3Very high96.7Very high46 Ų4646.8 Ų46.820%0.225%0.25CS..EExtended strand (participates in β ladder)trans-126.1132.4173.4-179.7178.3178.6-176.20110.8I260 G264 D269I260-K275 HydrophobicContact CB-CB 4.34Å; I260-K275 HydrophobicContact CB-CG 4.12Å; I260-K275 HydrophobicContact CG2-CG 4.22Å; I260-K275 CarbonylContact O-C 3.45Å; I260-K275 VanDerWaalsContact O-CA 3.3Å; I260-K275 WeakPolarHBondContact O-CA 3.31Å; G264-K275 PolarHBondContact O-NZ 3.24Å; D269-K275 WeakPolarHBondContact OD1-CD 3.23Å; D269-K275 WeakPolarHBondContact OD1-CE 3.21Å; D269-K275 IonicContact OD1-NZ 2.83Å; D269-K275 PolarHBondContact OD1-NZ 3.28Å; D269-K275 IonicContact OD2-NZ 2.99Å; D269-K275 PolarHBondContact OD2-NZ 3.39Å
276V97.6Very high96.7Very high1 Ų140.3 Ų40.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-110.5113.6169.7-175.30000108.4L19 I20 L23 I260 V261 N262 A278 V283L19-V276 HydrophobicContact CB-CG2 4.14Å; I20-V276 HydrophobicContact CG1-CG1 3.84Å; L23-V276 HydrophobicContact CB-CG2 4.28Å; L23-V276 HydrophobicContact CD2-CG2 3.95Å; I260-V276 PolarHBondContact O-N 3.12Å; V261-V276 WeakPolarHBondContact CA-O 3.36Å; V261-V276 HydrophobicContact CG2-CB 4.33Å; N262-V276 PolarHBondContact N-O 3.35Å; V276-A278 HydrophobicContact CG1-CB 4.11Å; V276-A278 PolarHBondContact O-N 2.92Å; V276-A278 VanDerWaalsContact O-N 3.17Å; V276-V283 HydrophobicContact CG1-CG2 3.96Å
277E95.6Very high96.6Very high106 Ų10643.4 Ų43.450%0.49524%0.243SC..  trans-85.287.5177.2-172.2165.9138.300111.1K16 N262K16-E277 WeakPolarHBondContact CE-O 3.44Å; K16-E277 PolarHBondContact NZ-O 3.33Å; N262-E277 WeakPolarHBondContact O-CA 3.38Å
278A95.3Very high96.6Very high9 Ų939.9 Ų39.97%0.07423%0.234CC..SBendtrans-157.8170.2-17800000112.5K16 V276 C280 V283K16-A278 HydrophobicContact CD-CB 4.12Å; V276-A278 HydrophobicContact CG1-CB 4.11Å; V276-A278 PolarHBondContact O-N 2.92Å; V276-A278 VanDerWaalsContact O-N 3.17Å; A278-C280 PolarHBondContact O-N 2.93Å; A278-V283 HydrophobicContact CB-CG2 3.55Å
279N95.1Very high96.6Very high40 Ų4041.9 Ų41.921%0.21425%0.246CC..  trans-61.8130.6169.5169-80.3000110.2D44 G281 M282 V283D44-N279 VanDerWaalsContact CG-ND2 3.26Å; D44-N279 PolarHBondContact OD1-ND2 3.29Å; D44-N279 PolarHBondContact OD2-ND2 3.13Å; D44-N279 PolarHBondContact OD2-OD1 3Å; N279-G281 PolarHBondContact O-N 3.23Å; N279-G281 WeakPolarHBondContact OD1-CA 3.36Å; N279-G281 PolarHBondContact OD1-N 3.19Å; N279-M282 HydrophobicContact CB-CB 4.35Å; N279-M282 HydrophobicContact CB-CG 4.23Å; N279-M282 PolarHBondContact O-N 3.03Å; N279-M282 PolarHBondContact OD1-N 3.45Å; N279-V283 PolarHBondContact O-N 3.09Å
