A0A087YKG2_POEFO Loading...

Guanine nucleotide-binding protein subunit alpha

Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems.

AlphaFold DB , UniProt , Accession A0A087YKG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 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
1M43.1Very low66.6Low251 Ų251116.4 Ų116.4100%1.23671%0.705SS**  089.50-78.1-172.4-112.900108.3
2A43.5Very low68.2Low104 Ų104114.3 Ų114.386%0.8668%0.682SS**  trans-96.1101.217300000107.5C4A2-C4 PolarHBondContact O-N 3.14Å
3G52.3Low69.7Low70 Ų70112.1 Ų112.172%0.72267%0.67SS**  trans-72.8103.117100000108.4C5G3-C5 PolarHBondContact O-N 3.21Å
4C53.3Low71.1Confident121 Ų121113.7 Ų113.782%0.81866%0.664SS**  trans-67.8100.2176.4-1580000108.4A2 V6A2-C4 PolarHBondContact O-N 3.14Å; C4-V6 PolarHBondContact O-N 2.89Å
5C64.3Low72.5Confident121 Ų121117.5 Ų117.582%0.81866%0.663SS**  trans-72.194.7175.2-72.40000109G3 S7G3-C5 PolarHBondContact O-N 3.21Å; C5-S7 PolarHBondContact O-N 3.29Å
6V69.1Low73.6Confident77 Ų77115.9 Ų115.947%0.46765%0.651SS.*  trans-53.3122.7170.7-175.50000108.7C4 D10 R11C4-V6 PolarHBondContact O-N 2.89Å; V6-D10 HydrophobicContact CG1-CB 3.39Å; V6-R11 HydrophobicContact CG1-CG 4.01Å; V6-R11 PolarHBondContact O-NE 3.18Å
7S79.8Confident74.7Confident48 Ų48113.4 Ų113.434%0.33664%0.636SS.*  trans-63.1159.1-175.675.30000111C5 E9 D10 R11C5-S7 PolarHBondContact O-N 3.29Å; S7-E9 PolarHBondContact O-N 3.47Å; S7-D10 WeakPolarHBondContact CB-OD2 3.5Å; S7-D10 PolarHBondContact N-OD2 3.37Å; S7-D10 PolarHBondContact O-N 2.99Å; S7-D10 PolarHBondContact OG-N 2.83Å; S7-D10 VanDerWaalsContact OG-N 3.1Å; S7-D10 PolarHBondContact OG-OD2 3.12Å; S7-R11 WeakPolarHBondContact O-CG 3.49Å; S7-R11 PolarHBondContact O-N 3.06Å
8A77.9Confident75.7Confident85 Ų85111.4 Ų111.470%0.70262%0.624SS**Hα-helixtrans-59.9-32.5177.300000111.9R11 E12A8-R11 PolarHBondContact O-N 2.82Å; A8-E12 PolarHBondContact O-N 2.94Å; A8-E12 VanDerWaalsContact O-N 3.1Å
9E81.1Confident76.6Confident154 Ų154108.8 Ų108.872%0.7262%0.618SS**Hα-helixtrans-69.9-40.5177.1-162.7170.2-171.200111.9S7 R11 E12 T13S7-E9 PolarHBondContact O-N 3.47Å; E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 2.94Å; E9-E12 PolarHBondContact O-N 3.31Å; E9-T13 WeakPolarHBondContact O-CB 3.39Å; E9-T13 PolarHBondContact O-N 2.85Å; E9-T13 PolarHBondContact O-OG1 2.96Å
10D83.7Confident77.4Confident90 Ų90107.8 Ų107.848%0.48161%0.609SS.*Hα-helixtrans-66.1-35173.8-64.4-42.2000112V6 S7 K14V6-D10 HydrophobicContact CG1-CB 3.39Å; S7-D10 WeakPolarHBondContact CB-OD2 3.5Å; S7-D10 PolarHBondContact N-OD2 3.37Å; S7-D10 PolarHBondContact O-N 2.99Å; S7-D10 PolarHBondContact OG-N 2.83Å; S7-D10 VanDerWaalsContact OG-N 3.1Å; S7-D10 PolarHBondContact OG-OD2 3.12Å; D10-K14 WeakPolarHBondContact O-CB 3.48Å; D10-K14 PolarHBondContact O-N 3.4Å
11R84.2Confident78.2Confident159 Ų159108 Ų10860%0.661%0.605SS**Hα-helixtrans-67.7-40.1175.7-69.9-179.8-170.9-167.3-1.1112V6 S7 A8 E9 R15V6-R11 HydrophobicContact CG1-CG 4.01Å; V6-R11 PolarHBondContact O-NE 3.18Å; S7-R11 WeakPolarHBondContact O-CG 3.49Å; S7-R11 PolarHBondContact O-N 3.06Å; A8-R11 PolarHBondContact O-N 2.82Å; E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 2.94Å; R11-R15 WeakPolarHBondContact O-CG 3.48Å; R11-R15 PolarHBondContact O-N 3.28Å; R11-R15 VanDerWaalsContact O-N 3.08Å
12E86.6Confident80.5Confident91 Ų9199.3 Ų99.343%0.42556%0.562SS.*Hα-helixtrans-71-42.1177.5-169.759.6-163.500111.3A8 E9 K14 R15 I16A8-E12 PolarHBondContact O-N 2.94Å; A8-E12 VanDerWaalsContact O-N 3.1Å; E9-E12 PolarHBondContact O-N 3.31Å; E12-K14 VanDerWaalsContact C-N 3.28Å; E12-K14 PolarHBondContact O-N 3.15Å; E12-R15 WeakPolarHBondContact O-CB 3.44Å; E12-R15 PolarHBondContact O-N 2.87Å; E12-R15 VanDerWaalsContact O-N 3.12Å; E12-R15 IonicContact OE2-NH1 3.65Å; E12-I16 HydrophobicContact CG-CD1 4.27Å; E12-I16 WeakPolarHBondContact O-CG1 3.43Å; E12-I16 PolarHBondContact O-N 2.66Å
13T86.8Confident82.8Confident86 Ų8698.9 Ų98.953%0.52854%0.542SS..Hα-helixtrans-57.9-42.5173.4-55.40000111.3E9 I16 N17E9-T13 WeakPolarHBondContact O-CB 3.39Å; E9-T13 PolarHBondContact O-N 2.85Å; E9-T13 PolarHBondContact O-OG1 2.96Å; T13-I16 PolarHBondContact O-N 3.19Å; T13-N17 WeakPolarHBondContact O-CB 3.34Å; T13-N17 PolarHBondContact O-N 3.45Å
14K89.4Confident84.6Confident135 Ų135100.6 Ų100.659%0.58753%0.534SS*.Hα-helixtrans-63.6-42.2175.6-171.7176.2-179.6179.80112.4D10 E12 N17 D18D10-K14 WeakPolarHBondContact O-CB 3.48Å; D10-K14 PolarHBondContact O-N 3.4Å; E12-K14 VanDerWaalsContact C-N 3.28Å; E12-K14 PolarHBondContact O-N 3.15Å; K14-N17 PolarHBondContact O-N 3.09Å; K14-D18 WeakPolarHBondContact O-CB 3.46Å; K14-D18 PolarHBondContact O-N 2.95Å
15R91.8Very high86.2Confident170 Ų170102.7 Ų102.764%0.64253%0.525SS*.Hα-helixtrans-62-43.6175.8-76.6174.8175175.5-3.8112.5R11 E12 N17 D18 A19R11-R15 WeakPolarHBondContact O-CG 3.48Å; R11-R15 PolarHBondContact O-N 3.28Å; R11-R15 VanDerWaalsContact O-N 3.08Å; E12-R15 WeakPolarHBondContact O-CB 3.44Å; E12-R15 PolarHBondContact O-N 2.87Å; E12-R15 VanDerWaalsContact O-N 3.12Å; E12-R15 IonicContact OE2-NH1 3.65Å; R15-N17 VanDerWaalsContact C-N 3.34Å; R15-D18 PolarHBondContact O-N 3.03Å; R15-A19 WeakPolarHBondContact O-CB 3.36Å; R15-A19 PolarHBondContact O-N 2.77Å
16I91.3Very high87.1Confident92 Ų92103.4 Ų103.447%0.47251%0.51SS..Hα-helixtrans-62.5-45.4176.4-66.8168.4000109.7E12 T13 A19 I20E12-I16 HydrophobicContact CG-CD1 4.27Å; E12-I16 WeakPolarHBondContact O-CG1 3.43Å; E12-I16 PolarHBondContact O-N 2.66Å; T13-I16 PolarHBondContact O-N 3.19Å; I16-A19 PolarHBondContact O-N 2.92Å; I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.45Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.34Å; I16-I20 PolarHBondContact O-N 3.04Å
17N92.5Very high87.8Confident74 Ų74103.3 Ų103.340%0.39651%0.507SS..Hα-helixtrans-62-45.7177.2-169.464.6000112.2T13 K14 R15 A19 I20 E21T13-N17 WeakPolarHBondContact O-CB 3.34Å; T13-N17 PolarHBondContact O-N 3.45Å; K14-N17 PolarHBondContact O-N 3.09Å; R15-N17 VanDerWaalsContact C-N 3.34Å; N17-A19 VanDerWaalsContact C-N 3.29Å; N17-A19 PolarHBondContact O-N 3.5Å; N17-I20 PolarHBondContact O-N 3.15Å; N17-E21 PolarHBondContact ND2-OE1 3.46Å; N17-E21 WeakPolarHBondContact O-CG 3.47Å; N17-E21 PolarHBondContact O-N 2.75Å
18D92.8Very high87.9Confident78 Ų78107.3 Ų107.342%0.41752%0.518SS..Hα-helixtrans-61.5-37.7177.2-66.7-14.7000111.2K14 R15 E22K14-D18 WeakPolarHBondContact O-CB 3.46Å; K14-D18 PolarHBondContact O-N 2.95Å; R15-D18 PolarHBondContact O-N 3.03Å; D18-E22 WeakPolarHBondContact O-CB 3.29Å; D18-E22 PolarHBondContact O-N 2.8Å
19A92.5Very high87.9Confident62 Ų62108.6 Ų108.651%0.51251%0.508SS..Hα-helixtrans-68-40.7175.500000112.4R15 I16 N17 E22 Q23R15-A19 WeakPolarHBondContact O-CB 3.36Å; R15-A19 PolarHBondContact O-N 2.77Å; I16-A19 PolarHBondContact O-N 2.92Å; N17-A19 VanDerWaalsContact C-N 3.29Å; N17-A19 PolarHBondContact O-N 3.5Å; A19-E22 PolarHBondContact O-N 3.09Å; A19-Q23 WeakPolarHBondContact O-CB 3.34Å; A19-Q23 PolarHBondContact O-N 3.46Å
20I92.9Very high87.7Confident88 Ų88104.6 Ų104.645%0.45149%0.492SS..Hα-helixtrans-64.5-45.2174.6-68.9166.6000110.3I16 N17 E22 Q23 L24I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.45Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.34Å; I16-I20 PolarHBondContact O-N 3.04Å; N17-I20 PolarHBondContact O-N 3.15Å; I20-E22 VanDerWaalsContact C-N 3.34Å; I20-E22 PolarHBondContact O-N 2.88Å; I20-Q23 PolarHBondContact O-N 3.07Å; I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 HydrophobicContact CG2-CG 4.25Å; I20-L24 WeakPolarHBondContact O-CB 3.5Å; I20-L24 VanDerWaalsContact O-CG 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.3Å; I20-L24 PolarHBondContact O-N 3.29Å
21E92.6Very high87.4Confident112 Ų112104.2 Ų104.252%0.52350%0.496SS..Hα-helixtrans-61.5-41.8177.9-78.1-174.9-16500112N17 Q23 L24 R25N17-E21 PolarHBondContact ND2-OE1 3.46Å; N17-E21 WeakPolarHBondContact O-CG 3.47Å; N17-E21 PolarHBondContact O-N 2.75Å; E21-Q23 VanDerWaalsContact C-N 3.35Å; E21-L24 PolarHBondContact O-N 3.22Å; E21-R25 WeakPolarHBondContact O-CB 3.35Å; E21-R25 PolarHBondContact O-N 3.39Å
22E92.6Very high87Confident68 Ų68104.6 Ų104.632%0.31850%0.498SS..Hα-helixtrans-67.4-36.7176.7-173.260.5-170.700111.7D18 A19 I20 R25 R26D18-E22 WeakPolarHBondContact O-CB 3.29Å; D18-E22 PolarHBondContact O-N 2.8Å; A19-E22 PolarHBondContact O-N 3.09Å; I20-E22 VanDerWaalsContact C-N 3.34Å; I20-E22 PolarHBondContact O-N 2.88Å; E22-R25 PolarHBondContact O-N 2.96Å; E22-R25 IonicContact OE1-CZ 2.68Å; E22-R25 IonicContact OE1-NE 3.21Å; E22-R25 IonicContact OE1-NH2 3.34Å; E22-R25 PolarHBondContact OE1-NH2 2.93Å; E22-R25 IonicContact OE2-CZ 2.92Å; E22-R25 IonicContact OE2-NE 2.93Å; E22-R25 PolarHBondContact OE2-NE 3.25Å; E22-R25 IonicContact OE2-NH2 3.56Å; E22-R25 PolarHBondContact OE2-NH2 3.44Å; E22-R26 WeakPolarHBondContact O-CG 3.47Å; E22-R26 PolarHBondContact O-N 3.31Å; E22-R26 VanDerWaalsContact O-N 3.1Å; E22-R26 IonicContact OE1-NE 2.9Å; E22-R26 IonicContact OE1-NH2 2.65Å
23Q90.7Very high86.7Confident95 Ų95105.4 Ų105.444%0.44450%0.497SS..Hα-helixtrans-64.1-48.8172.6-172.961.935.400111.3A19 I20 E21 R25 R26 D27A19-Q23 WeakPolarHBondContact O-CB 3.34Å; A19-Q23 PolarHBondContact O-N 3.46Å; I20-Q23 PolarHBondContact O-N 3.07Å; E21-Q23 VanDerWaalsContact C-N 3.35Å; Q23-R25 PolarHBondContact O-N 2.92Å; Q23-R26 WeakPolarHBondContact O-CB 3.31Å; Q23-R26 PolarHBondContact O-N 3.21Å; Q23-D27 PolarHBondContact NE2-OD1 3.24Å; Q23-D27 VanDerWaalsContact O-CG 3.26Å; Q23-D27 PolarHBondContact O-N 3.41Å
24L89.9Confident86.7Confident106 Ų106103.8 Ų103.856%0.55548%0.483SS*.Hα-helixtrans-58.9-36.3177-72.9172.5000112.1I20 E21 K28I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 HydrophobicContact CG2-CG 4.25Å; I20-L24 WeakPolarHBondContact O-CB 3.5Å; I20-L24 VanDerWaalsContact O-CG 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.3Å; I20-L24 PolarHBondContact O-N 3.29Å; E21-L24 PolarHBondContact O-N 3.22Å; L24-K28 VanDerWaalsContact O-CB 3.23Å; L24-K28 WeakPolarHBondContact O-CB 3.17Å; L24-K28 PolarHBondContact O-N 3.17Å
25R87.1Confident86.7Confident166 Ų16697.5 Ų97.563%0.62646%0.456SS*.Hα-helixtrans-67.1-38.4176.5-165.8176.274.9121.64.8111.9E21 E22 Q23 K29E21-R25 WeakPolarHBondContact O-CB 3.35Å; E21-R25 PolarHBondContact O-N 3.39Å; E22-R25 PolarHBondContact O-N 2.96Å; E22-R25 IonicContact OE1-CZ 2.68Å; E22-R25 IonicContact OE1-NE 3.21Å; E22-R25 IonicContact OE1-NH2 3.34Å; E22-R25 PolarHBondContact OE1-NH2 2.93Å; E22-R25 IonicContact OE2-CZ 2.92Å; E22-R25 IonicContact OE2-NE 2.93Å; E22-R25 PolarHBondContact OE2-NE 3.25Å; E22-R25 IonicContact OE2-NH2 3.56Å; E22-R25 PolarHBondContact OE2-NH2 3.44Å; Q23-R25 PolarHBondContact O-N 2.92Å; R25-K29 PolarHBondContact O-N 2.93Å
26R84.1Confident86.7Confident135 Ų13590.7 Ų90.751%0.50943%0.431SS..Hα-helixtrans-67-50.6173.8-70.4174.1-171.51803111E22 Q23 K28 K29 D30E22-R26 WeakPolarHBondContact O-CG 3.47Å; E22-R26 PolarHBondContact O-N 3.31Å; E22-R26 VanDerWaalsContact O-N 3.1Å; E22-R26 IonicContact OE1-NE 2.9Å; E22-R26 IonicContact OE1-NH2 2.65Å; Q23-R26 WeakPolarHBondContact O-CB 3.31Å; Q23-R26 PolarHBondContact O-N 3.21Å; R26-K28 VanDerWaalsContact C-N 3.26Å; R26-K28 PolarHBondContact O-N 2.96Å; R26-K29 WeakPolarHBondContact O-CA 3.35Å; R26-K29 WeakPolarHBondContact O-CB 3.43Å; R26-K29 PolarHBondContact O-N 3.29Å; R26-D30 PolarHBondContact O-N 3.19Å
27D83.2Confident86.8Confident75 Ų7586.3 Ų86.340%0.40141%0.409SS..Hα-helixtrans-58.1-40.4179.4-62.5-12.4000111.4Q23 K29 D30 S31Q23-D27 PolarHBondContact NE2-OD1 3.24Å; Q23-D27 VanDerWaalsContact O-CG 3.26Å; Q23-D27 PolarHBondContact O-N 3.41Å; D27-K29 VanDerWaalsContact C-N 3.32Å; D27-K29 PolarHBondContact O-N 3.04Å; D27-D30 PolarHBondContact O-N 3.42Å; D27-S31 WeakPolarHBondContact O-CB 3.43Å; D27-S31 PolarHBondContact O-N 3.02Å
28K81.9Confident86.9Confident132 Ų13282.8 Ų82.857%0.57439%0.39SS*.Hα-helixtrans-65.4-33.3175-173174.3-175.1173.30113L24 R26 R32L24-K28 VanDerWaalsContact O-CB 3.23Å; L24-K28 WeakPolarHBondContact O-CB 3.17Å; L24-K28 PolarHBondContact O-N 3.17Å; R26-K28 VanDerWaalsContact C-N 3.26Å; R26-K28 PolarHBondContact O-N 2.96Å; K28-R32 VanDerWaalsContact O-CG 3.28Å; K28-R32 WeakPolarHBondContact O-CG 3.29Å; K28-R32 PolarHBondContact O-N 2.94Å
29K79.2Confident87Confident112 Ų11279.1 Ų79.149%0.48737%0.37SS..Hα-helixtrans-73.2-41.1176.8-177-174.2173.1-169.10110.9R25 R26 D27 R32R25-K29 PolarHBondContact O-N 2.93Å; R26-K29 WeakPolarHBondContact O-CA 3.35Å; R26-K29 WeakPolarHBondContact O-CB 3.43Å; R26-K29 PolarHBondContact O-N 3.29Å; D27-K29 VanDerWaalsContact C-N 3.32Å; D27-K29 PolarHBondContact O-N 3.04Å; K29-R32 PolarHBondContact O-N 3.46Å
30D76.3Confident87.2Confident70 Ų7076.1 Ų76.137%0.37435%0.345SS..Hα-helixtrans-74.1-40.7-178.4-65-14.6000110.9R26 D27 R32 R33 E34 I195R26-D30 PolarHBondContact O-N 3.19Å; D27-D30 PolarHBondContact O-N 3.42Å; D30-R32 PolarHBondContact O-N 3.44Å; D30-R33 CarbonylContact O-C 3.53Å; D30-R33 WeakPolarHBondContact O-CA 3.18Å; D30-R33 PolarHBondContact O-N 2.99Å; D30-E34 PolarHBondContact O-N 3.3Å; D30-E34 VanDerWaalsContact O-N 3.12Å; D30-I195 HydrophobicContact CB-CD1 4.12Å
31S76.4Confident87.3Confident82 Ų8272 Ų7257%0.57332%0.324SS*.Hα-helixtrans-57.9-33.2172.1174.20000112.7D27 R33 E34D27-S31 WeakPolarHBondContact O-CB 3.43Å; D27-S31 PolarHBondContact O-N 3.02Å; S31-R33 PolarHBondContact O-N 3.49Å; S31-E34 PolarHBondContact O-N 2.86Å
32R75.8Confident87.3Confident168 Ų16866.9 Ų66.963%0.63430%0.3SS*.THydrogen-bonded Turntrans-72.8-7.4173.9-79.5176.8175.6-167.1-2.8114.3K28 K29 D30 F351K28-R32 VanDerWaalsContact O-CG 3.28Å; K28-R32 WeakPolarHBondContact O-CG 3.29Å; K28-R32 PolarHBondContact O-N 2.94Å; K29-R32 PolarHBondContact O-N 3.46Å; D30-R32 PolarHBondContact O-N 3.44Å; R32-F351 VanDerWaalsContact O-CD1 3.24Å; R32-F351 WeakPolarHBondContact O-CD1 3.47Å; R32-F351 WeakPolarHBondContact O-CE1 3.38Å
33R81.4Confident87.2Confident108 Ų10864.7 Ų64.741%0.40830%0.297SS..THydrogen-bonded Turntrans-116.92.6177.6-61.5173-176.1-160.4-9.2111.5D30 S31 V194 I195D30-R33 CarbonylContact O-C 3.53Å; D30-R33 WeakPolarHBondContact O-CA 3.18Å; D30-R33 PolarHBondContact O-N 2.99Å; S31-R33 PolarHBondContact O-N 3.49Å; R33-V194 WeakPolarHBondContact O-CG1 3.4Å; R33-I195 PolarHBondContact O-N 3.16Å
34E86.7Confident87.1Confident52 Ų5262.6 Ų62.624%0.24329%0.287CS..EExtended strand (participates in β ladder)trans-88.3126.1-178.1-167.1178.396.800110.3D30 S31 I195 R197D30-E34 PolarHBondContact O-N 3.3Å; D30-E34 VanDerWaalsContact O-N 3.12Å; S31-E34 PolarHBondContact O-N 2.86Å; E34-I195 CarbonylContact C-O 3.57Å; E34-I195 VanDerWaalsContact CA-O 3.26Å; E34-I195 WeakPolarHBondContact CA-O 3.37Å; E34-I195 HydrophobicContact CG-CB 4.48Å; E34-I195 HydrophobicContact CG-CG2 4.31Å; E34-R197 HydrophobicContact CG-CB 4Å; E34-R197 WeakPolarHBondContact OE1-CD 3.24Å; E34-R197 IonicContact OE1-CZ 3.29Å; E34-R197 IonicContact OE1-NE 2.74Å; E34-R197 PolarHBondContact OE1-NE 3.13Å; E34-R197 IonicContact OE2-CZ 2.82Å; E34-R197 VanDerWaalsContact OE2-CZ 3.28Å; E34-R197 IonicContact OE2-NE 3.7Å; E34-R197 PolarHBondContact OE2-NE 3.43Å; E34-R197 IonicContact OE2-NH2 2.62Å; E34-R197 PolarHBondContact OE2-NH2 2.88Å
35L88.8Confident87.3Confident2 Ų257.6 Ų57.61%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-106.8112.9171.5-56.6-175.2000109V194 I195 F196 R197 T219 I343 L344 F351L35-V194 HydrophobicContact CB-CG1 4.42Å; L35-V194 HydrophobicContact CD1-CG1 3.51Å; L35-V194 HydrophobicContact CG-CG1 3.53Å; L35-I195 PolarHBondContact N-O 3.3Å; L35-F196 HydrophobicContact CB-CD1 4.02Å; L35-F196 HydrophobicContact CB-CE1 4.12Å; L35-F196 HydrophobicContact CD1-CD1 4.43Å; L35-F196 HydrophobicContact CD1-CE1 3.76Å; L35-F196 HydrophobicContact CD1-CZ 3.89Å; L35-R197 PolarHBondContact O-N 2.72Å; L35-T219 WeakPolarHBondContact CA-OG1 3.44Å; L35-T219 HydrophobicContact CB-CG2 4.4Å; L35-T219 HydrophobicContact CD2-CG2 3.91Å; L35-I343 HydrophobicContact CD1-CG2 3.83Å; L35-L344 HydrophobicContact CD1-CD2 4.13Å; L35-F351 HydrophobicContact CD2-CD2 4.49Å; L35-F351 HydrophobicContact CD2-CE1 4.41Å; L35-F351 HydrophobicContact CD2-CE2 3.34Å; L35-F351 HydrophobicContact CD2-CZ 3.3Å
36K91.8Very high87.7Confident28 Ų2850 Ų5012%0.12223%0.234CC..EExtended strand (participates in β ladder)trans-87.1115179.4-172.7177179.5-179.50109.9R197 V199 C214 E216 V218 T219 S220K36-R197 WeakPolarHBondContact CA-O 3.13Å; K36-V199 HydrophobicContact CG-CG2 4.05Å; K36-C214 WeakPolarHBondContact CE-O 3.46Å; K36-C214 PolarHBondContact NZ-O 2.86Å; K36-E216 PolarHBondContact NZ-O 3.27Å; K36-V218 HydrophobicContact CD-CG2 4.09Å; K36-V218 HydrophobicContact CG-CG2 4.42Å; K36-T219 PolarHBondContact N-OG1 2.82Å; K36-T219 VanDerWaalsContact N-OG1 3.1Å; K36-T219 WeakPolarHBondContact O-CB 3.38Å; K36-T219 PolarHBondContact O-N 3.11Å; K36-S220 PolarHBondContact O-N 3.4Å
37L93.4Very high88.2Confident0 Ų044.1 Ų44.10%021%0.212CC..EExtended strand (participates in β ladder)trans-105114.5177.1-55-174.8000109.4F196 R197 M198 V199 S220 I222 F336 I343L37-F196 HydrophobicContact CD1-CD1 3.52Å; L37-F196 HydrophobicContact CD1-CE1 4.01Å; L37-F196 HydrophobicContact CD2-CD1 4.38Å; L37-F196 HydrophobicContact CG-CD1 3.93Å; L37-F196 HydrophobicContact CG-CE1 4.49Å; L37-R197 PolarHBondContact N-O 2.91Å; L37-M198 HydrophobicContact CB-CG 4.04Å; L37-M198 HydrophobicContact CD1-CE 3.71Å; L37-M198 HydrophobicContact CD1-CG 4.2Å; L37-M198 CarbonylContact O-C 3.57Å; L37-M198 WeakPolarHBondContact O-CA 3.29Å; L37-V199 PolarHBondContact O-N 3.41Å; L37-S220 WeakPolarHBondContact CA-O 3.37Å; L37-I222 HydrophobicContact CD1-CD1 4.33Å; L37-F336 HydrophobicContact CD1-CE2 4.3Å; L37-F336 HydrophobicContact CD1-CZ 4.43Å; L37-I343 HydrophobicContact CD1-CD1 4.29Å; L37-I343 HydrophobicContact CD2-CD1 3.66Å
38L95.2Very high88.7Confident0 Ų042.1 Ų42.10%021%0.205CC..EExtended strand (participates in β ladder)trans-96.4120.5-179.7-17861.5000110.3L40 V199 V201 C214 F215 V218 S220 I221 I222 F259L38-L40 HydrophobicContact CD1-CD2 4.26Å; L38-L40 HydrophobicContact CD2-CD1 3.97Å; L38-L40 HydrophobicContact CD2-CD2 4.06Å; L38-L40 HydrophobicContact CD2-CG 4.11Å; L38-L40 HydrophobicContact CG-CD1 4.29Å; L38-L40 HydrophobicContact CG-CD2 3.92Å; L38-L40 HydrophobicContact CG-CG 3.91Å; L38-V199 HydrophobicContact CD1-CB 3.84Å; L38-V199 HydrophobicContact CD1-CG1 3.86Å; L38-V201 HydrophobicContact CD1-CG1 4.39Å; L38-C214 HydrophobicContact CD1-CB 4.5Å; L38-C214 WeakPolarHBondContact CD1-SG 3.39Å; L38-F215 HydrophobicContact CD2-CD1 3.59Å; L38-F215 HydrophobicContact CD2-CE1 3.64Å; L38-V218 HydrophobicContact CB-CG1 3.68Å; L38-V218 HydrophobicContact CB-CG2 4.05Å; L38-V218 HydrophobicContact CD2-CG2 4.05Å; L38-S220 PolarHBondContact N-O 3.12Å; L38-I221 WeakPolarHBondContact O-CA 3.29Å; L38-I222 PolarHBondContact O-N 2.92Å; L38-F259 HydrophobicContact CD2-CE1 3.98Å; L38-F259 HydrophobicContact CD2-CZ 3.68Å
39L95.4Very high89.3Confident0 Ų037.2 Ų37.20%019%0.185CC..EExtended strand (participates in β ladder)trans-91.4118.9177.7-70.176.8000109.6K47 F50 I51 M198 V199 V201 I222L39-K47 HydrophobicContact CB-CB 4.42Å; L39-K47 HydrophobicContact CB-CD 4.29Å; L39-K47 HydrophobicContact CB-CG 4.27Å; L39-K47 HydrophobicContact CD2-CB 4.32Å; L39-F50 HydrophobicContact CD2-CB 4.45Å; L39-F50 HydrophobicContact CD2-CD1 3.78Å; L39-I51 HydrophobicContact CD2-CD1 3.87Å; L39-I51 HydrophobicContact CD2-CG1 3.62Å; L39-M198 HydrophobicContact CD1-CB 3.84Å; L39-M198 HydrophobicContact CD1-CG 4.02Å; L39-M198 HydrophobicContact CD1-SD 4.25Å; L39-V199 PolarHBondContact N-O 2.94Å; L39-V201 WeakPolarHBondContact O-CG2 3.4Å; L39-I222 WeakPolarHBondContact CA-O 3.44Å
40L95.6Very high90.1Very high0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-125.2160.1179.9-61.2178.9000110.8L38 V201 W211 I221 I222 F223 L224 I253 F259L38-L40 HydrophobicContact CD1-CD2 4.26Å; L38-L40 HydrophobicContact CD2-CD1 3.97Å; L38-L40 HydrophobicContact CD2-CD2 4.06Å; L38-L40 HydrophobicContact CD2-CG 4.11Å; L38-L40 HydrophobicContact CG-CD1 4.29Å; L38-L40 HydrophobicContact CG-CD2 3.92Å; L38-L40 HydrophobicContact CG-CG 3.91Å; L40-V201 HydrophobicContact CD2-CG2 3.67Å; L40-W211 HydrophobicContact CD2-CD2 4.04Å; L40-W211 HydrophobicContact CD2-CE3 3.71Å; L40-W211 HydrophobicContact CD2-CH2 4.18Å; L40-W211 HydrophobicContact CD2-CZ2 4.48Å; L40-W211 HydrophobicContact CD2-CZ3 3.78Å; L40-I221 HydrophobicContact CB-CG2 4.48Å; L40-I221 HydrophobicContact CD1-CG2 3.86Å; L40-I221 HydrophobicContact CG-CG2 4.27Å; L40-I222 PolarHBondContact N-O 3.35Å; L40-F223 HydrophobicContact CB-CD2 3.83Å; L40-F223 HydrophobicContact CB-CE2 4.3Å; L40-F223 CarbonylContact O-C 3.52Å; L40-F223 WeakPolarHBondContact O-CA 3.33Å; L40-L224 PolarHBondContact O-N 3.25Å; L40-I253 HydrophobicContact CD1-CD1 3.75Å; L40-I253 HydrophobicContact CD1-CG1 3.95Å; L40-I253 HydrophobicContact CD1-CG2 3.71Å; L40-F259 HydrophobicContact CD1-CE2 4.35Å; L40-F259 HydrophobicContact CD1-CZ 4.47Å
41G95.2Very high90.9Very high0 Ų029.5 Ų29.50%015%0.149CC..  trans146.1164.5-179.600000111.3K47 G203G41-K47 PolarHBondContact O-NZ 3.38Å; G41-G203 WeakPolarHBondContact O-CA 3.3Å
42T93.2Very high91.7Very high5 Ų526.7 Ų26.73%0.03113%0.127CC..SBendtrans-58.7167.3177.147.70000112.3S45 K47 E245 L249T42-S45 WeakPolarHBondContact O-CB 3.45Å; T42-S45 PolarHBondContact O-N 2.98Å; T42-S45 PolarHBondContact O-OG 2.95Å; T42-K47 PolarHBondContact O-NZ 2.87Å; T42-E245 HydrophobicContact CG2-CG 4.15Å; T42-L249 HydrophobicContact CG2-CD2 4.2Å
43G89.1Confident92.7Very high23 Ų2318.7 Ų18.724%0.23710%0.097CC..THydrogen-bonded Turntrans-52146.3169.200000110.6S45 G203G43-S45 PolarHBondContact O-N 2.84Å; G43-G203 PolarHBondContact N-O 3.49Å
44E89.6Confident93.2Very high51 Ų5113.6 Ų13.624%0.2388%0.077CC..THydrogen-bonded Turntrans63.63.7175.9-55165.1-152.800116.9G46 R178 R242 K270E44-G46 PolarHBondContact O-N 3.23Å; E44-G46 VanDerWaalsContact O-N 3.08Å; E44-R178 VanDerWaalsContact CD-CZ 3.44Å; E44-R178 IonicContact OE1-CZ 2.7Å; E44-R178 IonicContact OE1-NH1 2.76Å; E44-R178 PolarHBondContact OE1-NH1 2.96Å; E44-R178 IonicContact OE1-NH2 2.91Å; E44-R178 PolarHBondContact OE1-NH2 3.08Å; E44-R178 IonicContact OE2-NH1 3.04Å; E44-R242 IonicContact OE1-NH1 2.8Å; E44-R242 IonicContact OE1-NH2 3.46Å; E44-R242 PolarHBondContact OE1-NH2 3.32Å; E44-R242 IonicContact OE2-CZ 3.81Å; E44-R242 IonicContact OE2-NH1 2.84Å; E44-R242 PolarHBondContact OE2-NH1 3.25Å; E44-R242 IonicContact OE2-NH2 2.74Å; E44-R242 PolarHBondContact OE2-NH2 3.49Å; E44-K270 WeakPolarHBondContact O-CE 3.32Å; E44-K270 PolarHBondContact O-NZ 3.29Å
45S94.4Very high93.4Very high0 Ų014.2 Ų14.20%08%0.077CC..SBendtrans-62.4-13.5175.649.90000115.5T42 G43 K47 L224 N269T42-S45 WeakPolarHBondContact O-CB 3.45Å; T42-S45 PolarHBondContact O-N 2.98Å; T42-S45 PolarHBondContact O-OG 2.95Å; G43-S45 PolarHBondContact O-N 2.84Å; S45-K47 PolarHBondContact OG-NZ 3.11Å; S45-L224 WeakPolarHBondContact CB-O 3.4Å; S45-N269 PolarHBondContact O-ND2 3.01Å
46G94.8Very high93.7Very high8 Ų815.7 Ų15.78%0.0829%0.085CC..SBendtrans103.416.1177.200000116E44 T49 F50 L224E44-G46 PolarHBondContact O-N 3.23Å; E44-G46 VanDerWaalsContact O-N 3.08Å; G46-T49 WeakPolarHBondContact O-CB 3.13Å; G46-T49 PolarHBondContact O-N 3.35Å; G46-F50 PolarHBondContact O-N 2.89Å; G46-L224 VanDerWaalsContact C-CD2 3.44Å
47K94.6Very high93.6Very high10 Ų1015.4 Ų15.44%0.0439%0.085CC..Hα-helixtrans-55.7-55.9-179.9-67.9-176.9-66.4-65.70112.5L39 G41 T42 S45 T49 F50 I51 D200 V201 L224L39-K47 HydrophobicContact CB-CB 4.42Å; L39-K47 HydrophobicContact CB-CD 4.29Å; L39-K47 HydrophobicContact CB-CG 4.27Å; L39-K47 HydrophobicContact CD2-CB 4.32Å; G41-K47 PolarHBondContact O-NZ 3.38Å; T42-K47 PolarHBondContact O-NZ 2.87Å; S45-K47 PolarHBondContact OG-NZ 3.11Å; K47-T49 VanDerWaalsContact C-N 3.26Å; K47-T49 PolarHBondContact O-N 2.58Å; K47-F50 WeakPolarHBondContact O-CB 3.42Å; K47-F50 PolarHBondContact O-N 2.67Å; K47-F50 VanDerWaalsContact O-N 3.11Å; K47-I51 PolarHBondContact O-N 2.9Å; K47-I51 VanDerWaalsContact O-N 3.11Å; K47-D200 VanDerWaalsContact CB-OD1 3.3Å; K47-D200 WeakPolarHBondContact CB-OD1 3.32Å; K47-V201 WeakPolarHBondContact CE-O 3.45Å; K47-L224 HydrophobicContact CG-CD1 4.08Å; K47-L224 HydrophobicContact CG-CD2 4.28Å
48S93.9Very high93.4Very high34 Ų3418.3 Ų18.324%0.23810%0.098CC..Hα-helixtrans-66-31.7-178.8-450000111.7I51 K52 T181 D200S48-I51 PolarHBondContact O-N 3.17Å; S48-K52 VanDerWaalsContact O-CG 3.27Å; S48-K52 WeakPolarHBondContact O-CG 3.14Å; S48-K52 PolarHBondContact O-N 3.33Å; S48-T181 PolarHBondContact OG-OG1 2.69Å; S48-D200 WeakPolarHBondContact CA-OD2 3.34Å; S48-D200 WeakPolarHBondContact CB-OD2 3.34Å; S48-D200 PolarHBondContact OG-OD2 2.99Å
49T95.4Very high92.9Very high28 Ų2819.8 Ų19.817%0.17211%0.113CC..Hα-helixtrans-63.7-42.3173.5-49.20000111.1G46 K47 I51 K52 Q53 L175 A326G46-T49 WeakPolarHBondContact O-CB 3.13Å; G46-T49 PolarHBondContact O-N 3.35Å; K47-T49 VanDerWaalsContact C-N 3.26Å; K47-T49 PolarHBondContact O-N 2.58Å; T49-I51 VanDerWaalsContact C-N 3.34Å; T49-I51 PolarHBondContact O-N 3.14Å; T49-K52 WeakPolarHBondContact O-CB 3.21Å; T49-K52 PolarHBondContact O-N 3.22Å; T49-Q53 WeakPolarHBondContact O-CG 3.13Å; T49-Q53 PolarHBondContact O-N 3.46Å; T49-L175 HydrophobicContact CG2-CB 4.35Å; T49-L175 HydrophobicContact CG2-CD2 4.08Å; T49-L175 WeakPolarHBondContact CG2-O 3.2Å; T49-A326 HydrophobicContact CG2-CB 3.73Å; T49-A326 WeakPolarHBondContact CG2-O 3.36Å
50F95.3Very high92.5Very high1 Ų123.7 Ų23.70%0.00415%0.153CC..Hα-helixtrans-62.3-39.3174.4-176-101.5000112.4L39 G46 K47 Q53 M54 M198 I222 L224 F267 I332 F336L39-F50 HydrophobicContact CD2-CB 4.45Å; L39-F50 HydrophobicContact CD2-CD1 3.78Å; G46-F50 PolarHBondContact O-N 2.89Å; K47-F50 WeakPolarHBondContact O-CB 3.42Å; K47-F50 PolarHBondContact O-N 2.67Å; K47-F50 VanDerWaalsContact O-N 3.11Å; F50-Q53 WeakPolarHBondContact O-CB 3.06Å; F50-Q53 PolarHBondContact O-N 2.95Å; F50-M54 HydrophobicContact CE1-CG 4.19Å; F50-M54 HydrophobicContact CE1-SD 4.43Å; F50-M54 HydrophobicContact CE2-CE 3.92Å; F50-M54 HydrophobicContact CZ-CE 3.9Å; F50-M54 HydrophobicContact CZ-CG 4.45Å; F50-M54 HydrophobicContact CZ-SD 4.18Å; F50-M54 WeakPolarHBondContact O-CG 3.4Å; F50-M54 PolarHBondContact O-N 3.4Å; F50-M198 HydrophobicContact CD1-SD 4.23Å; F50-M198 HydrophobicContact CE1-CE 3.57Å; F50-M198 HydrophobicContact CE1-SD 3.83Å; F50-M198 HydrophobicContact CZ-CE 4.19Å; F50-I222 HydrophobicContact CE1-CD1 3.99Å; F50-I222 HydrophobicContact CZ-CD1 4.39Å; F50-L224 HydrophobicContact CB-CD2 4.38Å; F50-F267 HydrophobicContact CD2-CD2 4.38Å; F50-F267 AromaticContact CD2-CE2 3.86Å; F50-F267 HydrophobicContact CD2-CE2 3.86Å; F50-F267 HydrophobicContact CE1-CE2 4.23Å; F50-F267 HydrophobicContact CE2-CD2 4.33Å; F50-F267 AromaticContact CE2-CE2 3.4Å; F50-F267 HydrophobicContact CE2-CE2 3.4Å; F50-F267 VanDerWaalsContact CE2-CE2 3.4Å; F50-F267 HydrophobicContact CE2-CZ 4.1Å; F50-F267 HydrophobicContact CG-CE2 4.46Å; F50-F267 AromaticContact CZ-CE2 3.62Å; F50-F267 HydrophobicContact CZ-CE2 3.62Å; F50-F267 HydrophobicContact CZ-CZ 4.18Å; F50-I332 HydrophobicContact CD2-CD1 4.05Å; F50-I332 HydrophobicContact CD2-CG2 3.97Å; F50-I332 HydrophobicContact CE2-CD1 4.3Å; F50-I332 HydrophobicContact CE2-CG2 3.73Å; F50-F336 AromaticContact CZ-CD2 3.78Å; F50-F336 HydrophobicContact CZ-CD2 3.78Å; F50-F336 HydrophobicContact CZ-CE2 4.26Å
51I92.9Very high92.3Very high20 Ų2024.4 Ų24.410%0.10316%0.161CC..Hα-helixtrans-65.4-42.7174.7-67.3174.5000111.8L39 K47 S48 T49 Q53 M54 R55 Y187 D200L39-I51 HydrophobicContact CD2-CD1 3.87Å; L39-I51 HydrophobicContact CD2-CG1 3.62Å; K47-I51 PolarHBondContact O-N 2.9Å; K47-I51 VanDerWaalsContact O-N 3.11Å; S48-I51 PolarHBondContact O-N 3.17Å; T49-I51 VanDerWaalsContact C-N 3.34Å; T49-I51 PolarHBondContact O-N 3.14Å; I51-Q53 PolarHBondContact O-N 2.67Å; I51-M54 WeakPolarHBondContact O-CB 3.38Å; I51-M54 PolarHBondContact O-N 3.28Å; I51-R55 PolarHBondContact O-N 2.98Å; I51-Y187 HydrophobicContact CG2-CD1 4.45Å; I51-Y187 HydrophobicContact CG2-CG 4.12Å; I51-D200 HydrophobicContact CD1-CB 3.28Å
52K94.3Very high92.2Very high23 Ų2325.4 Ų25.410%0.117%0.165CC..Hα-helixtrans-57.4-39.8173.5-67172.3179.9179.20111S48 T49 R55 I56 Y62 I174 L175 V177S48-K52 VanDerWaalsContact O-CG 3.27Å; S48-K52 WeakPolarHBondContact O-CG 3.14Å; S48-K52 PolarHBondContact O-N 3.33Å; T49-K52 WeakPolarHBondContact O-CB 3.21Å; T49-K52 PolarHBondContact O-N 3.22Å; K52-R55 WeakPolarHBondContact O-CB 3.4Å; K52-R55 PolarHBondContact O-N 3.08Å; K52-I56 WeakPolarHBondContact O-CG1 3.44Å; K52-I56 PolarHBondContact O-N 2.7Å; K52-I56 VanDerWaalsContact O-N 3.11Å; K52-Y62 WeakPolarHBondContact CA-OH 3.42Å; K52-Y62 WeakPolarHBondContact CB-OH 2.96Å; K52-Y62 VanDerWaalsContact CG-OH 3.29Å; K52-Y62 WeakPolarHBondContact CG-OH 3.46Å; K52-I174 HydrophobicContact CD-CG2 4.33Å; K52-I174 VanDerWaalsContact CD-O 3.29Å; K52-I174 WeakPolarHBondContact CD-O 3.44Å; K52-I174 WeakPolarHBondContact CE-O 3.49Å; K52-I174 PolarHBondContact NZ-O 2.96Å; K52-L175 HydrophobicContact CB-CD2 3.89Å; K52-V177 PolarHBondContact NZ-O 3.24Å
53Q95.2Very high92.4Very high0 Ų028.8 Ų28.80%019%0.186CC..Hα-helixtrans-62.8-41173.9-69.4-73.415.700112.4T49 F50 I51 R55 I56 I57 L175 A326 T329 I332T49-Q53 WeakPolarHBondContact O-CG 3.13Å; T49-Q53 PolarHBondContact O-N 3.46Å; F50-Q53 WeakPolarHBondContact O-CB 3.06Å; F50-Q53 PolarHBondContact O-N 2.95Å; I51-Q53 PolarHBondContact O-N 2.67Å; Q53-R55 VanDerWaalsContact C-N 3.28Å; Q53-R55 PolarHBondContact O-N 2.83Å; Q53-I56 WeakPolarHBondContact O-CB 3.35Å; Q53-I56 PolarHBondContact O-N 2.8Å; Q53-I57 HydrophobicContact CB-CD1 4.27Å; Q53-I57 WeakPolarHBondContact O-CB 3.38Å; Q53-I57 VanDerWaalsContact O-CG1 3.25Å; Q53-I57 WeakPolarHBondContact O-CG1 3.31Å; Q53-I57 PolarHBondContact O-N 3.44Å; Q53-L175 HydrophobicContact CG-CD2 3.69Å; Q53-L175 VanDerWaalsContact NE2-CD1 3.34Å; Q53-A326 VanDerWaalsContact CG-O 3.28Å; Q53-A326 WeakPolarHBondContact CG-O 3.28Å; Q53-A326 PolarHBondContact NE2-O 3.26Å; Q53-T329 PolarHBondContact NE2-OG1 2.84Å; Q53-T329 PolarHBondContact OE1-OG1 3.39Å; Q53-I332 HydrophobicContact CB-CB 4.42Å; Q53-I332 HydrophobicContact CB-CG2 3.79Å; Q53-I332 HydrophobicContact CG-CB 4.37Å; Q53-I332 HydrophobicContact CG-CG1 4.2Å; Q53-I332 HydrophobicContact CG-CG2 4.22Å
54M92.2Very high92.8Very high0 Ų031.6 Ų31.60%020%0.195CC..Hα-helixtrans-62.9-37176.3-64.7-61.5102.600112.3F50 I51 I56 I57 H58 G59 Y187 F189 M198 I332 F336F50-M54 HydrophobicContact CE1-CG 4.19Å; F50-M54 HydrophobicContact CE1-SD 4.43Å; F50-M54 HydrophobicContact CE2-CE 3.92Å; F50-M54 HydrophobicContact CZ-CE 3.9Å; F50-M54 HydrophobicContact CZ-CG 4.45Å; F50-M54 HydrophobicContact CZ-SD 4.18Å; F50-M54 WeakPolarHBondContact O-CG 3.4Å; F50-M54 PolarHBondContact O-N 3.4Å; I51-M54 WeakPolarHBondContact O-CB 3.38Å; I51-M54 PolarHBondContact O-N 3.28Å; M54-I56 VanDerWaalsContact C-N 3.29Å; M54-I56 PolarHBondContact O-N 3.17Å; M54-I57 HydrophobicContact CE-CD1 4.07Å; M54-I57 PolarHBondContact O-N 3.25Å; M54-H58 WeakPolarHBondContact O-CA 3.31Å; M54-H58 PolarHBondContact O-N 3.31Å; M54-G59 PolarHBondContact O-N 3.36Å; M54-G59 VanDerWaalsContact O-N 3.14Å; M54-Y187 HydrophobicContact CB-CD1 4.49Å; M54-Y187 HydrophobicContact CB-CE1 4.26Å; M54-F189 HydrophobicContact CB-CE1 4.38Å; M54-F189 HydrophobicContact CG-CE1 4.5Å; M54-F189 HydrophobicContact SD-CZ 4.4Å; M54-M198 HydrophobicContact CB-SD 4.3Å; M54-M198 HydrophobicContact CG-CE 3.56Å; M54-M198 HydrophobicContact CG-SD 3.53Å; M54-M198 VanDerWaalsContact CG-SD 3.53Å; M54-M198 HydrophobicContact SD-CE 3.72Å; M54-M198 HydrophobicContact SD-SD 4.49Å; M54-I332 HydrophobicContact CE-CG2 3.48Å; M54-I332 VanDerWaalsContact CE-CG2 3.48Å; M54-F336 HydrophobicContact CE-CB 4.2Å; M54-F336 HydrophobicContact CE-CD2 4.3Å; M54-F336 HydrophobicContact CE-CG 4.07Å; M54-F336 HydrophobicContact SD-CD1 3.98Å; M54-F336 HydrophobicContact SD-CD2 3.9Å; M54-F336 HydrophobicContact SD-CE1 4.06Å; M54-F336 HydrophobicContact SD-CE2 3.99Å; M54-F336 HydrophobicContact SD-CG 3.89Å; M54-F336 HydrophobicContact SD-CZ 4.07Å
55R91.9Very high93Very high65 Ų6536.5 Ų36.525%0.24522%0.218CC..Hα-helixtrans-62.8-35.3172.1-178.4172173179.51.2112.9I51 K52 Q53 G59 G61 Y62 D66 Y187I51-R55 PolarHBondContact O-N 2.98Å; K52-R55 WeakPolarHBondContact O-CB 3.4Å; K52-R55 PolarHBondContact O-N 3.08Å; Q53-R55 VanDerWaalsContact C-N 3.28Å; Q53-R55 PolarHBondContact O-N 2.83Å; R55-G59 CarbonylContact O-C 3.5Å; R55-G59 VanDerWaalsContact O-C 3.31Å; R55-G59 WeakPolarHBondContact O-CA 3.46Å; R55-G59 PolarHBondContact O-N 3.35Å; R55-G61 PolarHBondContact NE-O 3.29Å; R55-G61 PolarHBondContact NH2-O 3.05Å; R55-G61 WeakPolarHBondContact O-CA 3.33Å; R55-G61 PolarHBondContact O-N 3.15Å; R55-Y62 HydrophobicContact CB-CE2 4.44Å; R55-Y62 HydrophobicContact CG-CE2 4.26Å; R55-D66 IonicContact CZ-OD1 3.63Å; R55-D66 IonicContact NH1-OD1 3.61Å; R55-D66 IonicContact NH2-OD1 3.51Å; R55-D66 PolarHBondContact NH2-OD1 3.12Å; R55-D66 IonicContact NH2-OD2 3.52Å; R55-D66 PolarHBondContact NH2-OD2 3.35Å; R55-Y187 WeakPolarHBondContact CA-OH 3.4Å; R55-Y187 HydrophobicContact CB-CE1 4.39Å; R55-Y187 HydrophobicContact CB-CE2 4.29Å; R55-Y187 HydrophobicContact CG-CE2 4.48Å