280C97.6Very high96.6Very high4 Ų441.6 Ų41.63%0.02725%0.245CC..Hα-helixtrans-62.4-43.6-174-56.80000112.4L41 G236 V261 A278 M282 V283 L284L41-C280 HydrophobicContact CD1-CB 3.57Å; G236-C280 VanDerWaalsContact CA-SG 3.53Å; G236-C280 PolarHBondContact N-SG 3.5Å; V261-C280 PolarHBondContact O-SG 3.39Å; A278-C280 PolarHBondContact O-N 2.93Å; C280-M282 PolarHBondContact O-N 3.14Å; C280-V283 PolarHBondContact O-N 2.79Å; C280-L284 WeakPolarHBondContact O-CB 3.47Å; C280-L284 VanDerWaalsContact O-CG 3.26Å; C280-L284 WeakPolarHBondContact O-CG 3.43Å; C280-L284 PolarHBondContact O-N 3.45Å
281G96.1Very high96.5Very high1 Ų137.7 Ų37.71%0.0122%0.216CC..Hα-helixtrans-59.8-46.4179.500000112.1R99 N279 S285R99-G281 VanDerWaalsContact CD-C 3.49Å; R99-G281 WeakPolarHBondContact CD-O 3.48Å; R99-G281 VanDerWaalsContact CG-CA 3.45Å; N279-G281 PolarHBondContact O-N 3.23Å; N279-G281 WeakPolarHBondContact OD1-CA 3.36Å; N279-G281 PolarHBondContact OD1-N 3.19Å; G281-S285 WeakPolarHBondContact O-CB 3.46Å; G281-S285 PolarHBondContact O-N 3.44Å; G281-S285 PolarHBondContact O-OG 3.24Å
282M95.8Very high96.4Very high108 Ų10838.8 Ų38.853%0.53222%0.222SC..Hα-helixtrans-58.5-46.2176-74.1-61.7-57.400112.5R99 N279 C280 S286R99-M282 VanDerWaalsContact NH1-CG 3.31Å; R99-M282 PolarHBondContact NH1-SD 2.95Å; N279-M282 HydrophobicContact CB-CB 4.35Å; N279-M282 HydrophobicContact CB-CG 4.23Å; N279-M282 PolarHBondContact O-N 3.03Å; N279-M282 PolarHBondContact OD1-N 3.45Å; C280-M282 PolarHBondContact O-N 3.14Å; M282-S286 PolarHBondContact O-N 2.67Å; M282-S286 PolarHBondContact O-OG 2.78Å
283V97.6Very high96.4Very high1 Ų139.7 Ų39.71%0.00622%0.223CC..Hα-helixtrans-65.9-52.8-179.7173.60000110.2I20 L23 V261 V276 A278 N279 C280 S285 S286 L287I20-V283 HydrophobicContact CD1-CG2 4.1Å; I20-V283 HydrophobicContact CG1-CG1 4.28Å; I20-V283 HydrophobicContact CG1-CG2 4.21Å; I20-V283 HydrophobicContact CG2-CG1 4.46Å; L23-V283 HydrophobicContact CD2-CG1 3.98Å; V261-V283 HydrophobicContact CG1-CB 3.86Å; V261-V283 HydrophobicContact CG1-CG1 4.08Å; V261-V283 HydrophobicContact CG1-CG2 3.74Å; V261-V283 HydrophobicContact CG2-CG1 3.96Å; V276-V283 HydrophobicContact CG1-CG2 3.96Å; A278-V283 HydrophobicContact CB-CG2 3.55Å; N279-V283 PolarHBondContact O-N 3.09Å; C280-V283 PolarHBondContact O-N 2.79Å; V283-S285 VanDerWaalsContact C-N 3.3Å; V283-S285 PolarHBondContact O-N 3.22Å; V283-S286 WeakPolarHBondContact O-CA 3.42Å; V283-S286 WeakPolarHBondContact O-CB 3.28Å; V283-S286 PolarHBondContact O-N 3.2Å; V283-L287 HydrophobicContact CG1-CD1 4.16Å; V283-L287 HydrophobicContact CG1-CG 4.49Å; V283-L287 WeakPolarHBondContact O-CG 3.28Å; V283-L287 PolarHBondContact O-N 3.49Å