56I93.4Very high93.1Very high34 Ų3438.4 Ų38.417%0.17423%0.228CC..Hα-helixtrans-73.2-44.2176.9-66.5165.4000111.7K52 Q53 M54 Y62 L171 L175 T329K52-I56 WeakPolarHBondContact O-CG1 3.44Å; K52-I56 PolarHBondContact O-N 2.7Å; K52-I56 VanDerWaalsContact O-N 3.11Å; Q53-I56 WeakPolarHBondContact O-CB 3.35Å; Q53-I56 PolarHBondContact O-N 2.8Å; M54-I56 VanDerWaalsContact C-N 3.29Å; M54-I56 PolarHBondContact O-N 3.17Å; I56-Y62 HydrophobicContact CD1-CD2 4.37Å; I56-Y62 HydrophobicContact CD1-CE2 4.06Å; I56-Y62 HydrophobicContact CG1-CD2 3.83Å; I56-Y62 HydrophobicContact CG1-CE2 3.68Å; I56-L171 HydrophobicContact CD1-CB 4.48Å; I56-L171 HydrophobicContact CD1-CD1 4.49Å; I56-L171 HydrophobicContact CD1-CD2 4.26Å; I56-L171 HydrophobicContact CG1-CD2 4.36Å; I56-L171 HydrophobicContact CG2-CD1 4.31Å; I56-L175 HydrophobicContact CD1-CD1 4.26Å; I56-L175 HydrophobicContact CD1-CD2 4.03Å; I56-L175 HydrophobicContact CD1-CG 4.17Å; I56-T329 HydrophobicContact CG2-CG2 4.21Å
57I91.6Very high93.2Very high21 Ų2140 Ų4011%0.10823%0.233CC..Hα-helixtrans-85.3-40.7-169.2-63.3169000111.6Q53 M54 T329 I332 R333Q53-I57 HydrophobicContact CB-CD1 4.27Å; Q53-I57 WeakPolarHBondContact O-CB 3.38Å; Q53-I57 VanDerWaalsContact O-CG1 3.25Å; Q53-I57 WeakPolarHBondContact O-CG1 3.31Å; Q53-I57 PolarHBondContact O-N 3.44Å; M54-I57 HydrophobicContact CE-CD1 4.07Å; M54-I57 PolarHBondContact O-N 3.25Å; I57-T329 HydrophobicContact CD1-CG2 4.14Å; I57-T329 HydrophobicContact CG1-CG2 3.87Å; I57-I332 HydrophobicContact CD1-CB 4.31Å; I57-I332 HydrophobicContact CD1-CG2 3.86Å; I57-R333 HydrophobicContact CD1-CB 4.16Å; I57-R333 HydrophobicContact CG2-CG 4.26Å
58H87.7Confident93.2Very high62 Ų6247.4 Ų47.429%0.28726%0.261SS..THydrogen-bonded Turntrans-121.3-11.8-171.8-61.8-56.1000113.8M54 F189 M191 F336M54-H58 WeakPolarHBondContact O-CA 3.31Å; M54-H58 PolarHBondContact O-N 3.31Å; H58-F189 HydrophobicContact CB-CD2 3.82Å; H58-F189 HydrophobicContact CB-CE2 4.15Å; H58-F189 HydrophobicContact CB-CG 4.46Å; H58-M191 WeakPolarHBondContact CE1-CE 3.37Å; H58-M191 WeakPolarHBondContact ND1-CE 3.38Å; H58-M191 VanDerWaalsContact NE2-CE 3.32Å; H58-M191 WeakPolarHBondContact NE2-CE 3.36Å; H58-F336 AromaticContact CD2-CD1 3.89Å; H58-F336 AromaticContact CD2-CE1 3.99Å; H58-F336 AromaticContact NE2-CD1 3.35Å; H58-F336 WeakPolarHBondContact NE2-CD1 3.31Å; H58-F336 AromaticContact NE2-CE1 3.81Å
59G84.8Confident93.3Very high30 Ų3049 Ų4931%0.30927%0.271SS..SBendtrans-96.6-168.6174.600000113.4M54 R55 G61M54-G59 PolarHBondContact O-N 3.36Å; M54-G59 VanDerWaalsContact O-N 3.14Å; R55-G59 CarbonylContact O-C 3.5Å; R55-G59 VanDerWaalsContact O-C 3.31Å; R55-G59 WeakPolarHBondContact O-CA 3.46Å; R55-G59 PolarHBondContact O-N 3.35Å; G59-G61 PolarHBondContact O-N 3.12Å
60G86.7Confident93.4Very high82 Ų8249.5 Ų49.585%0.84527%0.27SS*.  trans-76.39.117300000114.6
61G91.1Very high93.4Very high16 Ų1650.1 Ų50.117%0.16528%0.276CS..  trans65.9-151.6-174.600000113.5R55 G59R55-G61 PolarHBondContact NE-O 3.29Å; R55-G61 PolarHBondContact NH2-O 3.05Å; R55-G61 WeakPolarHBondContact O-CA 3.33Å; R55-G61 PolarHBondContact O-N 3.15Å; G59-G61 PolarHBondContact O-N 3.12Å
62Y95.1Very high93.6Very high21 Ų2152.9 Ų52.98%0.08229%0.287CS..  trans-117.9118.1177.9-68.3-86.5000109.3K52 R55 I56 D66 K67 Y70 L171 I174K52-Y62 WeakPolarHBondContact CA-OH 3.42Å; K52-Y62 WeakPolarHBondContact CB-OH 2.96Å; K52-Y62 VanDerWaalsContact CG-OH 3.29Å; K52-Y62 WeakPolarHBondContact CG-OH 3.46Å; R55-Y62 HydrophobicContact CB-CE2 4.44Å; R55-Y62 HydrophobicContact CG-CE2 4.26Å; I56-Y62 HydrophobicContact CD1-CD2 4.37Å; I56-Y62 HydrophobicContact CD1-CE2 4.06Å; I56-Y62 HydrophobicContact CG1-CD2 3.83Å; I56-Y62 HydrophobicContact CG1-CE2 3.68Å; Y62-D66 HydrophobicContact CD1-CB 3.95Å; Y62-K67 WeakPolarHBondContact O-CE 3.41Å; Y62-Y70 AromaticContact CD1-CE2 3.96Å; Y62-Y70 HydrophobicContact CD1-CE2 3.96Å; Y62-Y70 AromaticContact CE1-CE2 3.73Å; Y62-Y70 HydrophobicContact CE1-CE2 3.73Å; Y62-L171 HydrophobicContact CD2-CD2 3.86Å; Y62-L171 HydrophobicContact CG-CD2 4.44Å; Y62-I174 HydrophobicContact CD1-CD1 4.18Å; Y62-I174 HydrophobicContact CD1-CG2 4.36Å; Y62-I174 HydrophobicContact CD2-CD1 4.5Å; Y62-I174 HydrophobicContact CD2-CG2 4.4Å; Y62-I174 HydrophobicContact CE1-CG2 3.97Å; Y62-I174 HydrophobicContact CE2-CG2 4.01Å; Y62-I174 HydrophobicContact CG-CD1 4.03Å
63T96.4Very high93.7Very high76 Ų7653.6 Ų53.647%0.46629%0.292SS..  trans-68.6166.1171.866.40000110.4E65 D66 K67T63-E65 PolarHBondContact O-N 3.34Å; T63-D66 WeakPolarHBondContact CB-OD2 3.42Å; T63-D66 PolarHBondContact N-OD2 2.66Å; T63-D66 WeakPolarHBondContact O-CB 3.16Å; T63-D66 PolarHBondContact O-N 3.3Å; T63-D66 VanDerWaalsContact O-N 3.17Å; T63-D66 VanDerWaalsContact OG1-CG 3.24Å; T63-D66 PolarHBondContact OG1-N 3Å; T63-D66 VanDerWaalsContact OG1-N 3.1Å; T63-D66 PolarHBondContact OG1-OD2 3.02Å; T63-K67 WeakPolarHBondContact O-CG 3.43Å; T63-K67 PolarHBondContact O-N 3.36Å
64D96.5Very high93.9Very high81 Ų8153.6 Ų53.643%0.43329%0.292SS..Hα-helixtrans-65.7-27.6176.1-69.5-10.2000112.5K67 R68 L168D64-K67 PolarHBondContact O-N 3.31Å; D64-K67 IonicContact OD1-NZ 3Å; D64-K67 PolarHBondContact OD1-NZ 2.92Å; D64-R68 VanDerWaalsContact O-CG 3.31Å; D64-R68 WeakPolarHBondContact O-CG 3.22Å; D64-R68 PolarHBondContact O-N 3.24Å; D64-L168 HydrophobicContact CB-CD2 4.35Å
65E95.8Very high94.2Very high155 Ų15554.5 Ų54.572%0.72430%0.296SS*.Hα-helixtrans-67.5-44.5171.2-172.9172.4-172.300111.4T63 K67 R68 S69T63-E65 PolarHBondContact O-N 3.34Å; E65-K67 VanDerWaalsContact C-N 3.34Å; E65-K67 PolarHBondContact O-N 3.16Å; E65-R68 PolarHBondContact O-N 3.34Å; E65-S69 PolarHBondContact O-N 2.9Å
66D94.9Very high94.4Very high39 Ų3952.9 Ų52.921%0.20929%0.291CS..Hα-helixtrans-57.1-49.6172.5-64.9-71.8000110.5R55 Y62 T63 R68 S69 Y70R55-D66 IonicContact CZ-OD1 3.63Å; R55-D66 IonicContact NH1-OD1 3.61Å; R55-D66 IonicContact NH2-OD1 3.51Å; R55-D66 PolarHBondContact NH2-OD1 3.12Å; R55-D66 IonicContact NH2-OD2 3.52Å; R55-D66 PolarHBondContact NH2-OD2 3.35Å; Y62-D66 HydrophobicContact CD1-CB 3.95Å; T63-D66 WeakPolarHBondContact CB-OD2 3.42Å; T63-D66 PolarHBondContact N-OD2 2.66Å; T63-D66 WeakPolarHBondContact O-CB 3.16Å; T63-D66 PolarHBondContact O-N 3.3Å; T63-D66 VanDerWaalsContact O-N 3.17Å; T63-D66 VanDerWaalsContact OG1-CG 3.24Å; T63-D66 PolarHBondContact OG1-N 3Å; T63-D66 VanDerWaalsContact OG1-N 3.1Å; T63-D66 PolarHBondContact OG1-OD2 3.02Å; D66-R68 VanDerWaalsContact C-N 3.33Å; D66-R68 PolarHBondContact O-N 3.39Å; D66-S69 WeakPolarHBondContact O-CB 3.38Å; D66-S69 PolarHBondContact O-N 3.21Å; D66-S69 PolarHBondContact O-OG 3.46Å; D66-Y70 VanDerWaalsContact O-CD2 3.22Å; D66-Y70 WeakPolarHBondContact O-CD2 3.22Å; D66-Y70 PolarHBondContact O-N 3.45Å
67K97Very high94.7Very high43 Ų4352 Ų5219%0.18729%0.287CS..Hα-helixtrans-57.5-44.5-179.2-69.9170.2-171.9166.20111.9Y62 T63 D64 E65 S69 Y70 L168 P169 I174Y62-K67 WeakPolarHBondContact O-CE 3.41Å; T63-K67 WeakPolarHBondContact O-CG 3.43Å; T63-K67 PolarHBondContact O-N 3.36Å; D64-K67 PolarHBondContact O-N 3.31Å; D64-K67 IonicContact OD1-NZ 3Å; D64-K67 PolarHBondContact OD1-NZ 2.92Å; E65-K67 VanDerWaalsContact C-N 3.34Å; E65-K67 PolarHBondContact O-N 3.16Å; K67-S69 VanDerWaalsContact C-N 3.26Å; K67-S69 PolarHBondContact O-N 3.44Å; K67-Y70 WeakPolarHBondContact O-CB 3.16Å; K67-Y70 PolarHBondContact O-N 2.82Å; K67-L168 HydrophobicContact CB-CD1 3.71Å; K67-L168 HydrophobicContact CB-CG 4.16Å; K67-L168 HydrophobicContact CD-CD2 4.27Å; K67-L168 HydrophobicContact CD-CG 4.23Å; K67-P169 WeakPolarHBondContact CD-O 3.47Å; K67-P169 WeakPolarHBondContact CG-O 3.23Å; K67-P169 WeakPolarHBondContact O-CD 3.44Å; K67-P169 VanDerWaalsContact O-CG 3.29Å; K67-P169 WeakPolarHBondContact O-CG 3.43Å; K67-I174 HydrophobicContact CB-CD1 4.29Å; K67-I174 HydrophobicContact CG-CD1 3.68Å
68R95.8Very high95Very high165 Ų16551 Ų5162%0.62328%0.282SS*.Hα-helixtrans-57.7-38.9176-75175.6-168.4152.15112.1D64 E65 D66 Y70 A71 L168D64-R68 VanDerWaalsContact O-CG 3.31Å; D64-R68 WeakPolarHBondContact O-CG 3.22Å; D64-R68 PolarHBondContact O-N 3.24Å; E65-R68 PolarHBondContact O-N 3.34Å; D66-R68 VanDerWaalsContact C-N 3.33Å; D66-R68 PolarHBondContact O-N 3.39Å; R68-Y70 PolarHBondContact O-N 3.41Å; R68-A71 VanDerWaalsContact O-CB 3.31Å; R68-A71 WeakPolarHBondContact O-CB 3.14Å; R68-A71 PolarHBondContact O-N 3.45Å; R68-L168 HydrophobicContact CG-CD1 3.58Å
69S95.1Very high95.5Very high66 Ų6648.2 Ų48.246%0.46227%0.269SS..Hα-helixtrans-63.2-23.1177.980.40000113.7E65 D66 K67E65-S69 PolarHBondContact O-N 2.9Å; D66-S69 WeakPolarHBondContact O-CB 3.38Å; D66-S69 PolarHBondContact O-N 3.21Å; D66-S69 PolarHBondContact O-OG 3.46Å; K67-S69 VanDerWaalsContact C-N 3.26Å; K67-S69 PolarHBondContact O-N 3.44Å
70Y96.9Very high96.1Very high39 Ų3949.9 Ų49.915%0.15327%0.273CS..Hα-helixtrans-83.3-15.1175-76-82.5000114Y62 D66 K67 R68 K72 L73 V74 I174 V177Y62-Y70 AromaticContact CD1-CE2 3.96Å; Y62-Y70 HydrophobicContact CD1-CE2 3.96Å; Y62-Y70 AromaticContact CE1-CE2 3.73Å; Y62-Y70 HydrophobicContact CE1-CE2 3.73Å; D66-Y70 VanDerWaalsContact O-CD2 3.22Å; D66-Y70 WeakPolarHBondContact O-CD2 3.22Å; D66-Y70 PolarHBondContact O-N 3.45Å; K67-Y70 WeakPolarHBondContact O-CB 3.16Å; K67-Y70 PolarHBondContact O-N 2.82Å; R68-Y70 PolarHBondContact O-N 3.41Å; Y70-K72 PolarHBondContact O-N 2.91Å; Y70-L73 HydrophobicContact CD1-CD1 3.78Å; Y70-L73 HydrophobicContact CE1-CD1 4.22Å; Y70-L73 WeakPolarHBondContact O-CB 3.37Å; Y70-L73 PolarHBondContact O-N 3.27Å; Y70-L73 VanDerWaalsContact O-N 3.09Å; Y70-V74 PolarHBondContact O-N 2.95Å; Y70-I174 HydrophobicContact CD1-CG1 4.45Å; Y70-I174 HydrophobicContact CD1-CG2 4.42Å; Y70-I174 HydrophobicContact CD2-CD1 3.91Å; Y70-I174 HydrophobicContact CD2-CG1 3.86Å; Y70-I174 HydrophobicContact CD2-CG2 4.28Å; Y70-I174 HydrophobicContact CE1-CG2 4.18Å; Y70-I174 HydrophobicContact CE2-CD1 4.41Å; Y70-I174 HydrophobicContact CE2-CG1 4.47Å; Y70-I174 HydrophobicContact CE2-CG2 4.09Å; Y70-I174 HydrophobicContact CG-CD1 4.4Å; Y70-I174 HydrophobicContact CG-CG1 3.86Å; Y70-I174 HydrophobicContact CG-CG2 4.46Å; Y70-V177 HydrophobicContact CD1-CG1 3.58Å; Y70-V177 HydrophobicContact CE1-CG1 3.97Å
71A96.9Very high96.7Very high14 Ų1446.2 Ų46.212%0.11623%0.234CC..Hα-helixtrans-58.4-49.6-17500000111.4R68 L73 V74 F75 Y167 P169R68-A71 VanDerWaalsContact O-CB 3.31Å; R68-A71 WeakPolarHBondContact O-CB 3.14Å; R68-A71 PolarHBondContact O-N 3.45Å; A71-L73 VanDerWaalsContact C-N 3.27Å; A71-L73 PolarHBondContact O-N 3.44Å; A71-V74 WeakPolarHBondContact O-CB 3.35Å; A71-V74 PolarHBondContact O-N 3.16Å; A71-V74 VanDerWaalsContact O-N 3.09Å; A71-F75 HydrophobicContact CB-CE2 4.26Å; A71-F75 HydrophobicContact CB-CZ 4.14Å; A71-F75 WeakPolarHBondContact O-CD1 3.48Å; A71-F75 WeakPolarHBondContact O-CD2 3.31Å; A71-F75 VanDerWaalsContact O-CG 3.24Å; A71-F75 WeakPolarHBondContact O-CG 3.4Å; A71-F75 PolarHBondContact O-N 3.28Å; A71-Y167 HydrophobicContact CB-CD1 4.27Å; A71-Y167 HydrophobicContact CB-CE1 4.14Å; A71-P169 HydrophobicContact CB-CG 3.88Å
72K96.2Very high97Very high79 Ų7945.5 Ų45.534%0.34323%0.226SC..Hα-helixtrans-59-37.6176.571-179-173.5175.30113.3Y70 V74 F75 Q76 E117Y70-K72 PolarHBondContact O-N 2.91Å; K72-V74 VanDerWaalsContact C-N 3.33Å; K72-V74 PolarHBondContact O-N 3.23Å; K72-F75 WeakPolarHBondContact O-CB 3.38Å; K72-F75 PolarHBondContact O-N 3.45Å; K72-Q76 WeakPolarHBondContact O-CB 3.32Å; K72-Q76 WeakPolarHBondContact O-CG 3.29Å; K72-Q76 PolarHBondContact O-N 3.3Å; K72-E117 WeakPolarHBondContact CD-OE2 3.14Å; K72-E117 IonicContact NZ-OE1 3.41Å; K72-E117 IonicContact NZ-OE2 3.8Å
73L97.3Very high97.2Very high37 Ų3745 Ų4519%0.19423%0.225CC..Hα-helixtrans-66.8-37.2178.8-61.1174.8000111.1Y70 A71 Q76 N77 V177 V179Y70-L73 HydrophobicContact CD1-CD1 3.78Å; Y70-L73 HydrophobicContact CE1-CD1 4.22Å; Y70-L73 WeakPolarHBondContact O-CB 3.37Å; Y70-L73 PolarHBondContact O-N 3.27Å; Y70-L73 VanDerWaalsContact O-N 3.09Å; A71-L73 VanDerWaalsContact C-N 3.27Å; A71-L73 PolarHBondContact O-N 3.44Å; L73-Q76 PolarHBondContact O-N 3.03Å; L73-N77 WeakPolarHBondContact O-CB 3.31Å; L73-N77 PolarHBondContact O-N 2.93Å; L73-N77 PolarHBondContact O-ND2 3.27Å; L73-V177 HydrophobicContact CB-CG2 3.62Å; L73-V179 HydrophobicContact CD1-CG2 3.77Å; L73-V179 HydrophobicContact CD2-CG2 4.33Å; L73-V179 HydrophobicContact CG-CG2 4.5Å
74V98.2Very high97.3Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-63.6-45.1173.21730000110.5Y70 A71 K72 Q76 N77 I78 Y155 I162 D173 V177Y70-V74 PolarHBondContact O-N 2.95Å; A71-V74 WeakPolarHBondContact O-CB 3.35Å; A71-V74 PolarHBondContact O-N 3.16Å; A71-V74 VanDerWaalsContact O-N 3.09Å; K72-V74 VanDerWaalsContact C-N 3.33Å; K72-V74 PolarHBondContact O-N 3.23Å; V74-Q76 VanDerWaalsContact C-N 3.35Å; V74-Q76 PolarHBondContact O-N 2.97Å; V74-N77 WeakPolarHBondContact O-CB 3.49Å; V74-N77 PolarHBondContact O-N 3.23Å; V74-I78 HydrophobicContact CG1-CD1 4.15Å; V74-I78 WeakPolarHBondContact O-CG1 3.45Å; V74-I78 PolarHBondContact O-N 3.39Å; V74-Y155 HydrophobicContact CB-CE1 4.44Å; V74-Y155 HydrophobicContact CG1-CD1 3.72Å; V74-Y155 HydrophobicContact CG1-CE1 3.59Å; V74-Y155 HydrophobicContact CG1-CG 4.44Å; V74-Y155 HydrophobicContact CG2-CE1 4.11Å; V74-I162 HydrophobicContact CG1-CD1 4.46Å; V74-I162 HydrophobicContact CG1-CG2 4.02Å; V74-D173 HydrophobicContact CG2-CB 4.28Å; V74-V177 HydrophobicContact CG2-CB 4.22Å; V74-V177 HydrophobicContact CG2-CG2 4.07Å
75F98Very high97.3Very high19 Ų1939.1 Ų39.18%0.08319%0.192CC..Hα-helixtrans-60.5-45.4177.5-53-25.7000111.7A71 K72 N77 I78 Y79 V116 L119 I162 Y167A71-F75 HydrophobicContact CB-CE2 4.26Å; A71-F75 HydrophobicContact CB-CZ 4.14Å; A71-F75 WeakPolarHBondContact O-CD1 3.48Å; A71-F75 WeakPolarHBondContact O-CD2 3.31Å; A71-F75 VanDerWaalsContact O-CG 3.24Å; A71-F75 WeakPolarHBondContact O-CG 3.4Å; A71-F75 PolarHBondContact O-N 3.28Å; K72-F75 WeakPolarHBondContact O-CB 3.38Å; K72-F75 PolarHBondContact O-N 3.45Å; F75-N77 VanDerWaalsContact C-N 3.31Å; F75-N77 PolarHBondContact O-N 3.15Å; F75-I78 WeakPolarHBondContact O-CB 3.33Å; F75-I78 PolarHBondContact O-N 2.82Å; F75-Y79 VanDerWaalsContact O-CD2 3.29Å; F75-Y79 WeakPolarHBondContact O-CD2 3.45Å; F75-Y79 PolarHBondContact O-N 3.41Å; F75-V116 HydrophobicContact CB-CG1 3.8Å; F75-L119 HydrophobicContact CB-CD2 3.8Å; F75-L119 HydrophobicContact CB-CG 4.08Å; F75-L119 HydrophobicContact CD1-CD1 3.5Å; F75-L119 VanDerWaalsContact CD1-CD1 3.5Å; F75-L119 HydrophobicContact CD1-CD2 3.99Å; F75-L119 HydrophobicContact CD1-CG 3.43Å; F75-L119 VanDerWaalsContact CD1-CG 3.43Å; F75-L119 HydrophobicContact CD2-CG 4.23Å; F75-L119 HydrophobicContact CE1-CD1 3.64Å; F75-L119 HydrophobicContact CE1-CG 3.79Å; F75-L119 HydrophobicContact CG-CD1 4.26Å; F75-L119 HydrophobicContact CG-CD2 3.97Å; F75-L119 HydrophobicContact CG-CG 3.66Å; F75-L119 HydrophobicContact CZ-CG 4.34Å; F75-I162 HydrophobicContact CD1-CG2 4.03Å; F75-I162 HydrophobicContact CE1-CG2 3.8Å; F75-Y167 HydrophobicContact CD1-CE1 4.49Å; F75-Y167 AromaticContact CE1-CD1 3.55Å; F75-Y167 HydrophobicContact CE1-CD1 3.55Å; F75-Y167 AromaticContact CE1-CE1 3.6Å; F75-Y167 HydrophobicContact CE1-CE1 3.6Å; F75-Y167 AromaticContact CZ-CD1 3.69Å; F75-Y167 HydrophobicContact CZ-CD1 3.69Å; F75-Y167 HydrophobicContact CZ-CE1 4.07Å
76Q97.9Very high97.5Very high31 Ų3132.5 Ų32.515%0.14516%0.161CC..Hα-helixtrans-57.6-44.3174.9-71.7174.8-6.500111.7K72 L73 V74 I78 Y79 T80 V113 V116K72-Q76 WeakPolarHBondContact O-CB 3.32Å; K72-Q76 WeakPolarHBondContact O-CG 3.29Å; K72-Q76 PolarHBondContact O-N 3.3Å; L73-Q76 PolarHBondContact O-N 3.03Å; V74-Q76 VanDerWaalsContact C-N 3.35Å; V74-Q76 PolarHBondContact O-N 2.97Å; Q76-I78 VanDerWaalsContact C-N 3.32Å; Q76-I78 PolarHBondContact O-N 3.33Å; Q76-Y79 PolarHBondContact O-N 2.95Å; Q76-T80 WeakPolarHBondContact O-CB 2.99Å; Q76-T80 PolarHBondContact O-N 3.26Å; Q76-T80 PolarHBondContact O-OG1 3.31Å; Q76-V113 HydrophobicContact CB-CG1 3.7Å; Q76-V113 HydrophobicContact CG-CG1 3.92Å; Q76-V113 WeakPolarHBondContact CG-O 3.28Å; Q76-V116 HydrophobicContact CG-CB 4.13Å; Q76-V116 PolarHBondContact NE2-O 3.35Å
77N98.1Very high97.6Very high17 Ų1737.1 Ų37.19%0.09118%0.176CC..Hα-helixtrans-62.1-37.8177.7-87.5-122.1000112.5L73 V74 F75 S81 Y155 R178L73-N77 WeakPolarHBondContact O-CB 3.31Å; L73-N77 PolarHBondContact O-N 2.93Å; L73-N77 PolarHBondContact O-ND2 3.27Å; V74-N77 WeakPolarHBondContact O-CB 3.49Å; V74-N77 PolarHBondContact O-N 3.23Å; F75-N77 VanDerWaalsContact C-N 3.31Å; F75-N77 PolarHBondContact O-N 3.15Å; N77-S81 VanDerWaalsContact O-CB 3.27Å; N77-S81 WeakPolarHBondContact O-CB 3.33Å; N77-S81 PolarHBondContact O-N 2.97Å; N77-S81 PolarHBondContact O-OG 3.28Å; N77-Y155 HydrophobicContact CB-CE2 4.33Å; N77-R178 PolarHBondContact ND2-O 2.64Å; N77-R178 VanDerWaalsContact OD1-CB 3.23Å; N77-R178 WeakPolarHBondContact OD1-CB 3.4Å; N77-R178 PolarHBondContact OD1-N 3.22Å
78I98.4Very high97.6Very high0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-63.5-51.9175.4-71.3166.1000110.4V74 F75 Q76 S81 M82 I127 Y155 L156 L159 I162V74-I78 HydrophobicContact CG1-CD1 4.15Å; V74-I78 WeakPolarHBondContact O-CG1 3.45Å; V74-I78 PolarHBondContact O-N 3.39Å; F75-I78 WeakPolarHBondContact O-CB 3.33Å; F75-I78 PolarHBondContact O-N 2.82Å; Q76-I78 VanDerWaalsContact C-N 3.32Å; Q76-I78 PolarHBondContact O-N 3.33Å; I78-S81 PolarHBondContact O-N 2.76Å; I78-M82 PolarHBondContact O-N 2.92Å; I78-I127 HydrophobicContact CG2-CD1 4.09Å; I78-I127 HydrophobicContact CG2-CG2 4.36Å; I78-Y155 HydrophobicContact CG1-CG 4.26Å; I78-L156 HydrophobicContact CG2-CD2 3.98Å; I78-L159 HydrophobicContact CD1-CD1 4.18Å; I78-L159 HydrophobicContact CG2-CD1 4.3Å; I78-I162 HydrophobicContact CD1-CD1 4.15Å; I78-I162 HydrophobicContact CD1-CG2 3.78Å
79Y98.3Very high97.7Very high3 Ų328 Ų281%0.01214%0.143CC..Hα-helixtrans-61.4-47.6178.9-77.9-67000111.9F75 Q76 S81 M82 Q83 V108 V111 V116 L119 L123 I127F75-Y79 VanDerWaalsContact O-CD2 3.29Å; F75-Y79 WeakPolarHBondContact O-CD2 3.45Å; F75-Y79 PolarHBondContact O-N 3.41Å; Q76-Y79 PolarHBondContact O-N 2.95Å; Y79-S81 VanDerWaalsContact C-N 3.3Å; Y79-S81 PolarHBondContact O-N 2.88Å; Y79-M82 PolarHBondContact O-N 3.37Å; Y79-Q83 WeakPolarHBondContact O-CB 3.29Å; Y79-Q83 VanDerWaalsContact O-CG 3.26Å; Y79-Q83 WeakPolarHBondContact O-CG 3.26Å; Y79-Q83 PolarHBondContact O-N 2.97Å; Y79-V108 HydrophobicContact CD1-CG1 4.33Å; Y79-V111 HydrophobicContact CD1-CB 4.2Å; Y79-V111 HydrophobicContact CD1-CG1 4.03Å; Y79-V111 HydrophobicContact CD1-CG2 4.11Å; Y79-V111 HydrophobicContact CD2-CG1 4.29Å; Y79-V111 HydrophobicContact CE1-CB 4.37Å; Y79-V111 HydrophobicContact CE1-CG1 4.15Å; Y79-V111 HydrophobicContact CE1-CG2 3.84Å; Y79-V111 HydrophobicContact CE2-CG1 4.38Å; Y79-V111 HydrophobicContact CG-CG1 4.11Å; Y79-V116 HydrophobicContact CD2-CG1 4.01Å; Y79-V116 HydrophobicContact CD2-CG2 3.9Å; Y79-V116 HydrophobicContact CE2-CG1 3.83Å; Y79-V116 HydrophobicContact CE2-CG2 4.04Å; Y79-L119 HydrophobicContact CD2-CD2 4.39Å; Y79-L119 HydrophobicContact CE2-CD2 3.65Å; Y79-L123 HydrophobicContact CE1-CB 4.21Å; Y79-L123 HydrophobicContact CE1-CD1 4.01Å; Y79-L123 WeakPolarHBondContact OH-CB 3.47Å; Y79-L123 WeakPolarHBondContact OH-CD1 3.44Å; Y79-I127 HydrophobicContact CD1-CD1 4.02Å; Y79-I127 HydrophobicContact CE1-CD1 3.69Å
80T97.9Very high97.8Very high65 Ų6527.7 Ų27.740%0.39915%0.15SC..Hα-helixtrans-56.3-46175.9-58.60000111.2Q76 M82 Q83 T84 V113Q76-T80 WeakPolarHBondContact O-CB 2.99Å; Q76-T80 PolarHBondContact O-N 3.26Å; Q76-T80 PolarHBondContact O-OG1 3.31Å; T80-M82 PolarHBondContact O-N 2.89Å; T80-Q83 PolarHBondContact O-N 3.02Å; T80-T84 WeakPolarHBondContact O-CB 3.43Å; T80-T84 PolarHBondContact O-N 3.24Å; T80-T84 PolarHBondContact O-OG1 3.4Å; T80-V113 WeakPolarHBondContact OG1-CG1 3.47Å
81S98.1Very high97.7Very high5 Ų531.4 Ų31.44%0.03518%0.179CC..Hα-helixtrans-60.7-48.3-179.8-62.80000111.9N77 I78 Y79 T84 M85 T152N77-S81 VanDerWaalsContact O-CB 3.27Å; N77-S81 WeakPolarHBondContact O-CB 3.33Å; N77-S81 PolarHBondContact O-N 2.97Å; N77-S81 PolarHBondContact O-OG 3.28Å; I78-S81 PolarHBondContact O-N 2.76Å; Y79-S81 VanDerWaalsContact C-N 3.3Å; Y79-S81 PolarHBondContact O-N 2.88Å; S81-T84 PolarHBondContact O-N 3.31Å; S81-M85 WeakPolarHBondContact O-CG 3.27Å; S81-M85 PolarHBondContact O-N 3.11Å; S81-M85 VanDerWaalsContact O-N 3.09Å; S81-T152 VanDerWaalsContact CB-OG1 3.25Å; S81-T152 WeakPolarHBondContact CB-OG1 3.31Å; S81-T152 PolarHBondContact OG-OG1 3.5Å
82M98.5Very high97.7Very high0 Ų032 Ų320%018%0.181CC..Hα-helixtrans-66.5-45.2-179.8-174.954.573.100111.7I78 Y79 T80 T84 M85 I86 V108 I127 L130 W131 I136 L156I78-M82 PolarHBondContact O-N 2.92Å; Y79-M82 PolarHBondContact O-N 3.37Å; T80-M82 PolarHBondContact O-N 2.89Å; M82-T84 VanDerWaalsContact C-N 3.29Å; M82-T84 PolarHBondContact O-N 2.88Å; M82-M85 HydrophobicContact CE-CE 3.81Å; M82-M85 PolarHBondContact O-N 3.15Å; M82-M85 HydrophobicContact SD-CE 3.82Å; M82-I86 HydrophobicContact CG-CD1 3.85Å; M82-I86 HydrophobicContact CG-CG1 4.44Å; M82-I86 VanDerWaalsContact O-CG1 3.29Å; M82-I86 WeakPolarHBondContact O-CG1 3.48Å; M82-I86 PolarHBondContact O-N 3.31Å; M82-I86 HydrophobicContact SD-CD1 4.25Å; M82-I86 HydrophobicContact SD-CG1 4.26Å; M82-V108 HydrophobicContact CB-CG1 4.19Å; M82-V108 HydrophobicContact CG-CG1 3.82Å; M82-I127 HydrophobicContact CE-CG2 3.87Å; M82-I127 HydrophobicContact CG-CG1 4.42Å; M82-L130 HydrophobicContact CE-CB 3.9Å; M82-L130 HydrophobicContact CG-CD1 4.18Å; M82-L130 HydrophobicContact SD-CB 3.85Å; M82-L130 HydrophobicContact SD-CD1 4.16Å; M82-W131 HydrophobicContact CE-CB 4.15Å; M82-I136 HydrophobicContact SD-CD1 4.39Å; M82-L156 HydrophobicContact CE-CD1 4.02Å; M82-L156 HydrophobicContact CE-CD2 4.21Å
83Q98.5Very high97.7Very high10 Ų1031.4 Ų31.45%0.04720%0.197CC..Hα-helixtrans-60-38.9176.3-71.7-174.3-2.200112.3Y79 T80 R87 V108 L109 V111Y79-Q83 WeakPolarHBondContact O-CB 3.29Å; Y79-Q83 VanDerWaalsContact O-CG 3.26Å; Y79-Q83 WeakPolarHBondContact O-CG 3.26Å; Y79-Q83 PolarHBondContact O-N 2.97Å; T80-Q83 PolarHBondContact O-N 3.02Å; Q83-R87 WeakPolarHBondContact O-CB 3.43Å; Q83-R87 VanDerWaalsContact O-CG 3.24Å; Q83-R87 WeakPolarHBondContact O-CG 3.31Å; Q83-R87 PolarHBondContact O-N 3.31Å; Q83-V108 HydrophobicContact CG-CG1 4.07Å; Q83-V108 PolarHBondContact NE2-O 3.17Å; Q83-L109 HydrophobicContact CB-CD2 4.2Å; Q83-L109 HydrophobicContact CG-CD2 4.23Å; Q83-V111 PolarHBondContact NE2-O 3.42Å
84T98.2Very high97.7Very high34 Ų3430.5 Ų30.521%0.20919%0.192CC..Hα-helixtrans-62.7-47.4175.3-68.80000111.6T80 S81 M82 R87 A88 Y146 Q147 L148T80-T84 WeakPolarHBondContact O-CB 3.43Å; T80-T84 PolarHBondContact O-N 3.24Å; T80-T84 PolarHBondContact O-OG1 3.4Å; S81-T84 PolarHBondContact O-N 3.31Å; M82-T84 VanDerWaalsContact C-N 3.29Å; M82-T84 PolarHBondContact O-N 2.88Å; T84-R87 PolarHBondContact O-N 3.14Å; T84-A88 WeakPolarHBondContact O-CB 3.29Å; T84-A88 PolarHBondContact O-N 3Å; T84-Y146 HydrophobicContact CG2-CD2 3.83Å; T84-Y146 HydrophobicContact CG2-CE2 4Å; T84-Q147 VanDerWaalsContact CG2-O 3.27Å; T84-Q147 WeakPolarHBondContact CG2-O 3.43Å; T84-L148 HydrophobicContact CG2-CD1 3.99Å
85M98.4Very high97.7Very high0 Ų035 Ų350%022%0.223CC..Hα-helixtrans-62.2-44.6178-68.1-173.3-60.600111.6S81 M82 R87 A88 M89 W131 I136 C139 Y140 Y146 L148 T152 L156S81-M85 WeakPolarHBondContact O-CG 3.27Å; S81-M85 PolarHBondContact O-N 3.11Å; S81-M85 VanDerWaalsContact O-N 3.09Å; M82-M85 HydrophobicContact CE-CE 3.81Å; M82-M85 PolarHBondContact O-N 3.15Å; M82-M85 HydrophobicContact SD-CE 3.82Å; M85-R87 VanDerWaalsContact C-N 3.33Å; M85-R87 PolarHBondContact O-N 3.4Å; M85-A88 PolarHBondContact O-N 3.33Å; M85-A88 VanDerWaalsContact O-N 3.14Å; M85-M89 WeakPolarHBondContact O-CG 3.43Å; M85-M89 PolarHBondContact O-N 3.1Å; M85-M89 VanDerWaalsContact O-N 3.15Å; M85-W131 HydrophobicContact CE-CE3 3.98Å; M85-W131 HydrophobicContact CE-CZ3 3.92Å; M85-W131 HydrophobicContact SD-CZ3 3.94Å; M85-I136 HydrophobicContact CB-CD1 4.43Å; M85-I136 HydrophobicContact CE-CG2 4.23Å; M85-I136 HydrophobicContact SD-CG2 4.49Å; M85-C139 PolarHBondContact O-SG 2.98Å; M85-Y140 HydrophobicContact SD-CD2 3.98Å; M85-Y146 HydrophobicContact CG-CE2 4.38Å; M85-L148 HydrophobicContact CG-CD1 3.84Å; M85-L148 HydrophobicContact CG-CD2 4.05Å; M85-L148 HydrophobicContact SD-CD2 4.12Å; M85-T152 HydrophobicContact CE-CG2 4.1Å; M85-T152 HydrophobicContact SD-CG2 4.16Å; M85-L156 HydrophobicContact CE-CD1 3.48Å; M85-L156 VanDerWaalsContact CE-CD1 3.48Å
86I98.4Very high97.7Very high16 Ų1635.8 Ų35.88%0.08223%0.227CC..Hα-helixtrans-58.2-45.8176.6-66.7162.1000110.9M82 A88 M89 A105 V108 L109 L130 I136M82-I86 HydrophobicContact CG-CD1 3.85Å; M82-I86 HydrophobicContact CG-CG1 4.44Å; M82-I86 VanDerWaalsContact O-CG1 3.29Å; M82-I86 WeakPolarHBondContact O-CG1 3.48Å; M82-I86 PolarHBondContact O-N 3.31Å; M82-I86 HydrophobicContact SD-CD1 4.25Å; M82-I86 HydrophobicContact SD-CG1 4.26Å; I86-A88 VanDerWaalsContact C-N 3.29Å; I86-A88 PolarHBondContact O-N 3.34Å; I86-M89 PolarHBondContact O-N 2.89Å; I86-A105 HydrophobicContact CD1-CB 4Å; I86-A105 HydrophobicContact CG1-CB 4.23Å; I86-A105 HydrophobicContact CG2-CB 3.94Å; I86-V108 HydrophobicContact CD1-CB 4.18Å; I86-V108 HydrophobicContact CD1-CG1 4.05Å; I86-L109 HydrophobicContact CB-CD2 4.4Å; I86-L109 HydrophobicContact CD1-CG 4.49Å; I86-L109 HydrophobicContact CG2-CD1 3.69Å; I86-L109 HydrophobicContact CG2-CD2 4.11Å; I86-L109 HydrophobicContact CG2-CG 3.98Å; I86-L130 HydrophobicContact CD1-CD1 4.11Å; I86-I136 HydrophobicContact CG1-CD1 4.24Å
87R97.8Very high97.7Very high136 Ų13638 Ų3851%0.51325%0.245SC..Hα-helixtrans-65.5-32.8178.6-71.7174-170.3125.75.9112.3Q83 T84 M85 P91 L109Q83-R87 WeakPolarHBondContact O-CB 3.43Å; Q83-R87 VanDerWaalsContact O-CG 3.24Å; Q83-R87 WeakPolarHBondContact O-CG 3.31Å; Q83-R87 PolarHBondContact O-N 3.31Å; T84-R87 PolarHBondContact O-N 3.14Å; M85-R87 VanDerWaalsContact C-N 3.33Å; M85-R87 PolarHBondContact O-N 3.4Å; R87-P91 WeakPolarHBondContact O-CD 3.46Å; R87-L109 HydrophobicContact CG-CD2 4Å
88A97.6Very high97.6Very high10 Ų1040.3 Ų40.38%0.08326%0.258CS..Hα-helixtrans-72.8-26.4179.100000113.3T84 M85 I86 G90 P91 L92 Y146T84-A88 WeakPolarHBondContact O-CB 3.29Å; T84-A88 PolarHBondContact O-N 3Å; M85-A88 PolarHBondContact O-N 3.33Å; M85-A88 VanDerWaalsContact O-N 3.14Å; I86-A88 VanDerWaalsContact C-N 3.29Å; I86-A88 PolarHBondContact O-N 3.34Å; A88-G90 VanDerWaalsContact C-N 3.32Å; A88-G90 PolarHBondContact O-N 3.08Å; A88-P91 WeakPolarHBondContact O-CD 3.46Å; A88-L92 HydrophobicContact CB-CD1 4.13Å; A88-L92 WeakPolarHBondContact O-CB 3.33Å; A88-L92 WeakPolarHBondContact O-CD1 3.41Å; A88-L92 WeakPolarHBondContact O-CG 3.36Å; A88-L92 PolarHBondContact O-N 2.89Å; A88-L92 VanDerWaalsContact O-N 3.12Å; A88-Y146 HydrophobicContact CB-CD1 3.66Å; A88-Y146 HydrophobicContact CB-CD2 3.76Å; A88-Y146 HydrophobicContact CB-CE1 3.76Å; A88-Y146 HydrophobicContact CB-CE2 3.85Å; A88-Y146 HydrophobicContact CB-CG 3.66Å
89M97.6Very high97.4Very high6 Ų645.4 Ų45.43%0.0329%0.291CS..Hα-helixtrans-56-43.4180-70.2-179.379.900113M85 I86 L92 G93 I94 F96 I136 C139M85-M89 WeakPolarHBondContact O-CG 3.43Å; M85-M89 PolarHBondContact O-N 3.1Å; M85-M89 VanDerWaalsContact O-N 3.15Å; I86-M89 PolarHBondContact O-N 2.89Å; M89-L92 PolarHBondContact O-N 3.37Å; M89-G93 PolarHBondContact O-N 3.25Å; M89-I94 HydrophobicContact CB-CB 4.31Å; M89-I94 HydrophobicContact CE-CB 4.39Å; M89-I94 HydrophobicContact CE-CG2 3.85Å; M89-I94 HydrophobicContact CG-CB 4.44Å; M89-I94 PolarHBondContact O-N 3.27Å; M89-F96 HydrophobicContact CE-CD1 3.66Å; M89-F96 HydrophobicContact CE-CE1 3.75Å; M89-F96 HydrophobicContact CE-CG 4.07Å; M89-F96 HydrophobicContact CE-CZ 4.21Å; M89-F96 HydrophobicContact SD-CD1 3.93Å; M89-F96 HydrophobicContact SD-CE1 3.35Å; M89-F96 WeakPolarHBondContact SD-CE1 3.48Å; M89-F96 HydrophobicContact SD-CE2 4.39Å; M89-F96 HydrophobicContact SD-CZ 3.6Å; M89-I136 HydrophobicContact CG-CD1 4.36Å; M89-I136 HydrophobicContact SD-CD1 3.4Å; M89-I136 WeakPolarHBondContact SD-CD1 3.43Å; M89-I136 HydrophobicContact SD-CG1 4.05Å; M89-C139 HydrophobicContact CG-CB 3.97Å
90G96.1Very high97.2Very high60 Ų6051.8 Ų51.862%0.61932%0.321SS*.Hα-helixtrans-59.1-59.8-179.200000113.4A88 L92 G93A88-G90 VanDerWaalsContact C-N 3.32Å; A88-G90 PolarHBondContact O-N 3.08Å; G90-L92 PolarHBondContact O-N 3.15Å; G90-G93 PolarHBondContact O-N 3.03Å
91P95.6Very high97.1Very high118 Ų11848.9 Ų48.977%0.76630%0.303SS*.Hα-helixtrans-57-33.2175.1-27.535.6000114.4R87 A88 G93R87-P91 WeakPolarHBondContact O-CD 3.46Å; A88-P91 WeakPolarHBondContact O-CD 3.46Å; P91-G93 VanDerWaalsContact C-N 3.26Å; P91-G93 PolarHBondContact O-N 3.21Å
92L96Very high97.1Very high27 Ų2753 Ų5314%0.14132%0.321CS..Hα-helixtrans-80.2-6.7179-64.4174000113.6A88 M89 G90 I94 R142 E145 Y146A88-L92 HydrophobicContact CB-CD1 4.13Å; A88-L92 WeakPolarHBondContact O-CB 3.33Å; A88-L92 WeakPolarHBondContact O-CD1 3.41Å; A88-L92 WeakPolarHBondContact O-CG 3.36Å; A88-L92 PolarHBondContact O-N 2.89Å; A88-L92 VanDerWaalsContact O-N 3.12Å; M89-L92 PolarHBondContact O-N 3.37Å; G90-L92 PolarHBondContact O-N 3.15Å; L92-I94 VanDerWaalsContact C-N 3.3Å; L92-I94 HydrophobicContact CB-CD1 3.69Å; L92-I94 HydrophobicContact CB-CG1 3.78Å; L92-I94 HydrophobicContact CD1-CD1 3.92Å; L92-I94 HydrophobicContact CG-CD1 4.47Å; L92-R142 HydrophobicContact CD1-CB 4.4Å; L92-R142 VanDerWaalsContact CD2-NH2 3.35Å; L92-R142 PolarHBondContact O-NH1 2.93Å; L92-R142 VanDerWaalsContact O-NH1 3.09Å; L92-E145 HydrophobicContact CD2-CB 3.96Å; L92-E145 WeakPolarHBondContact CD2-OE2 3.35Å; L92-Y146 HydrophobicContact CD1-CD1 3.86Å; L92-Y146 HydrophobicContact CD1-CE1 3.71Å
93G97Very high97.1Very high66 Ų6658.3 Ų58.368%0.6835%0.35SS*.THydrogen-bonded Turntrans70.224.5-177.600000113.7M89 G90 P91M89-G93 PolarHBondContact O-N 3.25Å; G90-G93 PolarHBondContact O-N 3.03Å; P91-G93 VanDerWaalsContact C-N 3.26Å; P91-G93 PolarHBondContact O-N 3.21Å
94I97.6Very high97Very high18 Ų1859.4 Ų59.49%0.09236%0.356CS..  trans-95.2133.8-176.8-53.7173.1000109M89 L92 G135 C139M89-I94 HydrophobicContact CB-CB 4.31Å; M89-I94 HydrophobicContact CE-CB 4.39Å; M89-I94 HydrophobicContact CE-CG2 3.85Å; M89-I94 HydrophobicContact CG-CB 4.44Å; M89-I94 PolarHBondContact O-N 3.27Å; L92-I94 VanDerWaalsContact C-N 3.3Å; L92-I94 HydrophobicContact CB-CD1 3.69Å; L92-I94 HydrophobicContact CB-CG1 3.78Å; L92-I94 HydrophobicContact CD1-CD1 3.92Å; L92-I94 HydrophobicContact CG-CD1 4.47Å; I94-G135 VanDerWaalsContact CG2-O 3.3Å; I94-G135 WeakPolarHBondContact CG2-O 3.43Å; I94-C139 HydrophobicContact CD1-CB 3.88Å
95S97.4Very high97Very high95 Ų9557.8 Ų57.866%0.66435%0.346SS*.  trans-108.4154.4174.9-61.50000110.6
96F98.1Very high97Very high35 Ų3561 Ų6115%0.15436%0.363CS..  trans-62.1140.9170-62.9-70000110.5M89 D98 N101 Q102 A105 L130 I136M89-F96 HydrophobicContact CE-CD1 3.66Å; M89-F96 HydrophobicContact CE-CE1 3.75Å; M89-F96 HydrophobicContact CE-CG 4.07Å; M89-F96 HydrophobicContact CE-CZ 4.21Å; M89-F96 HydrophobicContact SD-CD1 3.93Å; M89-F96 HydrophobicContact SD-CE1 3.35Å; M89-F96 WeakPolarHBondContact SD-CE1 3.48Å; M89-F96 HydrophobicContact SD-CE2 4.39Å; M89-F96 HydrophobicContact SD-CZ 3.6Å; F96-D98 WeakPolarHBondContact CB-O 3.46Å; F96-N101 HydrophobicContact CB-CB 4.26Å; F96-N101 HydrophobicContact CD1-CB 3.86Å; F96-N101 HydrophobicContact CE1-CB 4.44Å; F96-N101 HydrophobicContact CG-CB 4.06Å; F96-Q102 HydrophobicContact CD2-CB 4.46Å; F96-A105 HydrophobicContact CE1-CB 4.32Å; F96-A105 HydrophobicContact CE2-CB 4.01Å; F96-A105 HydrophobicContact CZ-CB 3.51Å; F96-L130 HydrophobicContact CD1-CD2 4.27Å; F96-L130 HydrophobicContact CE1-CD2 3.63Å; F96-L130 HydrophobicContact CZ-CD2 4.28Å; F96-I136 HydrophobicContact CD1-CG1 4.31Å; F96-I136 HydrophobicContact CE1-CD1 4.01Å; F96-I136 HydrophobicContact CE1-CG1 3.97Å
97S97.4Very high97Very high76 Ų7662.8 Ų62.853%0.53138%0.377SS..SBendtrans-74.6-36.7173.3-64.30000111.4D133 A134 G135S97-D133 PolarHBondContact N-OD1 3.24Å; S97-D133 PolarHBondContact N-OD2 3.42Å; S97-D133 VanDerWaalsContact N-OD2 3.11Å; S97-A134 WeakPolarHBondContact OG-CB 3.24Å; S97-G135 PolarHBondContact OG-N 3.25Å