284L97.7Very high96.3Very high1 Ų137.2 Ų37.21%0.00520%0.202CC..Hα-helixtrans-59.9-38.1-177.7-70.1173.8000112.8L41 V103 L104 W107 L233 L235 C280 S286 L287L41-L284 HydrophobicContact CD1-CD1 4.4Å; V103-L284 HydrophobicContact CB-CB 4.17Å; V103-L284 HydrophobicContact CG1-CB 3.96Å; V103-L284 HydrophobicContact CG2-CB 4.49Å; L104-L284 HydrophobicContact CG-CD1 4.23Å; W107-L284 HydrophobicContact CH2-CD2 3.69Å; W107-L284 HydrophobicContact CZ2-CD2 4.42Å; W107-L284 HydrophobicContact CZ3-CD2 3.86Å; L233-L284 HydrophobicContact CD2-CD2 4.3Å; L235-L284 HydrophobicContact CD1-CD1 3.9Å; L235-L284 HydrophobicContact CD1-CD2 4.36Å; L235-L284 HydrophobicContact CD2-CD2 4.35Å; C280-L284 WeakPolarHBondContact O-CB 3.47Å; C280-L284 VanDerWaalsContact O-CG 3.26Å; C280-L284 WeakPolarHBondContact O-CG 3.43Å; C280-L284 PolarHBondContact O-N 3.45Å; L284-S286 PolarHBondContact O-N 3.22Å; L284-L287 HydrophobicContact CD2-CD1 4.45Å; L284-L287 PolarHBondContact O-N 3.46Å
285S95.5Very high96.1Very high65 Ų6538.5 Ų38.546%0.45521%0.209SC..THydrogen-bonded Turntrans-71.1-10.7176.1-61.40000114.1R99 G281 V283R99-S285 VanDerWaalsContact CD-OG 3.28Å; R99-S285 WeakPolarHBondContact CD-OG 3.27Å; G281-S285 WeakPolarHBondContact O-CB 3.46Å; G281-S285 PolarHBondContact O-N 3.44Å; G281-S285 PolarHBondContact O-OG 3.24Å; V283-S285 VanDerWaalsContact C-N 3.3Å; V283-S285 PolarHBondContact O-N 3.22Å
286S94.6Very high96.1Very high44 Ų4437.8 Ų37.831%0.30821%0.21SC..THydrogen-bonded Turntrans-99.4-3.3179.1-57.10000113.5M282 V283 L284M282-S286 PolarHBondContact O-N 2.67Å; M282-S286 PolarHBondContact O-OG 2.78Å; V283-S286 WeakPolarHBondContact O-CA 3.42Å; V283-S286 WeakPolarHBondContact O-CB 3.28Å; V283-S286 PolarHBondContact O-N 3.2Å; L284-S286 PolarHBondContact O-N 3.22Å
287L94.2Very high95.9Very high74 Ų7441.2 Ų41.239%0.38723%0.229SC..  trans-99.50-176.2-68.5178.7000112.1I20 L23 L27 W107 V283 L284I20-L287 HydrophobicContact CG2-CD2 3.83Å; I20-L287 HydrophobicContact CG2-CG 4.44Å; I20-L287 WeakPolarHBondContact O-CD2 3.46Å; L23-L287 HydrophobicContact CD2-CD1 4.09Å; L23-L287 HydrophobicContact CG-CD1 4.33Å; L27-L287 HydrophobicContact CD1-CD1 3.97Å; W107-L287 HydrophobicContact CH2-CB 4.13Å; W107-L287 HydrophobicContact CH2-CD1 3.77Å; W107-L287 HydrophobicContact CZ2-CB 3.79Å; W107-L287 HydrophobicContact CZ2-CD1 4.29Å; V283-L287 HydrophobicContact CG1-CD1 4.16Å; V283-L287 HydrophobicContact CG1-CG 4.49Å; V283-L287 WeakPolarHBondContact O-CG 3.28Å; V283-L287 PolarHBondContact O-N 3.49Å; L284-L287 HydrophobicContact CD2-CD1 4.45Å; L284-L287 PolarHBondContact O-N 3.46Å

Retrieved 287 of 287 residues in 89.8 ms (Link to these results)

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