98D96.1Very high97Very high66 Ų6656.3 Ų56.335%0.35335%0.353SS..SBendtrans-100.4117.9169.9-174.2-11.3000110.8F96 Q100 N101 D133F96-D98 WeakPolarHBondContact CB-O 3.46Å; D98-Q100 PolarHBondContact O-N 3.39Å; D98-Q100 VanDerWaalsContact O-N 3.12Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.48Å; D98-Q100 WeakPolarHBondContact OD1-CG 3.5Å; D98-Q100 PolarHBondContact OD1-N 3.08Å; D98-N101 WeakPolarHBondContact O-CB 3.4Å; D98-N101 PolarHBondContact O-N 3.08Å; D98-D133 PolarHBondContact N-OD2 3.01Å
99P94.5Very high97Very high108 Ų10858.4 Ų58.470%0.70136%0.363SS*.THydrogen-bonded Turntrans-56.7-26175.4-25.234.7000114.4N101 Q102P99-N101 PolarHBondContact O-N 3.5Å; P99-Q102 WeakPolarHBondContact O-CB 3.44Å; P99-Q102 PolarHBondContact O-N 3.16Å
100Q93.4Very high97Very high136 Ų13665.5 Ų65.564%0.63640%0.396SS*.THydrogen-bonded Turntrans-65.7-26.7176.6-62.3-171.65.900112.3D98 Q102 N103D98-Q100 PolarHBondContact O-N 3.39Å; D98-Q100 VanDerWaalsContact O-N 3.12Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.48Å; D98-Q100 WeakPolarHBondContact OD1-CG 3.5Å; D98-Q100 PolarHBondContact OD1-N 3.08Å; Q100-Q102 PolarHBondContact O-N 2.98Å; Q100-Q102 VanDerWaalsContact O-N 3.17Å; Q100-N103 PolarHBondContact O-N 3.27Å; Q100-N103 VanDerWaalsContact O-N 3.08Å
101N97.6Very high97.1Very high5 Ų563.9 Ų63.93%0.02737%0.374CS..Hα-helixtrans-66.2-15.4177.8-80.5-32000113.2F96 D98 P99 N103 N104 A105 N129 L130 D133F96-N101 HydrophobicContact CB-CB 4.26Å; F96-N101 HydrophobicContact CD1-CB 3.86Å; F96-N101 HydrophobicContact CE1-CB 4.44Å; F96-N101 HydrophobicContact CG-CB 4.06Å; D98-N101 WeakPolarHBondContact O-CB 3.4Å; D98-N101 PolarHBondContact O-N 3.08Å; P99-N101 PolarHBondContact O-N 3.5Å; N101-N103 VanDerWaalsContact C-N 3.28Å; N101-N103 PolarHBondContact O-N 3Å; N101-N104 PolarHBondContact O-N 3.03Å; N101-N104 PolarHBondContact OD1-ND2 3.14Å; N101-A105 VanDerWaalsContact O-CB 3.26Å; N101-A105 WeakPolarHBondContact O-CB 3.27Å; N101-A105 PolarHBondContact O-N 3.26Å; N101-N129 PolarHBondContact ND2-O 3.26Å; N101-L130 HydrophobicContact CB-CD2 3.9Å; N101-D133 WeakPolarHBondContact ND2-CB 3.43Å; N101-D133 PolarHBondContact ND2-OD2 3.46Å
102Q97.4Very high97.2Very high90 Ų9063.9 Ų63.942%0.42136%0.363SS..Hα-helixtrans-60.7-39.1170.3-171.660.963.300112.1F96 P99 Q100 N106F96-Q102 HydrophobicContact CD2-CB 4.46Å; P99-Q102 WeakPolarHBondContact O-CB 3.44Å; P99-Q102 PolarHBondContact O-N 3.16Å; Q100-Q102 PolarHBondContact O-N 2.98Å; Q100-Q102 VanDerWaalsContact O-N 3.17Å; Q102-N106 PolarHBondContact NE2-OD1 2.67Å; Q102-N106 PolarHBondContact O-N 3.36Å; Q102-N106 VanDerWaalsContact O-N 3.08Å; Q102-N106 PolarHBondContact O-ND2 3.01Å; Q102-N106 PolarHBondContact O-OD1 3.33Å
103N97.4Very high97.2Very high112 Ų11263.6 Ų63.660%0.59936%0.363SS*.Hα-helixtrans-71.2-43.1177.2-67.5-29.2000111Q100 N101 A105 N106 S107Q100-N103 PolarHBondContact O-N 3.27Å; Q100-N103 VanDerWaalsContact O-N 3.08Å; N101-N103 VanDerWaalsContact C-N 3.28Å; N101-N103 PolarHBondContact O-N 3Å; N103-A105 VanDerWaalsContact C-N 3.28Å; N103-A105 PolarHBondContact O-N 2.89Å; N103-N106 PolarHBondContact O-N 2.86Å; N103-S107 PolarHBondContact O-N 2.87Å; N103-S107 PolarHBondContact O-OG 2.86Å
104N97.9Very high97Very high33 Ų3367.5 Ų67.518%0.17637%0.368CS..Hα-helixtrans-57.1-44.3174.6-67.6-28.4000111.1N101 S107 V108 A126 L130N101-N104 PolarHBondContact O-N 3.03Å; N101-N104 PolarHBondContact OD1-ND2 3.14Å; N104-S107 PolarHBondContact O-N 3.44Å; N104-V108 WeakPolarHBondContact O-CG2 2.99Å; N104-V108 PolarHBondContact O-N 3.18Å; N104-A126 HydrophobicContact CB-CB 3.85Å; N104-L130 HydrophobicContact CB-CD1 4.02Å; N104-L130 HydrophobicContact CB-CD2 4.29Å; N104-L130 HydrophobicContact CB-CG 3.94Å
105A98.1Very high96.9Very high0 Ų073.4 Ų73.40%039%0.393CS..Hα-helixtrans-61.9-45.5177.900000111.9I86 F96 N101 N103 S107 V108 L109 L130I86-A105 HydrophobicContact CD1-CB 4Å; I86-A105 HydrophobicContact CG1-CB 4.23Å; I86-A105 HydrophobicContact CG2-CB 3.94Å; F96-A105 HydrophobicContact CE1-CB 4.32Å; F96-A105 HydrophobicContact CE2-CB 4.01Å; F96-A105 HydrophobicContact CZ-CB 3.51Å; N101-A105 VanDerWaalsContact O-CB 3.26Å; N101-A105 WeakPolarHBondContact O-CB 3.27Å; N101-A105 PolarHBondContact O-N 3.26Å; N103-A105 VanDerWaalsContact C-N 3.28Å; N103-A105 PolarHBondContact O-N 2.89Å; A105-S107 PolarHBondContact O-N 3.25Å; A105-V108 PolarHBondContact O-N 3.41Å; A105-L109 WeakPolarHBondContact O-CB 3.17Å; A105-L109 VanDerWaalsContact O-CG 3.25Å; A105-L109 WeakPolarHBondContact O-CG 3.41Å; A105-L109 PolarHBondContact O-N 3.48Å; A105-L130 HydrophobicContact CB-CD2 4.08Å
106N98.1Very high96.8Very high68 Ų6869.5 Ų69.536%0.36437%0.365SS..Hα-helixtrans-59.9-46.9177.1-66.3-14.8000111.3Q102 N103 V108 L109 E110Q102-N106 PolarHBondContact NE2-OD1 2.67Å; Q102-N106 PolarHBondContact O-N 3.36Å; Q102-N106 VanDerWaalsContact O-N 3.08Å; Q102-N106 PolarHBondContact O-ND2 3.01Å; Q102-N106 PolarHBondContact O-OD1 3.33Å; N103-N106 PolarHBondContact O-N 2.86Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 2.92Å; N106-L109 PolarHBondContact O-N 2.79Å; N106-E110 WeakPolarHBondContact O-CG 3.49Å; N106-E110 PolarHBondContact O-N 3.37Å; N106-E110 VanDerWaalsContact O-N 3.13Å
107S97.8Very high96.6Very high54 Ų5473.1 Ų73.138%0.37838%0.382SS..Hα-helixtrans-61.5-39.5177.6-60.20000112.9N103 N104 A105N103-S107 PolarHBondContact O-N 2.87Å; N103-S107 PolarHBondContact O-OG 2.86Å; N104-S107 PolarHBondContact O-N 3.44Å; A105-S107 PolarHBondContact O-N 3.25Å
108V97.9Very high96.4Very high0 Ų077.1 Ų77.10%039%0.393CS..Hα-helixtrans-70.1-34.4176.8172.20000111.9Y79 M82 Q83 I86 N104 A105 N106 E110 V111 L123 A126 I127 L130Y79-V108 HydrophobicContact CD1-CG1 4.33Å; M82-V108 HydrophobicContact CB-CG1 4.19Å; M82-V108 HydrophobicContact CG-CG1 3.82Å; Q83-V108 HydrophobicContact CG-CG1 4.07Å; Q83-V108 PolarHBondContact NE2-O 3.17Å; I86-V108 HydrophobicContact CD1-CB 4.18Å; I86-V108 HydrophobicContact CD1-CG1 4.05Å; N104-V108 WeakPolarHBondContact O-CG2 2.99Å; N104-V108 PolarHBondContact O-N 3.18Å; A105-V108 PolarHBondContact O-N 3.41Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 2.92Å; V108-E110 VanDerWaalsContact C-N 3.34Å; V108-V111 PolarHBondContact O-N 3.36Å; V108-L123 HydrophobicContact CG2-CD2 4.45Å; V108-A126 HydrophobicContact CG2-CB 4.32Å; V108-I127 HydrophobicContact CG2-CG1 3.83Å; V108-L130 HydrophobicContact CB-CD1 4.47Å; V108-L130 HydrophobicContact CG2-CD1 3.94Å
109L98.1Very high96.3Very high54 Ų5474.8 Ų74.828%0.28338%0.38SS..Hα-helixtrans-70.1-27.4177.8-75.1172000113.7Q83 I86 R87 A105 N106 V111Q83-L109 HydrophobicContact CB-CD2 4.2Å; Q83-L109 HydrophobicContact CG-CD2 4.23Å; I86-L109 HydrophobicContact CB-CD2 4.4Å; I86-L109 HydrophobicContact CD1-CG 4.49Å; I86-L109 HydrophobicContact CG2-CD1 3.69Å; I86-L109 HydrophobicContact CG2-CD2 4.11Å; I86-L109 HydrophobicContact CG2-CG 3.98Å; R87-L109 HydrophobicContact CG-CD2 4Å; A105-L109 WeakPolarHBondContact O-CB 3.17Å; A105-L109 VanDerWaalsContact O-CG 3.25Å; A105-L109 WeakPolarHBondContact O-CG 3.41Å; A105-L109 PolarHBondContact O-N 3.48Å; N106-L109 PolarHBondContact O-N 2.79Å; L109-V111 PolarHBondContact O-N 2.67Å
110E97.4Very high96.2Very high155 Ų15573.3 Ų73.372%0.72437%0.366SS*.THydrogen-bonded Turntrans-72.8-15.3177.3-74.1175.2-17900113.3N106 V108 E112N106-E110 WeakPolarHBondContact O-CG 3.49Å; N106-E110 PolarHBondContact O-N 3.37Å; N106-E110 VanDerWaalsContact O-N 3.13Å; V108-E110 VanDerWaalsContact C-N 3.34Å; E110-E112 PolarHBondContact O-N 2.75Å
111V97.8Very high96.2Very high26 Ų2671.5 Ų71.516%0.15836%0.358CS..  trans-67.8120.1-179-178.50000111Y79 Q83 V108 L109 V113 V116 L123Y79-V111 HydrophobicContact CD1-CB 4.2Å; Y79-V111 HydrophobicContact CD1-CG1 4.03Å; Y79-V111 HydrophobicContact CD1-CG2 4.11Å; Y79-V111 HydrophobicContact CD2-CG1 4.29Å; Y79-V111 HydrophobicContact CE1-CB 4.37Å; Y79-V111 HydrophobicContact CE1-CG1 4.15Å; Y79-V111 HydrophobicContact CE1-CG2 3.84Å; Y79-V111 HydrophobicContact CE2-CG1 4.38Å; Y79-V111 HydrophobicContact CG-CG1 4.11Å; Q83-V111 PolarHBondContact NE2-O 3.42Å; V108-V111 PolarHBondContact O-N 3.36Å; L109-V111 PolarHBondContact O-N 2.67Å; V111-V113 PolarHBondContact O-N 2.95Å; V111-V113 VanDerWaalsContact O-N 3.13Å; V111-V116 HydrophobicContact CG1-CG2 3.61Å; V111-L123 HydrophobicContact CG2-CD1 3.54Å
112E97.3Very high96.1Very high118 Ų11877.3 Ų77.355%0.55139%0.389SS*.  trans-75.394.3167.4-67.5-170.8-117.900110.2E110 D114 K115E110-E112 PolarHBondContact O-N 2.75Å; E112-D114 VanDerWaalsContact C-N 3.28Å; E112-D114 PolarHBondContact O-N 3.1Å; E112-K115 HydrophobicContact CB-CB 4.39Å; E112-K115 HydrophobicContact CB-CD 4.16Å; E112-K115 HydrophobicContact CB-CG 4.39Å; E112-K115 PolarHBondContact O-N 2.86Å; E112-K115 IonicContact OE1-NZ 3.98Å; E112-K115 PolarHBondContact OE1-NZ 3.5Å; E112-K115 WeakPolarHBondContact OE2-CD 3.25Å; E112-K115 WeakPolarHBondContact OE2-CE 3.34Å; E112-K115 IonicContact OE2-NZ 3.85Å; E112-K115 PolarHBondContact OE2-NZ 3.07Å
113V96Very high96.1Very high21 Ų2174.3 Ų74.313%0.12738%0.376CS..G310 helixtrans-51.2-44.3-173.9179.10000112.6Q76 T80 V111 K115 V116Q76-V113 HydrophobicContact CB-CG1 3.7Å; Q76-V113 HydrophobicContact CG-CG1 3.92Å; Q76-V113 WeakPolarHBondContact CG-O 3.28Å; T80-V113 WeakPolarHBondContact OG1-CG1 3.47Å; V111-V113 PolarHBondContact O-N 2.95Å; V111-V113 VanDerWaalsContact O-N 3.13Å; V113-K115 PolarHBondContact O-N 3.49Å; V113-K115 VanDerWaalsContact O-N 3.07Å; V113-V116 WeakPolarHBondContact O-CB 3.3Å; V113-V116 WeakPolarHBondContact O-CG2 3.38Å; V113-V116 PolarHBondContact O-N 2.81Å
114D94.2Very high96.1Very high147 Ų14769 Ų6979%0.78635%0.348SS*.G310 helixtrans-65-16.8-175.9-62.9-34.3000114E112E112-D114 VanDerWaalsContact C-N 3.28Å; E112-D114 PolarHBondContact O-N 3.1Å
115K95.4Very high96.1Very high143 Ų14370.7 Ų70.762%0.62236%0.358SS*.G310 helixtrans-98.50.3178.2-64.5179.8-179.5162.50113.4E112 V113 E117E112-K115 HydrophobicContact CB-CB 4.39Å; E112-K115 HydrophobicContact CB-CD 4.16Å; E112-K115 HydrophobicContact CB-CG 4.39Å; E112-K115 PolarHBondContact O-N 2.86Å; E112-K115 IonicContact OE1-NZ 3.98Å; E112-K115 PolarHBondContact OE1-NZ 3.5Å; E112-K115 WeakPolarHBondContact OE2-CD 3.25Å; E112-K115 WeakPolarHBondContact OE2-CE 3.34Å; E112-K115 IonicContact OE2-NZ 3.85Å; E112-K115 PolarHBondContact OE2-NZ 3.07Å; V113-K115 PolarHBondContact O-N 3.49Å; V113-K115 VanDerWaalsContact O-N 3.07Å; K115-E117 PolarHBondContact O-N 3.24Å
116V95.4Very high96Very high12 Ų1270.9 Ų70.97%0.07336%0.36CS..  trans-73.3118.3-178.9175.50000110F75 Q76 Y79 V111 V113F75-V116 HydrophobicContact CB-CG1 3.8Å; Q76-V116 HydrophobicContact CG-CB 4.13Å; Q76-V116 PolarHBondContact NE2-O 3.35Å; Y79-V116 HydrophobicContact CD2-CG1 4.01Å; Y79-V116 HydrophobicContact CD2-CG2 3.9Å; Y79-V116 HydrophobicContact CE2-CG1 3.83Å; Y79-V116 HydrophobicContact CE2-CG2 4.04Å; V111-V116 HydrophobicContact CG1-CG2 3.61Å; V113-V116 WeakPolarHBondContact O-CB 3.3Å; V113-V116 WeakPolarHBondContact O-CG2 3.38Å; V113-V116 PolarHBondContact O-N 2.81Å
117E93.6Very high96.1Very high112 Ų11267.7 Ų67.752%0.52334%0.343SS..  trans-108.7-26.9170.9-65.5-67.316400111.8K72 K115K72-E117 WeakPolarHBondContact CD-OE2 3.14Å; K72-E117 IonicContact NZ-OE1 3.41Å; K72-E117 IonicContact NZ-OE2 3.8Å; K115-E117 PolarHBondContact O-N 3.24Å
118E93.7Very high96.1Very high160 Ų16068.8 Ų68.875%0.74834%0.339SS*.SBendtrans-141162.6-178.1-63.6-177.7-177.300111.8
119L92.8Very high96.1Very high16 Ų1672.1 Ų72.18%0.08436%0.357CS..  trans-89.3112.8172.4-70.9176.5000111.1F75 Y79 Q121 V124 I162F75-L119 HydrophobicContact CB-CD2 3.8Å; F75-L119 HydrophobicContact CB-CG 4.08Å; F75-L119 HydrophobicContact CD1-CD1 3.5Å; F75-L119 VanDerWaalsContact CD1-CD1 3.5Å; F75-L119 HydrophobicContact CD1-CD2 3.99Å; F75-L119 HydrophobicContact CD1-CG 3.43Å; F75-L119 VanDerWaalsContact CD1-CG 3.43Å; F75-L119 HydrophobicContact CD2-CG 4.23Å; F75-L119 HydrophobicContact CE1-CD1 3.64Å; F75-L119 HydrophobicContact CE1-CG 3.79Å; F75-L119 HydrophobicContact CG-CD1 4.26Å; F75-L119 HydrophobicContact CG-CD2 3.97Å; F75-L119 HydrophobicContact CG-CG 3.66Å; F75-L119 HydrophobicContact CZ-CG 4.34Å; Y79-L119 HydrophobicContact CD2-CD2 4.39Å; Y79-L119 HydrophobicContact CE2-CD2 3.65Å; L119-Q121 PolarHBondContact O-N 2.93Å; L119-V124 HydrophobicContact CB-CG2 3.82Å; L119-V124 HydrophobicContact CD1-CG2 4.31Å; L119-I162 HydrophobicContact CD1-CG2 3.93Å
120D93.4Very high96.1Very high78 Ų7869.6 Ų69.642%0.41734%0.344SS..  trans-62.8123.5168.4-176.1-29.5000109.8N122 L123 V124D120-N122 VanDerWaalsContact C-N 3.25Å; D120-N122 PolarHBondContact O-N 3.21Å; D120-N122 WeakPolarHBondContact OD1-CB 3.21Å; D120-N122 PolarHBondContact OD1-N 3.37Å; D120-N122 PolarHBondContact OD1-ND2 3.08Å; D120-L123 HydrophobicContact CB-CB 4.12Å; D120-L123 HydrophobicContact CB-CD1 3.96Å; D120-L123 HydrophobicContact CB-CG 4.05Å; D120-L123 CarbonylContact O-C 3.31Å; D120-L123 WeakPolarHBondContact O-CA 3.44Å; D120-L123 PolarHBondContact O-N 2.99Å; D120-V124 WeakPolarHBondContact O-CG2 3.42Å; D120-V124 PolarHBondContact O-N 3.46Å
121Q93.9Very high96.2Very high97 Ų9763.3 Ų63.345%0.45331%0.313SS..Hα-helixtrans-61.7-31.2-177.3-64.2-62.2-34.700113.1L119 V124 V125 S163L119-Q121 PolarHBondContact O-N 2.93Å; Q121-V124 PolarHBondContact O-N 2.88Å; Q121-V125 WeakPolarHBondContact O-CG2 3.28Å; Q121-V125 PolarHBondContact O-N 3.41Å; Q121-S163 PolarHBondContact NE2-O 3.46Å
122N94.7Very high96.2Very high128 Ų12867.6 Ų67.668%0.68434%0.336SS*.Hα-helixtrans-66.8-41.4174.2-63.1-45.4000110.7D120 V125 A126D120-N122 VanDerWaalsContact C-N 3.25Å; D120-N122 PolarHBondContact O-N 3.21Å; D120-N122 WeakPolarHBondContact OD1-CB 3.21Å; D120-N122 PolarHBondContact OD1-N 3.37Å; D120-N122 PolarHBondContact OD1-ND2 3.08Å; N122-V125 PolarHBondContact O-N 2.82Å; N122-A126 PolarHBondContact O-N 3.3Å; N122-A126 VanDerWaalsContact O-N 3.08Å
123L96.8Very high96.2Very high27 Ų2762.3 Ų62.314%0.14131%0.311CS..Hα-helixtrans-71.9-31.4177-65.9177.9000112.1Y79 V108 V111 D120 V125 A126 I127Y79-L123 HydrophobicContact CE1-CB 4.21Å; Y79-L123 HydrophobicContact CE1-CD1 4.01Å; Y79-L123 WeakPolarHBondContact OH-CB 3.47Å; Y79-L123 WeakPolarHBondContact OH-CD1 3.44Å; V108-L123 HydrophobicContact CG2-CD2 4.45Å; V111-L123 HydrophobicContact CG2-CD1 3.54Å; D120-L123 HydrophobicContact CB-CB 4.12Å; D120-L123 HydrophobicContact CB-CD1 3.96Å; D120-L123 HydrophobicContact CB-CG 4.05Å; D120-L123 CarbonylContact O-C 3.31Å; D120-L123 WeakPolarHBondContact O-CA 3.44Å; D120-L123 PolarHBondContact O-N 2.99Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 3.49Å; L123-A126 WeakPolarHBondContact O-CB 3.5Å; L123-A126 PolarHBondContact O-N 3.49Å; L123-I127 WeakPolarHBondContact O-CB 3.19Å; L123-I127 WeakPolarHBondContact O-CG1 3.32Å; L123-I127 PolarHBondContact O-N 2.98Å
124V97.4Very high96.3Very high1 Ų164.2 Ų64.21%0.00633%0.329CS..Hα-helixtrans-59.4-45.2171.2169.70000110.7L119 D120 Q121 A126 I127 R128 L159L119-V124 HydrophobicContact CB-CG2 3.82Å; L119-V124 HydrophobicContact CD1-CG2 4.31Å; D120-V124 WeakPolarHBondContact O-CG2 3.42Å; D120-V124 PolarHBondContact O-N 3.46Å; Q121-V124 PolarHBondContact O-N 2.88Å; V124-A126 VanDerWaalsContact C-N 3.35Å; V124-I127 PolarHBondContact O-N 3.01Å; V124-R128 WeakPolarHBondContact O-CB 3.27Å; V124-R128 PolarHBondContact O-N 2.84Å; V124-L159 HydrophobicContact CG1-CD2 4.16Å; V124-L159 HydrophobicContact CG1-CG 4.15Å
125V97.5Very high96.5Very high67 Ų6757.4 Ų57.441%0.40629%0.293SS..Hα-helixtrans-62.6-43.6175.6175.40000110.8Q121 N122 L123 R128 N129Q121-V125 WeakPolarHBondContact O-CG2 3.28Å; Q121-V125 PolarHBondContact O-N 3.41Å; N122-V125 PolarHBondContact O-N 2.82Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 3.49Å; V125-R128 PolarHBondContact O-N 2.71Å; V125-N129 VanDerWaalsContact O-CG 3.26Å; V125-N129 PolarHBondContact O-N 2.96Å; V125-N129 PolarHBondContact O-ND2 2.98Å
126A97.9Very high96.7Very high5 Ų550.6 Ų50.64%0.04126%0.264CS..Hα-helixtrans-59.8-47.7176.400000112.2N104 V108 N122 L123 V124 R128 N129 L130N104-A126 HydrophobicContact CB-CB 3.85Å; V108-A126 HydrophobicContact CG2-CB 4.32Å; N122-A126 PolarHBondContact O-N 3.3Å; N122-A126 VanDerWaalsContact O-N 3.08Å; L123-A126 WeakPolarHBondContact O-CB 3.5Å; L123-A126 PolarHBondContact O-N 3.49Å; V124-A126 VanDerWaalsContact C-N 3.35Å; A126-R128 VanDerWaalsContact C-N 3.33Å; A126-R128 PolarHBondContact O-N 3.39Å; A126-N129 PolarHBondContact O-N 3.36Å; A126-L130 WeakPolarHBondContact O-CB 3.33Å; A126-L130 WeakPolarHBondContact O-CD1 3.38Å; A126-L130 VanDerWaalsContact O-CG 3.28Å; A126-L130 WeakPolarHBondContact O-CG 3.34Å; A126-L130 PolarHBondContact O-N 2.92Å
127I98.4Very high96.8Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-62.3-40.3177.4-67.7165.3000110.6I78 Y79 M82 V108 L123 V124 L130 W131 L156 L159I78-I127 HydrophobicContact CG2-CD1 4.09Å; I78-I127 HydrophobicContact CG2-CG2 4.36Å; Y79-I127 HydrophobicContact CD1-CD1 4.02Å; Y79-I127 HydrophobicContact CE1-CD1 3.69Å; M82-I127 HydrophobicContact CE-CG2 3.87Å; M82-I127 HydrophobicContact CG-CG1 4.42Å; V108-I127 HydrophobicContact CG2-CG1 3.83Å; L123-I127 WeakPolarHBondContact O-CB 3.19Å; L123-I127 WeakPolarHBondContact O-CG1 3.32Å; L123-I127 PolarHBondContact O-N 2.98Å; V124-I127 PolarHBondContact O-N 3.01Å; I127-L130 PolarHBondContact O-N 3.48Å; I127-W131 WeakPolarHBondContact O-CB 3.16Å; I127-W131 PolarHBondContact O-N 3.01Å; I127-L156 HydrophobicContact CG2-CD2 3.63Å; I127-L159 HydrophobicContact CB-CD2 4.1Å; I127-L159 HydrophobicContact CG2-CD2 3.73Å
128R98.1Very high97Very high77 Ų7751.1 Ų51.129%0.29127%0.268SS..Hα-helixtrans-62.2-45.7176-168.7-173.7-64.3111.10.2111.5V124 V125 A126 L130 W131 N132 L159 D160V124-R128 WeakPolarHBondContact O-CB 3.27Å; V124-R128 PolarHBondContact O-N 2.84Å; V125-R128 PolarHBondContact O-N 2.71Å; A126-R128 VanDerWaalsContact C-N 3.33Å; A126-R128 PolarHBondContact O-N 3.39Å; R128-L130 VanDerWaalsContact C-N 3.35Å; R128-W131 PolarHBondContact O-N 3.09Å; R128-N132 PolarHBondContact O-N 3.4Å; R128-N132 PolarHBondContact O-ND2 3.42Å; R128-L159 HydrophobicContact CB-CD2 4.18Å; R128-D160 IonicContact CZ-OD1 3.35Å; R128-D160 VanDerWaalsContact CZ-OD1 3.23Å; R128-D160 IonicContact NE-OD1 2.68Å; R128-D160 PolarHBondContact NE-OD1 3.3Å; R128-D160 IonicContact NH2-OD1 2.92Å; R128-D160 PolarHBondContact NH2-OD1 2.76Å
129N98.1Very high97.2Very high71 Ų7143.5 Ų43.538%0.3823%0.232SC..Hα-helixtrans-65-40178.5-68.6-16.4000111.9N101 V125 A126 N132 D133N101-N129 PolarHBondContact ND2-O 3.26Å; V125-N129 VanDerWaalsContact O-CG 3.26Å; V125-N129 PolarHBondContact O-N 2.96Å; V125-N129 PolarHBondContact O-ND2 2.98Å; A126-N129 PolarHBondContact O-N 3.36Å; N129-N132 PolarHBondContact O-N 3.39Å; N129-D133 PolarHBondContact O-N 3.46Å
130L98.5Very high97.4Very high0 Ų043.9 Ų43.90%023%0.233CC..Hα-helixtrans-63.9-47.5173.6-73.7163000111.3M82 I86 F96 N101 N104 A105 V108 A126 I127 R128 N132 D133 I136M82-L130 HydrophobicContact CE-CB 3.9Å; M82-L130 HydrophobicContact CG-CD1 4.18Å; M82-L130 HydrophobicContact SD-CB 3.85Å; M82-L130 HydrophobicContact SD-CD1 4.16Å; I86-L130 HydrophobicContact CD1-CD1 4.11Å; F96-L130 HydrophobicContact CD1-CD2 4.27Å; F96-L130 HydrophobicContact CE1-CD2 3.63Å; F96-L130 HydrophobicContact CZ-CD2 4.28Å; N101-L130 HydrophobicContact CB-CD2 3.9Å; N104-L130 HydrophobicContact CB-CD1 4.02Å; N104-L130 HydrophobicContact CB-CD2 4.29Å; N104-L130 HydrophobicContact CB-CG 3.94Å; A105-L130 HydrophobicContact CB-CD2 4.08Å; V108-L130 HydrophobicContact CB-CD1 4.47Å; V108-L130 HydrophobicContact CG2-CD1 3.94Å; A126-L130 WeakPolarHBondContact O-CB 3.33Å; A126-L130 WeakPolarHBondContact O-CD1 3.38Å; A126-L130 VanDerWaalsContact O-CG 3.28Å; A126-L130 WeakPolarHBondContact O-CG 3.34Å; A126-L130 PolarHBondContact O-N 2.92Å; I127-L130 PolarHBondContact O-N 3.48Å; R128-L130 VanDerWaalsContact C-N 3.35Å; L130-N132 PolarHBondContact O-N 2.96Å; L130-D133 WeakPolarHBondContact O-CB 3.26Å; L130-D133 PolarHBondContact O-N 2.86Å; L130-I136 HydrophobicContact CB-CG1 4.48Å; L130-I136 HydrophobicContact CD2-CG1 4.45Å; L130-I136 WeakPolarHBondContact O-CB 3.35Å; L130-I136 WeakPolarHBondContact O-CG1 3.34Å; L130-I136 WeakPolarHBondContact O-CG2 3.3Å
131W98.4Very high97.4Very high23 Ų2345.3 Ų45.39%0.08724%0.24CC..Hα-helixtrans-62.1-32.9179.9-174.4-123000112.3M82 M85 I127 R128 D133 I136 Q137 Y140 K153 L156M82-W131 HydrophobicContact CE-CB 4.15Å; M85-W131 HydrophobicContact CE-CE3 3.98Å; M85-W131 HydrophobicContact CE-CZ3 3.92Å; M85-W131 HydrophobicContact SD-CZ3 3.94Å; I127-W131 WeakPolarHBondContact O-CB 3.16Å; I127-W131 PolarHBondContact O-N 3.01Å; R128-W131 PolarHBondContact O-N 3.09Å; W131-D133 VanDerWaalsContact C-N 3.3Å; W131-D133 PolarHBondContact O-N 3.29Å; W131-I136 HydrophobicContact CE3-CG2 4Å; W131-I136 HydrophobicContact CZ3-CG2 4.47Å; W131-Q137 VanDerWaalsContact CD2-NE2 3.3Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.31Å; W131-Q137 PolarHBondContact O-NE2 3.2Å; W131-Y140 HydrophobicContact CH2-CD1 4Å; W131-Y140 AromaticContact CH2-CD2 3.85Å; W131-Y140 HydrophobicContact CH2-CD2 3.85Å; W131-Y140 HydrophobicContact CH2-CE1 4.39Å; W131-Y140 HydrophobicContact CH2-CE2 4.27Å; W131-Y140 AromaticContact CH2-CG 3.72Å; W131-Y140 HydrophobicContact CH2-CG 3.72Å; W131-Y140 HydrophobicContact CZ3-CD2 4.04Å; W131-Y140 AromaticContact CZ3-CG 3.95Å; W131-Y140 HydrophobicContact CZ3-CG 3.95Å; W131-K153 HydrophobicContact CZ2-CB 4.46Å; W131-K153 HydrophobicContact CZ2-CG 4.38Å; W131-L156 HydrophobicContact CD2-CB 3.71Å; W131-L156 HydrophobicContact CD2-CD1 3.76Å; W131-L156 HydrophobicContact CD2-CG 4.36Å; W131-L156 HydrophobicContact CE3-CB 4.24Å; W131-L156 HydrophobicContact CE3-CD1 3.4Å; W131-L156 VanDerWaalsContact CE3-CD1 3.4Å; W131-L156 HydrophobicContact CE3-CG 4.45Å; W131-L156 HydrophobicContact CG-CB 3.92Å; W131-L156 HydrophobicContact CG-CD1 4.4Å; W131-L156 HydrophobicContact CH2-CD1 4.33Å; W131-L156 HydrophobicContact CZ2-CB 4.25Å; W131-L156 HydrophobicContact CZ3-CD1 3.72Å
132N98.1Very high97.4Very high117 Ų11744.1 Ų44.163%0.62623%0.232SC*.THydrogen-bonded Turntrans-81.4-4.1175.2-68.2-33.2000114.1R128 N129 L130R128-N132 PolarHBondContact O-N 3.4Å; R128-N132 PolarHBondContact O-ND2 3.42Å; N129-N132 PolarHBondContact O-N 3.39Å; L130-N132 PolarHBondContact O-N 2.96Å
133D98.6Very high97.4Very high6 Ų639 Ų393%0.03220%0.203CC..  trans-73.8130.3177-168.1-82.3000110.7S97 D98 N101 N129 L130 W131 G135 I136 Q137S97-D133 PolarHBondContact N-OD1 3.24Å; S97-D133 PolarHBondContact N-OD2 3.42Å; S97-D133 VanDerWaalsContact N-OD2 3.11Å; D98-D133 PolarHBondContact N-OD2 3.01Å; N101-D133 WeakPolarHBondContact ND2-CB 3.43Å; N101-D133 PolarHBondContact ND2-OD2 3.46Å; N129-D133 PolarHBondContact O-N 3.46Å; L130-D133 WeakPolarHBondContact O-CB 3.26Å; L130-D133 PolarHBondContact O-N 2.86Å; W131-D133 VanDerWaalsContact C-N 3.3Å; W131-D133 PolarHBondContact O-N 3.29Å; D133-G135 PolarHBondContact O-N 3.32Å; D133-G135 VanDerWaalsContact OD1-CA 3.31Å; D133-G135 WeakPolarHBondContact OD1-CA 3.25Å; D133-G135 PolarHBondContact OD1-N 3.46Å; D133-I136 HydrophobicContact CB-CB 4.22Å; D133-I136 HydrophobicContact CB-CG1 4.24Å; D133-I136 PolarHBondContact O-N 3.48Å; D133-I136 VanDerWaalsContact O-N 3.08Å; D133-I136 PolarHBondContact OD1-N 2.87Å; D133-Q137 PolarHBondContact O-N 2.62Å
134A98.3Very high97.1Very high61 Ų6141.7 Ų41.750%0.50421%0.212SC..Hα-helixtrans-62.9-28179.800000113.2S97 D138S97-A134 WeakPolarHBondContact OG-CB 3.24Å; A134-D138 WeakPolarHBondContact O-CB 3.45Å; A134-D138 PolarHBondContact O-N 3.43Å
135G98.1Very high96.8Very high4 Ų446 Ų464%0.04123%0.232CC..Hα-helixtrans-70.8-37.517300000112.5I94 S97 D133 C139I94-G135 VanDerWaalsContact CG2-O 3.3Å; I94-G135 WeakPolarHBondContact CG2-O 3.43Å; S97-G135 PolarHBondContact OG-N 3.25Å; D133-G135 PolarHBondContact O-N 3.32Å; D133-G135 VanDerWaalsContact OD1-CA 3.31Å; D133-G135 WeakPolarHBondContact OD1-CA 3.25Å; D133-G135 PolarHBondContact OD1-N 3.46Å; G135-C139 WeakPolarHBondContact O-CB 3.45Å; G135-C139 PolarHBondContact O-N 3.29Å
136I98.3Very high96.6Very high0 Ų044.2 Ų44.20%022%0.218CC..Hα-helixtrans-69.2-38.4172.9-72.8-73.4000111.1M82 M85 I86 M89 F96 L130 W131 D133 C139 Y140M82-I136 HydrophobicContact SD-CD1 4.39Å; M85-I136 HydrophobicContact CB-CD1 4.43Å; M85-I136 HydrophobicContact CE-CG2 4.23Å; M85-I136 HydrophobicContact SD-CG2 4.49Å; I86-I136 HydrophobicContact CG1-CD1 4.24Å; M89-I136 HydrophobicContact CG-CD1 4.36Å; M89-I136 HydrophobicContact SD-CD1 3.4Å; M89-I136 WeakPolarHBondContact SD-CD1 3.43Å; M89-I136 HydrophobicContact SD-CG1 4.05Å; F96-I136 HydrophobicContact CD1-CG1 4.31Å; F96-I136 HydrophobicContact CE1-CD1 4.01Å; F96-I136 HydrophobicContact CE1-CG1 3.97Å; L130-I136 HydrophobicContact CB-CG1 4.48Å; L130-I136 HydrophobicContact CD2-CG1 4.45Å; L130-I136 WeakPolarHBondContact O-CB 3.35Å; L130-I136 WeakPolarHBondContact O-CG1 3.34Å; L130-I136 WeakPolarHBondContact O-CG2 3.3Å; W131-I136 HydrophobicContact CE3-CG2 4Å; W131-I136 HydrophobicContact CZ3-CG2 4.47Å; D133-I136 HydrophobicContact CB-CB 4.22Å; D133-I136 HydrophobicContact CB-CG1 4.24Å; D133-I136 PolarHBondContact O-N 3.48Å; D133-I136 VanDerWaalsContact O-N 3.08Å; D133-I136 PolarHBondContact OD1-N 2.87Å; I136-C139 WeakPolarHBondContact O-CB 3.38Å; I136-C139 PolarHBondContact O-N 2.89Å; I136-Y140 PolarHBondContact O-N 3.09Å
137Q98.2Very high96.3Very high62 Ų6246.7 Ų46.729%0.2923%0.229SC..Hα-helixtrans-63.4-44.2174.5-70.4-62.1-54.900111.8W131 D133 C139 Y140 D141W131-Q137 VanDerWaalsContact CD2-NE2 3.3Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.31Å; W131-Q137 PolarHBondContact O-NE2 3.2Å; D133-Q137 PolarHBondContact O-N 2.62Å; Q137-C139 VanDerWaalsContact C-N 3.31Å; Q137-C139 PolarHBondContact O-N 3.13Å; Q137-Y140 CarbonylContact O-C 3.59Å; Q137-Y140 WeakPolarHBondContact O-CB 3.49Å; Q137-Y140 PolarHBondContact O-N 2.92Å; Q137-Y140 VanDerWaalsContact O-N 3.11Å; Q137-D141 PolarHBondContact O-N 3.36Å
138D97.4Very high96.2Very high74 Ų7447 Ų4740%0.39623%0.231SC..Hα-helixtrans-60.4-41173-178.339.9000111.7A134 Y140 D141 R142A134-D138 WeakPolarHBondContact O-CB 3.45Å; A134-D138 PolarHBondContact O-N 3.43Å; D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 2.84Å; D138-D141 PolarHBondContact O-N 2.74Å; D138-R142 PolarHBondContact O-N 3.48Å; D138-R142 VanDerWaalsContact O-N 3.15Å
139C97.6Very high96Very high0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-61.2-42.2173.6-170.40000111.7M85 M89 I94 G135 I136 Q137 R142 H143 Y146M85-C139 PolarHBondContact O-SG 2.98Å; M89-C139 HydrophobicContact CG-CB 3.97Å; I94-C139 HydrophobicContact CD1-CB 3.88Å; G135-C139 WeakPolarHBondContact O-CB 3.45Å; G135-C139 PolarHBondContact O-N 3.29Å; I136-C139 WeakPolarHBondContact O-CB 3.38Å; I136-C139 PolarHBondContact O-N 2.89Å; Q137-C139 VanDerWaalsContact C-N 3.31Å; Q137-C139 PolarHBondContact O-N 3.13Å; C139-R142 CarbonylContact O-C 3.46Å; C139-R142 PolarHBondContact O-N 2.92Å; C139-H143 PolarHBondContact O-N 2.65Å; C139-Y146 VanDerWaalsContact C-OH 3.3Å; C139-Y146 VanDerWaalsContact O-CE1 3.31Å; C139-Y146 WeakPolarHBondContact O-CE1 3.35Å; C139-Y146 PolarHBondContact O-OH 3.42Å; C139-Y146 PolarHBondContact SG-OH 2.98Å
140Y97Very high95.7Very high23 Ų2342.8 Ų42.89%0.0922%0.215CC..Hα-helixtrans-65.2-42.2175.7178.7-98.8000111.7M85 W131 I136 Q137 D138 R142 H143 L148 T152 K153M85-Y140 HydrophobicContact SD-CD2 3.98Å; W131-Y140 HydrophobicContact CH2-CD1 4Å; W131-Y140 AromaticContact CH2-CD2 3.85Å; W131-Y140 HydrophobicContact CH2-CD2 3.85Å; W131-Y140 HydrophobicContact CH2-CE1 4.39Å; W131-Y140 HydrophobicContact CH2-CE2 4.27Å; W131-Y140 AromaticContact CH2-CG 3.72Å; W131-Y140 HydrophobicContact CH2-CG 3.72Å; W131-Y140 HydrophobicContact CZ3-CD2 4.04Å; W131-Y140 AromaticContact CZ3-CG 3.95Å; W131-Y140 HydrophobicContact CZ3-CG 3.95Å; I136-Y140 PolarHBondContact O-N 3.09Å; Q137-Y140 CarbonylContact O-C 3.59Å; Q137-Y140 WeakPolarHBondContact O-CB 3.49Å; Q137-Y140 PolarHBondContact O-N 2.92Å; Q137-Y140 VanDerWaalsContact O-N 3.11Å; D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 2.84Å; Y140-R142 PolarHBondContact O-N 2.68Å; Y140-H143 WeakPolarHBondContact O-CB 3.19Å; Y140-H143 VanDerWaalsContact O-CG 3.23Å; Y140-H143 PolarHBondContact O-N 2.9Å; Y140-H143 PolarHBondContact O-ND1 3.45Å; Y140-L148 HydrophobicContact CD2-CD2 3.61Å; Y140-L148 HydrophobicContact CE2-CD2 3.8Å; Y140-T152 HydrophobicContact CD2-CG2 4.43Å; Y140-T152 HydrophobicContact CE2-CG2 4.32Å; Y140-K153 HydrophobicContact CE1-CB 4.28Å; Y140-K153 HydrophobicContact CE1-CD 3.96Å; Y140-K153 HydrophobicContact CE2-CB 4.15Å; Y140-K153 VanDerWaalsContact OH-CB 3.22Å; Y140-K153 WeakPolarHBondContact OH-CB 3.46Å
141D94.9Very high95.6Very high108 Ų10843.4 Ų43.458%0.57822%0.22SC*.Hα-helixtrans-62.7-26.8178.2-72-20.2000112.3Q137 D138Q137-D141 PolarHBondContact O-N 3.36Å; D138-D141 PolarHBondContact O-N 2.74Å
142R93.8Very high95.5Very high72 Ų7242.4 Ų42.427%0.27222%0.216SC..THydrogen-bonded Turntrans-90.914173.9-65177.565.8-167.8-2.2114.3L92 D138 C139 Y140 R144 E145L92-R142 HydrophobicContact CD1-CB 4.4Å; L92-R142 VanDerWaalsContact CD2-NH2 3.35Å; L92-R142 PolarHBondContact O-NH1 2.93Å; L92-R142 VanDerWaalsContact O-NH1 3.09Å; D138-R142 PolarHBondContact O-N 3.48Å; D138-R142 VanDerWaalsContact O-N 3.15Å; C139-R142 CarbonylContact O-C 3.46Å; C139-R142 PolarHBondContact O-N 2.92Å; Y140-R142 PolarHBondContact O-N 2.68Å; R142-R144 PolarHBondContact O-N 3.06Å; R142-E145 WeakPolarHBondContact CB-OE1 3.44Å; R142-E145 IonicContact CZ-OE1 3.67Å; R142-E145 IonicContact CZ-OE2 2.78Å; R142-E145 IonicContact NE-OE1 3.45Å; R142-E145 PolarHBondContact NE-OE1 3.34Å; R142-E145 IonicContact NE-OE2 3.99Å; R142-E145 IonicContact NH2-OE1 3.55Å; R142-E145 PolarHBondContact NH2-OE1 3.47Å; R142-E145 IonicContact NH2-OE2 3.63Å; R142-E145 PolarHBondContact NH2-OE2 3.01Å; R142-E145 WeakPolarHBondContact O-CB 3.28Å; R142-E145 PolarHBondContact O-N 3.34Å
143H93.6Very high95.5Very high20 Ų2040.9 Ų40.99%0.09320%0.204CC..THydrogen-bonded Turntrans-60.4-6.7-177.572.3-82.5000116.1C139 Y140 E145 Y146 L148C139-H143 PolarHBondContact O-N 2.65Å; Y140-H143 WeakPolarHBondContact O-CB 3.19Å; Y140-H143 VanDerWaalsContact O-CG 3.23Å; Y140-H143 PolarHBondContact O-N 2.9Å; Y140-H143 PolarHBondContact O-ND1 3.45Å; H143-E145 VanDerWaalsContact C-N 3.27Å; H143-Y146 HydrophobicContact CB-CE1 4.37Å; H143-Y146 HydrophobicContact CB-CE2 4.49Å; H143-L148 HydrophobicContact CB-CB 4.05Å; H143-L148 HydrophobicContact CB-CD2 3.62Å; H143-L148 HydrophobicContact CB-CG 4.49Å
144R90.9Very high95.4Very high85 Ų8542.7 Ų42.732%0.32121%0.211SC..THydrogen-bonded Turntrans-72.3-20.7168.566.6-178.8174.6-162.7-6.7113.3R142 Y146 S281R142-R144 PolarHBondContact O-N 3.06Å; R144-Y146 VanDerWaalsContact C-N 3.33Å; R144-S281 PolarHBondContact NH1-OG 2.96Å
145E91.3Very high95.4Very high91 Ų9139.9 Ų39.943%0.42519%0.187SC..THydrogen-bonded Turntrans-84.4-7.6-177.2-62.9176.8-129.800112.9L92 R142 H143L92-E145 HydrophobicContact CD2-CB 3.96Å; L92-E145 WeakPolarHBondContact CD2-OE2 3.35Å; R142-E145 WeakPolarHBondContact CB-OE1 3.44Å; R142-E145 IonicContact CZ-OE1 3.67Å; R142-E145 IonicContact CZ-OE2 2.78Å; R142-E145 IonicContact NE-OE1 3.45Å; R142-E145 PolarHBondContact NE-OE1 3.34Å; R142-E145 IonicContact NE-OE2 3.99Å; R142-E145 IonicContact NH2-OE1 3.55Å; R142-E145 PolarHBondContact NH2-OE1 3.47Å; R142-E145 IonicContact NH2-OE2 3.63Å; R142-E145 PolarHBondContact NH2-OE2 3.01Å; R142-E145 WeakPolarHBondContact O-CB 3.28Å; R142-E145 PolarHBondContact O-N 3.34Å; H143-E145 VanDerWaalsContact C-N 3.27Å
146Y93.6Very high95.4Very high29 Ų2940 Ų4011%0.11419%0.186CC..THydrogen-bonded Turntrans-149.6176.7178.561.1-86.8000111.2T84 M85 A88 L92 C139 H143 R144 L148T84-Y146 HydrophobicContact CG2-CD2 3.83Å; T84-Y146 HydrophobicContact CG2-CE2 4Å; M85-Y146 HydrophobicContact CG-CE2 4.38Å; A88-Y146 HydrophobicContact CB-CD1 3.66Å; A88-Y146 HydrophobicContact CB-CD2 3.76Å; A88-Y146 HydrophobicContact CB-CE1 3.76Å; A88-Y146 HydrophobicContact CB-CE2 3.85Å; A88-Y146 HydrophobicContact CB-CG 3.66Å; L92-Y146 HydrophobicContact CD1-CD1 3.86Å; L92-Y146 HydrophobicContact CD1-CE1 3.71Å; C139-Y146 VanDerWaalsContact C-OH 3.3Å; C139-Y146 VanDerWaalsContact O-CE1 3.31Å; C139-Y146 WeakPolarHBondContact O-CE1 3.35Å; C139-Y146 PolarHBondContact O-OH 3.42Å; C139-Y146 PolarHBondContact SG-OH 2.98Å; H143-Y146 HydrophobicContact CB-CE1 4.37Å; H143-Y146 HydrophobicContact CB-CE2 4.49Å; R144-Y146 VanDerWaalsContact C-N 3.33Å; Y146-L148 HydrophobicContact CD2-CB 4.24Å; Y146-L148 HydrophobicContact CE2-CB 3.84Å; Y146-L148 HydrophobicContact CE2-CD1 4.28Å; Y146-L148 HydrophobicContact CE2-CD2 4.25Å; Y146-L148 HydrophobicContact CE2-CG 4.34Å; Y146-L148 PolarHBondContact O-N 2.98Å
147Q92.3Very high95.4Very high58 Ų5844.2 Ų44.227%0.27121%0.212SC..THydrogen-bonded Turntrans-91.291.4-171.4-54.8-59.6-35.500111.6T84 V233 A235 R242T84-Q147 VanDerWaalsContact CG2-O 3.27Å; T84-Q147 WeakPolarHBondContact CG2-O 3.43Å; Q147-V233 PolarHBondContact NE2-O 3.34Å; Q147-A235 HydrophobicContact CG-CB 3.79Å; Q147-R242 VanDerWaalsContact OE1-CZ 3.29Å
148L95.2Very high95.3Very high7 Ų744 Ų444%0.03721%0.214CC..  trans-114.2149.9177.4-167.164.7000112.2T84 M85 Y140 H143 Y146 T152T84-L148 HydrophobicContact CG2-CD1 3.99Å; M85-L148 HydrophobicContact CG-CD1 3.84Å; M85-L148 HydrophobicContact CG-CD2 4.05Å; M85-L148 HydrophobicContact SD-CD2 4.12Å; Y140-L148 HydrophobicContact CD2-CD2 3.61Å; Y140-L148 HydrophobicContact CE2-CD2 3.8Å; H143-L148 HydrophobicContact CB-CB 4.05Å; H143-L148 HydrophobicContact CB-CD2 3.62Å; H143-L148 HydrophobicContact CB-CG 4.49Å; Y146-L148 HydrophobicContact CD2-CB 4.24Å; Y146-L148 HydrophobicContact CE2-CB 3.84Å; Y146-L148 HydrophobicContact CE2-CD1 4.28Å; Y146-L148 HydrophobicContact CE2-CD2 4.25Å; Y146-L148 HydrophobicContact CE2-CG 4.34Å; Y146-L148 PolarHBondContact O-N 2.98Å; L148-T152 HydrophobicContact CD1-CG2 4.26Å; L148-T152 HydrophobicContact CD2-CG2 4.15Å; L148-T152 HydrophobicContact CG-CG2 4.4Å
149S93.9Very high95.3Very high21 Ų2140.8 Ų40.815%0.14720%0.196CC..  trans-74.4136.1176.3-172.90000111.7S151 T152S149-S151 PolarHBondContact O-N 3.34Å; S149-S151 VanDerWaalsContact O-N 3.1Å; S149-S151 PolarHBondContact OG-N 3.44Å; S149-T152 WeakPolarHBondContact O-CB 3.33Å; S149-T152 PolarHBondContact O-N 3.34Å; S149-T152 PolarHBondContact O-OG1 2.84Å
150D92.6Very high95.2Very high38 Ų3845 Ų4520%0.20322%0.219CC..THydrogen-bonded Turntrans-58.2-25.4174.1-66.6-28.8000112.8T152 K270 I273D150-T152 VanDerWaalsContact C-N 3.32Å; D150-T152 PolarHBondContact O-N 3.08Å; D150-K270 WeakPolarHBondContact OD2-CD 3.35Å; D150-K270 WeakPolarHBondContact OD2-CE 3.07Å; D150-K270 IonicContact OD2-NZ 2.91Å; D150-K270 PolarHBondContact OD2-NZ 3.43Å; D150-I273 HydrophobicContact CB-CD1 3.63Å
151S95.5Very high95.2Very high13 Ų1347.5 Ų47.59%0.09123%0.228CC..THydrogen-bonded Turntrans-83.2-3.4-179.3-56.10000113.9S149 K153 Y154 Y155 R176S149-S151 PolarHBondContact O-N 3.34Å; S149-S151 VanDerWaalsContact O-N 3.1Å; S149-S151 PolarHBondContact OG-N 3.44Å; S151-K153 PolarHBondContact O-N 2.9Å; S151-Y154 WeakPolarHBondContact O-CB 3.27Å; S151-Y154 PolarHBondContact O-N 3.09Å; S151-Y155 VanDerWaalsContact O-CD2 3.3Å; S151-Y155 WeakPolarHBondContact O-CD2 3.34Å; S151-Y155 PolarHBondContact O-N 3.47Å; S151-R176 WeakPolarHBondContact OG-CB 3.46Å; S151-R176 PolarHBondContact OG-O 3.04Å
152T97.3Very high95.4Very high1 Ų142.4 Ų42.41%0.00620%0.201CC..Hα-helixtrans-57.1-52-174.1-66.60000112.5S81 M85 Y140 L148 S149 D150 Y154 Y155 L156S81-T152 VanDerWaalsContact CB-OG1 3.25Å; S81-T152 WeakPolarHBondContact CB-OG1 3.31Å; S81-T152 PolarHBondContact OG-OG1 3.5Å; M85-T152 HydrophobicContact CE-CG2 4.1Å; M85-T152 HydrophobicContact SD-CG2 4.16Å; Y140-T152 HydrophobicContact CD2-CG2 4.43Å; Y140-T152 HydrophobicContact CE2-CG2 4.32Å; L148-T152 HydrophobicContact CD1-CG2 4.26Å; L148-T152 HydrophobicContact CD2-CG2 4.15Å; L148-T152 HydrophobicContact CG-CG2 4.4Å; S149-T152 WeakPolarHBondContact O-CB 3.33Å; S149-T152 PolarHBondContact O-N 3.34Å; S149-T152 PolarHBondContact O-OG1 2.84Å; D150-T152 VanDerWaalsContact C-N 3.32Å; D150-T152 PolarHBondContact O-N 3.08Å; T152-Y154 VanDerWaalsContact C-N 3.3Å; T152-Y154 PolarHBondContact O-N 2.71Å; T152-Y155 PolarHBondContact O-N 2.8Å; T152-L156 HydrophobicContact CG2-CD1 3.55Å; T152-L156 HydrophobicContact CG2-CG 4.28Å; T152-L156 WeakPolarHBondContact O-CB 3.32Å; T152-L156 WeakPolarHBondContact O-CG 3.28Å; T152-L156 PolarHBondContact O-N 3.45Å
153K96.9Very high95.5Very high85 Ų8539.3 Ų39.337%0.3719%0.19SC..Hα-helixtrans-61.6-37.9179.7175.5175.9178.1179.90112.5W131 Y140 S151 T157 E276W131-K153 HydrophobicContact CZ2-CB 4.46Å; W131-K153 HydrophobicContact CZ2-CG 4.38Å; Y140-K153 HydrophobicContact CE1-CB 4.28Å; Y140-K153 HydrophobicContact CE1-CD 3.96Å; Y140-K153 HydrophobicContact CE2-CB 4.15Å; Y140-K153 VanDerWaalsContact OH-CB 3.22Å; Y140-K153 WeakPolarHBondContact OH-CB 3.46Å; S151-K153 PolarHBondContact O-N 2.9Å; K153-T157 WeakPolarHBondContact O-CB 3.44Å; K153-T157 PolarHBondContact O-N 2.9Å; K153-T157 PolarHBondContact O-OG1 2.75Å; K153-E276 IonicContact NZ-OE1 2.75Å; K153-E276 PolarHBondContact NZ-OE1 3.35Å
154Y97.6Very high95.6Very high45 Ų4543.2 Ų43.218%0.17621%0.208CC..Hα-helixtrans-58.7-53.1177169.3-93.7000111.2S151 T152 D158 R161 Q172 D173 R176S151-Y154 WeakPolarHBondContact O-CB 3.27Å; S151-Y154 PolarHBondContact O-N 3.09Å; T152-Y154 VanDerWaalsContact C-N 3.3Å; T152-Y154 PolarHBondContact O-N 2.71Å; Y154-D158 PolarHBondContact O-N 2.86Å; Y154-R161 PolarHBondContact OH-NH2 2.78Å; Y154-Q172 HydrophobicContact CE2-CB 4.4Å; Y154-Q172 WeakPolarHBondContact OH-CB 3.35Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.4Å; Y154-D173 PolarHBondContact OH-N 3.06Å; Y154-D173 PolarHBondContact OH-OD1 2.81Å; Y154-R176 HydrophobicContact CD1-CB 4.45Å
155Y98.3Very high95.7Very high1 Ų145.3 Ų45.30%0.00423%0.233CC..Hα-helixtrans-71.5-38.2-177.5-65.3-57000113.7V74 N77 I78 S151 T152 D158 L159 I162 D173 R176 V177V74-Y155 HydrophobicContact CB-CE1 4.44Å; V74-Y155 HydrophobicContact CG1-CD1 3.72Å; V74-Y155 HydrophobicContact CG1-CE1 3.59Å; V74-Y155 HydrophobicContact CG1-CG 4.44Å; V74-Y155 HydrophobicContact CG2-CE1 4.11Å; N77-Y155 HydrophobicContact CB-CE2 4.33Å; I78-Y155 HydrophobicContact CG1-CG 4.26Å; S151-Y155 VanDerWaalsContact O-CD2 3.3Å; S151-Y155 WeakPolarHBondContact O-CD2 3.34Å; S151-Y155 PolarHBondContact O-N 3.47Å; T152-Y155 PolarHBondContact O-N 2.8Å; Y155-D158 CarbonylContact O-C 3.55Å; Y155-D158 PolarHBondContact O-N 3.23Å; Y155-L159 PolarHBondContact O-N 3.4Å; Y155-L159 VanDerWaalsContact O-N 3.14Å; Y155-I162 HydrophobicContact CD1-CD1 3.74Å; Y155-I162 HydrophobicContact CG-CD1 4.43Å; Y155-I162 WeakPolarHBondContact O-CD1 3.44Å; Y155-D173 HydrophobicContact CE1-CB 4.36Å; Y155-D173 PolarHBondContact OH-O 3.38Å; Y155-R176 HydrophobicContact CE2-CB 4.39Å; Y155-R176 WeakPolarHBondContact OH-CB 3.36Å; Y155-V177 WeakPolarHBondContact OH-CA 3.28Å; Y155-V177 WeakPolarHBondContact OH-CB 3.5Å; Y155-V177 PolarHBondContact OH-N 3.41Å
156L98Very high95.9Very high6 Ų646 Ų463%0.03125%0.248CC..Hα-helixtrans-72.2-30.5-178.7-67178.9000112.7I78 M82 M85 I127 W131 T152 L159I78-L156 HydrophobicContact CG2-CD2 3.98Å; M82-L156 HydrophobicContact CE-CD1 4.02Å; M82-L156 HydrophobicContact CE-CD2 4.21Å; M85-L156 HydrophobicContact CE-CD1 3.48Å; M85-L156 VanDerWaalsContact CE-CD1 3.48Å; I127-L156 HydrophobicContact CG2-CD2 3.63Å; W131-L156 HydrophobicContact CD2-CB 3.71Å; W131-L156 HydrophobicContact CD2-CD1 3.76Å; W131-L156 HydrophobicContact CD2-CG 4.36Å; W131-L156 HydrophobicContact CE3-CB 4.24Å; W131-L156 HydrophobicContact CE3-CD1 3.4Å; W131-L156 VanDerWaalsContact CE3-CD1 3.4Å; W131-L156 HydrophobicContact CE3-CG 4.45Å; W131-L156 HydrophobicContact CG-CB 3.92Å; W131-L156 HydrophobicContact CG-CD1 4.4Å; W131-L156 HydrophobicContact CH2-CD1 4.33Å; W131-L156 HydrophobicContact CZ2-CB 4.25Å; W131-L156 HydrophobicContact CZ3-CD1 3.72Å; T152-L156 HydrophobicContact CG2-CD1 3.55Å; T152-L156 HydrophobicContact CG2-CG 4.28Å; T152-L156 WeakPolarHBondContact O-CB 3.32Å; T152-L156 WeakPolarHBondContact O-CG 3.28Å; T152-L156 PolarHBondContact O-N 3.45Å; L156-L159 WeakPolarHBondContact O-CB 3.12Å
157T97.1Very high96.1Very high89 Ų8946 Ų4655%0.54625%0.248SC..Hα-helixtrans-70.1-37.1173.4-54.90000111.4K153 L159K153-T157 WeakPolarHBondContact O-CB 3.44Å; K153-T157 PolarHBondContact O-N 2.9Å; K153-T157 PolarHBondContact O-OG1 2.75Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 2.94Å
158D96.9Very high96.3Very high59 Ų5946.1 Ų46.132%0.31625%0.25SS..THydrogen-bonded Turntrans-93.517.6-179.3-9118.8000113.7Y154 Y155 D160 R161 I162Y154-D158 PolarHBondContact O-N 2.86Å; Y155-D158 CarbonylContact O-C 3.55Å; Y155-D158 PolarHBondContact O-N 3.23Å; D158-D160 PolarHBondContact O-N 3.41Å; D158-D160 VanDerWaalsContact O-N 3.08Å; D158-R161 WeakPolarHBondContact O-CB 3.37Å; D158-R161 PolarHBondContact O-N 3.43Å; D158-R161 IonicContact OD2-CZ 2.69Å; D158-R161 IonicContact OD2-NE 3.11Å; D158-R161 PolarHBondContact OD2-NE 3.48Å; D158-R161 VanDerWaalsContact OD2-NE 3.08Å; D158-R161 IonicContact OD2-NH2 3.47Å; D158-R161 PolarHBondContact OD2-NH2 3.17Å; D158-I162 HydrophobicContact CB-CD1 4.15Å; D158-I162 WeakPolarHBondContact O-CG1 3.41Å; D158-I162 PolarHBondContact O-N 2.9Å; D158-I162 VanDerWaalsContact O-N 3.16Å
159L97.4Very high96.5Very high5 Ų545.9 Ų45.93%0.02625%0.249CC..Hα-helixtrans-55-36.3-172.8-174.563.7000112.5I78 V124 I127 R128 Y155 L156 T157 R161 I162 S163I78-L159 HydrophobicContact CD1-CD1 4.18Å; I78-L159 HydrophobicContact CG2-CD1 4.3Å; V124-L159 HydrophobicContact CG1-CD2 4.16Å; V124-L159 HydrophobicContact CG1-CG 4.15Å; I127-L159 HydrophobicContact CB-CD2 4.1Å; I127-L159 HydrophobicContact CG2-CD2 3.73Å; R128-L159 HydrophobicContact CB-CD2 4.18Å; Y155-L159 PolarHBondContact O-N 3.4Å; Y155-L159 VanDerWaalsContact O-N 3.14Å; L156-L159 WeakPolarHBondContact O-CB 3.12Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 2.94Å; L159-R161 VanDerWaalsContact C-N 3.34Å; L159-R161 PolarHBondContact O-N 2.88Å; L159-I162 PolarHBondContact O-N 3.13Å; L159-S163 VanDerWaalsContact O-CB 3.31Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 3.18Å; L159-S163 PolarHBondContact O-OG 3.49Å
160D95.8Very high96.6Very high89 Ų8947.9 Ų47.948%0.47626%0.258SS..Hα-helixtrans-64.9-34.3179.8-67.2-18.7000113.3R128 D158 S163 Q164R128-D160 IonicContact CZ-OD1 3.35Å; R128-D160 VanDerWaalsContact CZ-OD1 3.23Å; R128-D160 IonicContact NE-OD1 2.68Å; R128-D160 PolarHBondContact NE-OD1 3.3Å; R128-D160 IonicContact NH2-OD1 2.92Å; R128-D160 PolarHBondContact NH2-OD1 2.76Å; D158-D160 PolarHBondContact O-N 3.41Å; D158-D160 VanDerWaalsContact O-N 3.08Å; D160-S163 PolarHBondContact O-OG 2.99Å; D160-Q164 WeakPolarHBondContact O-CG 3.49Å; D160-Q164 PolarHBondContact O-NE2 3.42Å
161R97.2Very high96.8Very high76 Ų7649.3 Ų49.329%0.28727%0.265SS..Hα-helixtrans-71.9-42.1174.3176.8-178.565.281.22.4110.3Y154 D158 L159 D170 D173Y154-R161 PolarHBondContact OH-NH2 2.78Å; D158-R161 WeakPolarHBondContact O-CB 3.37Å; D158-R161 PolarHBondContact O-N 3.43Å; D158-R161 IonicContact OD2-CZ 2.69Å; D158-R161 IonicContact OD2-NE 3.11Å; D158-R161 PolarHBondContact OD2-NE 3.48Å; D158-R161 VanDerWaalsContact OD2-NE 3.08Å; D158-R161 IonicContact OD2-NH2 3.47Å; D158-R161 PolarHBondContact OD2-NH2 3.17Å; L159-R161 VanDerWaalsContact C-N 3.34Å; L159-R161 PolarHBondContact O-N 2.88Å; R161-D170 IonicContact CZ-OD2 2.97Å; R161-D170 IonicContact NH1-OD2 2.96Å; R161-D173 IonicContact CZ-OD1 3.45Å; R161-D173 IonicContact CZ-OD2 2.93Å; R161-D173 IonicContact NH1-OD1 3.21Å; R161-D173 IonicContact NH1-OD2 2.58Å; R161-D173 PolarHBondContact NH1-OD2 3.43Å; R161-D173 IonicContact NH2-OD1 3.86Å; R161-D173 PolarHBondContact NH2-OD1 3.28Å; R161-D173 IonicContact NH2-OD2 3.35Å; R161-D173 PolarHBondContact NH2-OD2 3.33Å
162I97.8Very high96.9Very high1 Ų151.8 Ų51.81%0.00528%0.275CS..Hα-helixtrans-73.7-31-174.3-61.6165000111.6V74 F75 I78 L119 Y155 D158 L159 Q164 Y167V74-I162 HydrophobicContact CG1-CD1 4.46Å; V74-I162 HydrophobicContact CG1-CG2 4.02Å; F75-I162 HydrophobicContact CD1-CG2 4.03Å; F75-I162 HydrophobicContact CE1-CG2 3.8Å; I78-I162 HydrophobicContact CD1-CD1 4.15Å; I78-I162 HydrophobicContact CD1-CG2 3.78Å; L119-I162 HydrophobicContact CD1-CG2 3.93Å; Y155-I162 HydrophobicContact CD1-CD1 3.74Å; Y155-I162 HydrophobicContact CG-CD1 4.43Å; Y155-I162 WeakPolarHBondContact O-CD1 3.44Å; D158-I162 HydrophobicContact CB-CD1 4.15Å; D158-I162 WeakPolarHBondContact O-CG1 3.41Å; D158-I162 PolarHBondContact O-N 2.9Å; D158-I162 VanDerWaalsContact O-N 3.16Å; L159-I162 PolarHBondContact O-N 3.13Å; I162-Q164 VanDerWaalsContact C-N 3.29Å; I162-Q164 PolarHBondContact O-N 2.77Å; I162-Y167 HydrophobicContact CB-CD2 4.49Å; I162-Y167 HydrophobicContact CB-CE2 4.24Å; I162-Y167 HydrophobicContact CG1-CE2 3.97Å; I162-Y167 HydrophobicContact CG2-CD1 4.29Å; I162-Y167 HydrophobicContact CG2-CE1 3.88Å; I162-Y167 HydrophobicContact CG2-CE2 4.25Å; I162-Y167 WeakPolarHBondContact O-CB 3.26Å; I162-Y167 VanDerWaalsContact O-CG 3.31Å
163S96.7Very high97Very high7 Ų751.7 Ų51.75%0.04928%0.275CS..THydrogen-bonded Turntrans-82.51.1-178.670.80000114.7Q121 L159 D160Q121-S163 PolarHBondContact NE2-O 3.46Å; L159-S163 VanDerWaalsContact O-CB 3.31Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 3.18Å; L159-S163 PolarHBondContact O-OG 3.49Å; D160-S163 PolarHBondContact O-OG 2.99Å
164Q96.3Very high97Very high102 Ų10247.7 Ų47.748%0.47726%0.257SS..SBendtrans-70.3142.2178.6-64.4-56.5-45.500111.2D160 I162 S166 Y167D160-Q164 WeakPolarHBondContact O-CG 3.49Å; D160-Q164 PolarHBondContact O-NE2 3.42Å; I162-Q164 VanDerWaalsContact C-N 3.29Å; I162-Q164 PolarHBondContact O-N 2.77Å; Q164-S166 PolarHBondContact O-N 2.81Å; Q164-S166 VanDerWaalsContact O-N 3.13Å; Q164-Y167 WeakPolarHBondContact O-CB 3.46Å; Q164-Y167 PolarHBondContact O-N 2.9Å
165P92.8Very high97Very high129 Ų12945.6 Ų45.684%0.83825%0.249SC*.THydrogen-bonded Turntrans-59.6-26.1176.3-2534.2000114.1Y167P165-Y167 VanDerWaalsContact C-N 3.33Å
166S94.9Very high96.9Very high105 Ų10548.4 Ų48.473%0.73426%0.26SS*.THydrogen-bonded Turntrans-92.612.9177.155.80000113.5Q164 L168Q164-S166 PolarHBondContact O-N 2.81Å; Q164-S166 VanDerWaalsContact O-N 3.13Å; S166-L168 PolarHBondContact O-N 2.83Å
167Y97.4Very high96.8Very high29 Ų2948.3 Ų48.311%0.11426%0.259CS..  trans-57.4123.5-177.6171.9-116.9000111.5A71 F75 I162 Q164 P165 P169 D173A71-Y167 HydrophobicContact CB-CD1 4.27Å; A71-Y167 HydrophobicContact CB-CE1 4.14Å; F75-Y167 HydrophobicContact CD1-CE1 4.49Å; F75-Y167 AromaticContact CE1-CD1 3.55Å; F75-Y167 HydrophobicContact CE1-CD1 3.55Å; F75-Y167 AromaticContact CE1-CE1 3.6Å; F75-Y167 HydrophobicContact CE1-CE1 3.6Å; F75-Y167 AromaticContact CZ-CD1 3.69Å; F75-Y167 HydrophobicContact CZ-CD1 3.69Å; F75-Y167 HydrophobicContact CZ-CE1 4.07Å; I162-Y167 HydrophobicContact CB-CD2 4.49Å; I162-Y167 HydrophobicContact CB-CE2 4.24Å; I162-Y167 HydrophobicContact CG1-CE2 3.97Å; I162-Y167 HydrophobicContact CG2-CD1 4.29Å; I162-Y167 HydrophobicContact CG2-CE1 3.88Å; I162-Y167 HydrophobicContact CG2-CE2 4.25Å; I162-Y167 WeakPolarHBondContact O-CB 3.26Å; I162-Y167 VanDerWaalsContact O-CG 3.31Å; Q164-Y167 WeakPolarHBondContact O-CB 3.46Å; Q164-Y167 PolarHBondContact O-N 2.9Å; P165-Y167 VanDerWaalsContact C-N 3.33Å; Y167-P169 HydrophobicContact CD1-CG 4.5Å; Y167-P169 HydrophobicContact CE1-CG 3.71Å; Y167-D173 PolarHBondContact OH-OD2 3.5Å
168L97.5Very high96.6Very high61 Ų6148.2 Ų48.232%0.31925%0.249SC..  trans-124.4116.6171-177.167.2000106.7D64 K67 R68 S166 D170D64-L168 HydrophobicContact CB-CD2 4.35Å; K67-L168 HydrophobicContact CB-CD1 3.71Å; K67-L168 HydrophobicContact CB-CG 4.16Å; K67-L168 HydrophobicContact CD-CD2 4.27Å; K67-L168 HydrophobicContact CD-CG 4.23Å; R68-L168 HydrophobicContact CG-CD1 3.58Å; S166-L168 PolarHBondContact O-N 2.83Å; L168-D170 PolarHBondContact O-N 3.08Å
169P98.1Very high96.3Very high1 Ų148.7 Ų48.71%0.00625%0.254CS..  trans-54.4132.6178.8-27.534.6000111.5K67 A71 Y167 D173 I174K67-P169 WeakPolarHBondContact CD-O 3.47Å; K67-P169 WeakPolarHBondContact CG-O 3.23Å; K67-P169 WeakPolarHBondContact O-CD 3.44Å; K67-P169 VanDerWaalsContact O-CG 3.29Å; K67-P169 WeakPolarHBondContact O-CG 3.43Å; A71-P169 HydrophobicContact CB-CG 3.88Å; Y167-P169 HydrophobicContact CD1-CG 4.5Å; Y167-P169 HydrophobicContact CE1-CG 3.71Å; P169-D173 WeakPolarHBondContact CA-OD2 3.42Å; P169-D173 HydrophobicContact CB-CB 3.88Å; P169-I174 HydrophobicContact CB-CG1 4.32Å
170D97.1Very high95.9Very high64 Ų6452.2 Ų52.234%0.34228%0.277SS..  trans-82.9-179.7170.668.531.8000111.2R161 L168 Q172 D173 I174R161-D170 IonicContact CZ-OD2 2.97Å; R161-D170 IonicContact NH1-OD2 2.96Å; L168-D170 PolarHBondContact O-N 3.08Å; D170-Q172 VanDerWaalsContact C-N 3.26Å; D170-Q172 PolarHBondContact O-N 3.4Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.36Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.32Å; D170-Q172 PolarHBondContact OD1-N 3.17Å; D170-D173 PolarHBondContact N-OD2 2.8Å; D170-D173 PolarHBondContact O-N 3.4Å; D170-D173 PolarHBondContact OD1-N 2.86Å; D170-I174 WeakPolarHBondContact O-CG1 3.46Å; D170-I174 PolarHBondContact O-N 3.35Å; D170-I174 VanDerWaalsContact O-N 3.12Å
171L96.9Very high95.4Very high67 Ų6749.2 Ų49.235%0.35126%0.262SS..Hα-helixtrans-66.3-29.6179.7-64.5-179.1000112.4I56 Y62 I174 L175I56-L171 HydrophobicContact CD1-CB 4.48Å; I56-L171 HydrophobicContact CD1-CD1 4.49Å; I56-L171 HydrophobicContact CD1-CD2 4.26Å; I56-L171 HydrophobicContact CG1-CD2 4.36Å; I56-L171 HydrophobicContact CG2-CD1 4.31Å; Y62-L171 HydrophobicContact CD2-CD2 3.86Å; Y62-L171 HydrophobicContact CG-CD2 4.44Å; L171-I174 PolarHBondContact O-N 2.92Å; L171-L175 WeakPolarHBondContact O-CB 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.43Å; L171-L175 PolarHBondContact O-N 3.02Å
172Q97.3Very high94.9Very high65 Ų6550.6 Ų50.630%0.30428%0.279SS..Hα-helixtrans-71.3-39.8177-76.9-63.3-1900111.2Y154 D170 I174 L175 R176 T327Y154-Q172 HydrophobicContact CE2-CB 4.4Å; Y154-Q172 WeakPolarHBondContact OH-CB 3.35Å; D170-Q172 VanDerWaalsContact C-N 3.26Å; D170-Q172 PolarHBondContact O-N 3.4Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.36Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.32Å; D170-Q172 PolarHBondContact OD1-N 3.17Å; Q172-I174 VanDerWaalsContact C-N 3.3Å; Q172-I174 PolarHBondContact O-N 3.17Å; Q172-L175 PolarHBondContact O-N 3.45Å; Q172-R176 VanDerWaalsContact O-CB 3.28Å; Q172-R176 WeakPolarHBondContact O-CB 3.47Å; Q172-R176 WeakPolarHBondContact O-CG 3.44Å; Q172-R176 PolarHBondContact O-N 3.28Å; Q172-T327 PolarHBondContact NE2-O 3.39Å
173D98Very high94.3Very high0 Ų051.5 Ų51.50%029%0.289CS..Hα-helixtrans-57.4-45.8171.8-60.4-35.1000110.7V74 Y154 Y155 R161 Y167 P169 D170 R176 V177V74-D173 HydrophobicContact CG2-CB 4.28Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.4Å; Y154-D173 PolarHBondContact OH-N 3.06Å; Y154-D173 PolarHBondContact OH-OD1 2.81Å; Y155-D173 HydrophobicContact CE1-CB 4.36Å; Y155-D173 PolarHBondContact OH-O 3.38Å; R161-D173 IonicContact CZ-OD1 3.45Å; R161-D173 IonicContact CZ-OD2 2.93Å; R161-D173 IonicContact NH1-OD1 3.21Å; R161-D173 IonicContact NH1-OD2 2.58Å; R161-D173 PolarHBondContact NH1-OD2 3.43Å; R161-D173 IonicContact NH2-OD1 3.86Å; R161-D173 PolarHBondContact NH2-OD1 3.28Å; R161-D173 IonicContact NH2-OD2 3.35Å; R161-D173 PolarHBondContact NH2-OD2 3.33Å; Y167-D173 PolarHBondContact OH-OD2 3.5Å; P169-D173 WeakPolarHBondContact CA-OD2 3.42Å; P169-D173 HydrophobicContact CB-CB 3.88Å; D170-D173 PolarHBondContact N-OD2 2.8Å; D170-D173 PolarHBondContact O-N 3.4Å; D170-D173 PolarHBondContact OD1-N 2.86Å; D173-R176 PolarHBondContact O-N 3.11Å; D173-V177 WeakPolarHBondContact O-CB 3.47Å; D173-V177 PolarHBondContact O-N 3.03Å
174I97.5Very high94Very high0 Ų054.1 Ų54.10%030%0.301CS..Hα-helixtrans-67.3-39.6179.2-67.3172.8000112K52 Y62 K67 Y70 P169 D170 L171 Q172 R176 V177K52-I174 HydrophobicContact CD-CG2 4.33Å; K52-I174 VanDerWaalsContact CD-O 3.29Å; K52-I174 WeakPolarHBondContact CD-O 3.44Å; K52-I174 WeakPolarHBondContact CE-O 3.49Å; K52-I174 PolarHBondContact NZ-O 2.96Å; Y62-I174 HydrophobicContact CD1-CD1 4.18Å; Y62-I174 HydrophobicContact CD1-CG2 4.36Å; Y62-I174 HydrophobicContact CD2-CD1 4.5Å; Y62-I174 HydrophobicContact CD2-CG2 4.4Å; Y62-I174 HydrophobicContact CE1-CG2 3.97Å; Y62-I174 HydrophobicContact CE2-CG2 4.01Å; Y62-I174 HydrophobicContact CG-CD1 4.03Å; K67-I174 HydrophobicContact CB-CD1 4.29Å; K67-I174 HydrophobicContact CG-CD1 3.68Å; Y70-I174 HydrophobicContact CD1-CG1 4.45Å; Y70-I174 HydrophobicContact CD1-CG2 4.42Å; Y70-I174 HydrophobicContact CD2-CD1 3.91Å; Y70-I174 HydrophobicContact CD2-CG1 3.86Å; Y70-I174 HydrophobicContact CD2-CG2 4.28Å; Y70-I174 HydrophobicContact CE1-CG2 4.18Å; Y70-I174 HydrophobicContact CE2-CD1 4.41Å; Y70-I174 HydrophobicContact CE2-CG1 4.47Å; Y70-I174 HydrophobicContact CE2-CG2 4.09Å; Y70-I174 HydrophobicContact CG-CD1 4.4Å; Y70-I174 HydrophobicContact CG-CG1 3.86Å; Y70-I174 HydrophobicContact CG-CG2 4.46Å; P169-I174 HydrophobicContact CB-CG1 4.32Å; D170-I174 WeakPolarHBondContact O-CG1 3.46Å; D170-I174 PolarHBondContact O-N 3.35Å; D170-I174 VanDerWaalsContact O-N 3.12Å; L171-I174 PolarHBondContact O-N 2.92Å; Q172-I174 VanDerWaalsContact C-N 3.3Å; Q172-I174 PolarHBondContact O-N 3.17Å; I174-R176 VanDerWaalsContact C-N 3.32Å; I174-R176 PolarHBondContact O-N 3.39Å; I174-V177 WeakPolarHBondContact O-CG1 3.44Å
175L97Very high93.6Very high2 Ų253.3 Ų53.31%0.0130%0.3CS..Hα-helixtrans-66-37.9178.1-74.5167.6000111.6T49 K52 Q53 I56 L171 Q172T49-L175 HydrophobicContact CG2-CB 4.35Å; T49-L175 HydrophobicContact CG2-CD2 4.08Å; T49-L175 WeakPolarHBondContact CG2-O 3.2Å; K52-L175 HydrophobicContact CB-CD2 3.89Å; Q53-L175 HydrophobicContact CG-CD2 3.69Å; Q53-L175 VanDerWaalsContact NE2-CD1 3.34Å; I56-L175 HydrophobicContact CD1-CD1 4.26Å; I56-L175 HydrophobicContact CD1-CD2 4.03Å; I56-L175 HydrophobicContact CD1-CG 4.17Å; L171-L175 WeakPolarHBondContact O-CB 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.43Å; L171-L175 PolarHBondContact O-N 3.02Å; Q172-L175 PolarHBondContact O-N 3.45Å
176R97Very high93.5Very high59 Ų5951.6 Ų51.622%0.22328%0.28CS..Hα-helixtrans-84.3-19.3-175.7-73.9177.6176.4-94.21114.6S151 Y154 Y155 Q172 D173 I174 R178 T327S151-R176 WeakPolarHBondContact OG-CB 3.46Å; S151-R176 PolarHBondContact OG-O 3.04Å; Y154-R176 HydrophobicContact CD1-CB 4.45Å; Y155-R176 HydrophobicContact CE2-CB 4.39Å; Y155-R176 WeakPolarHBondContact OH-CB 3.36Å; Q172-R176 VanDerWaalsContact O-CB 3.28Å; Q172-R176 WeakPolarHBondContact O-CB 3.47Å; Q172-R176 WeakPolarHBondContact O-CG 3.44Å; Q172-R176 PolarHBondContact O-N 3.28Å; D173-R176 PolarHBondContact O-N 3.11Å; I174-R176 VanDerWaalsContact C-N 3.32Å; I174-R176 PolarHBondContact O-N 3.39Å; R176-R178 PolarHBondContact O-N 2.82Å; R176-T327 HydrophobicContact CG-CG2 4.02Å
177V96.4Very high93.3Very high4 Ų449 Ų492%0.02426%0.255CS..  trans-70.2127.1-175.671.30000110.1K52 Y70 L73 V74 Y155 D173 I174K52-V177 PolarHBondContact NZ-O 3.24Å; Y70-V177 HydrophobicContact CD1-CG1 3.58Å; Y70-V177 HydrophobicContact CE1-CG1 3.97Å; L73-V177 HydrophobicContact CB-CG2 3.62Å; V74-V177 HydrophobicContact CG2-CB 4.22Å; V74-V177 HydrophobicContact CG2-CG2 4.07Å; Y155-V177 WeakPolarHBondContact OH-CA 3.28Å; Y155-V177 WeakPolarHBondContact OH-CB 3.5Å; Y155-V177 PolarHBondContact OH-N 3.41Å; D173-V177 WeakPolarHBondContact O-CB 3.47Å; D173-V177 PolarHBondContact O-N 3.03Å; I174-V177 WeakPolarHBondContact O-CG1 3.44Å
178R92.6Very high92.9Very high87 Ų8750.7 Ų50.733%0.32827%0.269SS..  trans-91.1124.7-179.3-178.4-179.9171.6156.23.7109.6E44 N77 R176E44-R178 VanDerWaalsContact CD-CZ 3.44Å; E44-R178 IonicContact OE1-CZ 2.7Å; E44-R178 IonicContact OE1-NH1 2.76Å; E44-R178 PolarHBondContact OE1-NH1 2.96Å; E44-R178 IonicContact OE1-NH2 2.91Å; E44-R178 PolarHBondContact OE1-NH2 3.08Å; E44-R178 IonicContact OE2-NH1 3.04Å; N77-R178 PolarHBondContact ND2-O 2.64Å; N77-R178 VanDerWaalsContact OD1-CB 3.23Å; N77-R178 WeakPolarHBondContact OD1-CB 3.4Å; N77-R178 PolarHBondContact OD1-N 3.22Å; R176-R178 PolarHBondContact O-N 2.82Å
179V90.8Very high92.4Very high69 Ų6948.2 Ų48.242%0.41826%0.256SS..  trans-128.5121168.2-176.90000106.4L73 T181L73-V179 HydrophobicContact CD1-CG2 3.77Å; L73-V179 HydrophobicContact CD2-CG2 4.33Å; L73-V179 HydrophobicContact CG-CG2 4.5Å; V179-T181 PolarHBondContact O-N 3.45Å; V179-T181 VanDerWaalsContact O-N 3.14Å
180P87.7Confident91.7Very high79 Ų7953.9 Ų53.951%0.51329%0.286SS..  trans-60.6116.7175.3-22.433.5000110.7T182P180-T182 PolarHBondContact O-N 2.98Å
181T86.5Confident90.8Very high27 Ų2751.8 Ų51.817%0.16628%0.275CS..  trans-71.1118.7175.6-51.30000109.8S48 V179 I185 G202S48-T181 PolarHBondContact OG-OG1 2.69Å; V179-T181 PolarHBondContact O-N 3.45Å; V179-T181 VanDerWaalsContact O-N 3.14Å; T181-I185 HydrophobicContact CG2-CD1 3.85Å; T181-I185 HydrophobicContact CG2-CG1 4.31Å; T181-G202 WeakPolarHBondContact O-CA 3.44Å
182T86.4Confident89.9Confident105 Ų10555.6 Ų55.664%0.64429%0.291SS*.  trans-109.8134173.158.30000109.5P180P180-T182 PolarHBondContact O-N 2.98Å
183G86.3Confident89Confident20 Ų2058.9 Ų58.921%0.20631%0.311CS..SBendtrans75.9-149.5-178.500000114.4G202 E207G183-G202 PolarHBondContact O-N 3.09Å; G183-E207 PolarHBondContact N-OE2 2.86Å
184I88.6Confident88.3Confident61 Ų6160.1 Ų60.131%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-120.5124.8-174.8-54.2178.9000107.4V199 D200 V201 H213 C214I184-V199 HydrophobicContact CG2-CG1 3.51Å; I184-D200 WeakPolarHBondContact CA-O 3.2Å; I184-V201 HydrophobicContact CG1-CG1 4.15Å; I184-V201 HydrophobicContact CG2-CG1 4.28Å; I184-H213 HydrophobicContact CD1-CB 4.02Å; I184-C214 HydrophobicContact CD1-CB 4.21Å; I184-C214 HydrophobicContact CG2-CB 4.39Å
185I89.1Confident87.8Confident86 Ų8661.7 Ų61.744%0.44133%0.326SS..EExtended strand (participates in β ladder)trans-118.5125.6179.3-55.8-179.6000107.9T181 D200T181-I185 HydrophobicContact CG2-CD1 3.85Å; T181-I185 HydrophobicContact CG2-CG1 4.31Å; I185-D200 HydrophobicContact CB-CB 4.21Å; I185-D200 PolarHBondContact N-O 2.98Å; I185-D200 PolarHBondContact O-N 3.3Å
186E91.1Very high87.4Confident92 Ų9261.7 Ų61.743%0.4333%0.326SS..EExtended strand (participates in β ladder)trans-106.7133.8177.9-58.9-171.4175.700110.5R197 M198 V199E186-R197 HydrophobicContact CB-CG 4.47Å; E186-R197 WeakPolarHBondContact OE2-CD 3.4Å; E186-R197 IonicContact OE2-CZ 3.96Å; E186-R197 IonicContact OE2-NE 3.85Å; E186-R197 IonicContact OE2-NH1 3.26Å; E186-R197 PolarHBondContact OE2-NH1 3.27Å; E186-M198 CarbonylContact C-O 3.59Å; E186-M198 WeakPolarHBondContact CA-O 3.25Å; E186-V199 HydrophobicContact CG-CG1 4.49Å; E186-V199 HydrophobicContact CG-CG2 4.26Å
187Y89.9Confident87.2Confident50 Ų5061.7 Ų61.720%0.19633%0.326CS..EExtended strand (participates in β ladder)trans-123.595.7177.9-172.9-104.3000109.4I51 M54 R55 F189 M198I51-Y187 HydrophobicContact CG2-CD1 4.45Å; I51-Y187 HydrophobicContact CG2-CG 4.12Å; M54-Y187 HydrophobicContact CB-CD1 4.49Å; M54-Y187 HydrophobicContact CB-CE1 4.26Å; R55-Y187 WeakPolarHBondContact CA-OH 3.4Å; R55-Y187 HydrophobicContact CB-CE1 4.39Å; R55-Y187 HydrophobicContact CB-CE2 4.29Å; R55-Y187 HydrophobicContact CG-CE2 4.48Å; Y187-F189 AromaticContact CD1-CD1 3.79Å; Y187-F189 HydrophobicContact CD1-CD1 3.79Å; Y187-F189 HydrophobicContact CE1-CB 4.03Å; Y187-F189 AromaticContact CE1-CD1 3.84Å; Y187-F189 HydrophobicContact CE1-CD1 3.84Å; Y187-F189 HydrophobicContact CE1-CG 4.29Å; Y187-M198 PolarHBondContact N-O 3.36Å; Y187-M198 PolarHBondContact O-N 2.99Å
188P89.4Confident87Confident65 Ų6561.5 Ų61.542%0.42233%0.325SS..EExtended strand (participates in β ladder)trans-77.8138.3171.732.1-32.3000110.1F196P188-F196 CarbonylContact C-O 3.47Å; P188-F196 VanDerWaalsContact CA-O 3.29Å; P188-F196 WeakPolarHBondContact CA-O 3.28Å
189F86.9Confident87.1Confident9 Ų957.4 Ų57.44%0.03931%0.309CS..EExtended strand (participates in β ladder)trans-145.5144.416764.7-87.8000110.7M54 H58 Y187 M191 F196 M198 F336M54-F189 HydrophobicContact CB-CE1 4.38Å; M54-F189 HydrophobicContact CG-CE1 4.5Å; M54-F189 HydrophobicContact SD-CZ 4.4Å; H58-F189 HydrophobicContact CB-CD2 3.82Å; H58-F189 HydrophobicContact CB-CE2 4.15Å; H58-F189 HydrophobicContact CB-CG 4.46Å; Y187-F189 AromaticContact CD1-CD1 3.79Å; Y187-F189 HydrophobicContact CD1-CD1 3.79Å; Y187-F189 HydrophobicContact CE1-CB 4.03Å; Y187-F189 AromaticContact CE1-CD1 3.84Å; Y187-F189 HydrophobicContact CE1-CD1 3.84Å; Y187-F189 HydrophobicContact CE1-CG 4.29Å; F189-M191 HydrophobicContact CE2-CB 4.41Å; F189-M191 HydrophobicContact CE2-CE 4.08Å; F189-F196 HydrophobicContact CD1-CB 4.07Å; F189-F196 HydrophobicContact CD2-CB 4.12Å; F189-F196 HydrophobicContact CE1-CB 3.58Å; F189-F196 HydrophobicContact CE2-CB 3.61Å; F189-F196 AromaticContact CE2-CD2 3.92Å; F189-F196 HydrophobicContact CE2-CD2 3.92Å; F189-F196 AromaticContact CE2-CG 3.96Å; F189-F196 HydrophobicContact CE2-CG 3.96Å; F189-F196 HydrophobicContact CG-CB 4.33Å; F189-F196 HydrophobicContact CZ-CB 3.33Å; F189-F196 HydrophobicContact CZ-CD2 4.26Å; F189-F196 AromaticContact CZ-CG 3.84Å; F189-F196 HydrophobicContact CZ-CG 3.84Å; F189-F196 PolarHBondContact N-O 3.32Å; F189-F196 PolarHBondContact O-N 3.34Å; F189-M198 HydrophobicContact CE1-CE 3.76Å; F189-M198 HydrophobicContact CE1-CG 3.96Å; F189-M198 HydrophobicContact CE1-SD 4Å; F189-M198 HydrophobicContact CZ-CE 3.85Å; F189-F336 HydrophobicContact CE2-CE1 4.24Å; F189-F336 HydrophobicContact CE2-CZ 4.35Å; F189-F336 HydrophobicContact CZ-CE1 4.09Å; F189-F336 AromaticContact CZ-CZ 3.79Å; F189-F336 HydrophobicContact CZ-CZ 3.79Å
190D83.5Confident87.2Confident120 Ų12054.3 Ų54.364%0.64229%0.291SS*.EExtended strand (participates in β ladder)trans-83136.2177.2-63.1-63000110.4I195D190-I195 WeakPolarHBondContact OD1-CG1 3.25Å
191M77.4Confident87.4Confident21 Ų2150.6 Ų50.610%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-139111.7170.8-178.9174.3-78.900109.5H58 F189 N193 V194 F196 F336 K340H58-M191 WeakPolarHBondContact CE1-CE 3.37Å; H58-M191 WeakPolarHBondContact ND1-CE 3.38Å; H58-M191 VanDerWaalsContact NE2-CE 3.32Å; H58-M191 WeakPolarHBondContact NE2-CE 3.36Å; F189-M191 HydrophobicContact CE2-CB 4.41Å; F189-M191 HydrophobicContact CE2-CE 4.08Å; M191-N193 PolarHBondContact O-N 3.32Å; M191-N193 VanDerWaalsContact O-N 3.11Å; M191-V194 CarbonylContact C-O 3.54Å; M191-V194 PolarHBondContact N-O 2.9Å; M191-V194 PolarHBondContact O-N 3.06Å; M191-F196 HydrophobicContact CB-CD2 3.79Å; M191-F196 HydrophobicContact CB-CE2 3.89Å; M191-F196 HydrophobicContact CG-CE2 4.28Å; M191-F196 HydrophobicContact SD-CD2 4.35Å; M191-F196 HydrophobicContact SD-CE2 3.84Å; M191-F336 HydrophobicContact CE-CD1 4.14Å; M191-F336 HydrophobicContact CE-CE1 3.65Å; M191-F336 HydrophobicContact SD-CE1 4.2Å; M191-K340 HydrophobicContact CG-CD 4.47Å; M191-K340 HydrophobicContact SD-CD 3.35Å; M191-K340 WeakPolarHBondContact SD-CD 3.49Å; M191-K340 HydrophobicContact SD-CG 4.01Å
192E78.3Confident87.5Confident147 Ų14749.4 Ų49.469%0.68726%0.26SS*.THydrogen-bonded Turntrans56-111.9-175.3-56.3169.6-15600111.2K340E192-K340 IonicContact OE1-NZ 2.67Å; E192-K340 PolarHBondContact OE1-NZ 3.12Å
193N78.2Confident87.4Confident134 Ų13444.7 Ų44.772%0.71723%0.232SC*.THydrogen-bonded Turntrans-106.910.1-179.8-69.4-46.6000113.4M191M191-N193 PolarHBondContact O-N 3.32Å; M191-N193 VanDerWaalsContact O-N 3.11Å
194V83.8Confident87.4Confident26 Ų2647.4 Ų47.416%0.15824%0.239CC..EExtended strand (participates in β ladder)trans-123.4140-173179.50000109.3R33 L35 M191 F196 L344R33-V194 WeakPolarHBondContact O-CG1 3.4Å; L35-V194 HydrophobicContact CB-CG1 4.42Å; L35-V194 HydrophobicContact CD1-CG1 3.51Å; L35-V194 HydrophobicContact CG-CG1 3.53Å; M191-V194 CarbonylContact C-O 3.54Å; M191-V194 PolarHBondContact N-O 2.9Å; M191-V194 PolarHBondContact O-N 3.06Å; V194-F196 HydrophobicContact CB-CE2 4.43Å; V194-F196 HydrophobicContact CG1-CD2 4.34Å; V194-F196 HydrophobicContact CG1-CE2 4.07Å; V194-F196 HydrophobicContact CG1-CZ 4.45Å; V194-L344 HydrophobicContact CG2-CD2 4.24Å
195I87Confident87.3Confident32 Ų3248.5 Ų48.516%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-99.3119176.4-58.5166.1000107D30 R33 E34 L35 D190D30-I195 HydrophobicContact CB-CD1 4.12Å; R33-I195 PolarHBondContact O-N 3.16Å; E34-I195 CarbonylContact C-O 3.57Å; E34-I195 VanDerWaalsContact CA-O 3.26Å; E34-I195 WeakPolarHBondContact CA-O 3.37Å; E34-I195 HydrophobicContact CG-CB 4.48Å; E34-I195 HydrophobicContact CG-CG2 4.31Å; L35-I195 PolarHBondContact N-O 3.3Å; D190-I195 WeakPolarHBondContact OD1-CG1 3.25Å
196F89.6Confident87.1Confident2 Ų248 Ų481%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-93127.8171.7-77.2-87.5000109.4L35 L37 P188 F189 M191 V194 K340 I343L35-F196 HydrophobicContact CB-CD1 4.02Å; L35-F196 HydrophobicContact CB-CE1 4.12Å; L35-F196 HydrophobicContact CD1-CD1 4.43Å; L35-F196 HydrophobicContact CD1-CE1 3.76Å; L35-F196 HydrophobicContact CD1-CZ 3.89Å; L37-F196 HydrophobicContact CD1-CD1 3.52Å; L37-F196 HydrophobicContact CD1-CE1 4.01Å; L37-F196 HydrophobicContact CD2-CD1 4.38Å; L37-F196 HydrophobicContact CG-CD1 3.93Å; L37-F196 HydrophobicContact CG-CE1 4.49Å; P188-F196 CarbonylContact C-O 3.47Å; P188-F196 VanDerWaalsContact CA-O 3.29Å; P188-F196 WeakPolarHBondContact CA-O 3.28Å; F189-F196 HydrophobicContact CD1-CB 4.07Å; F189-F196 HydrophobicContact CD2-CB 4.12Å; F189-F196 HydrophobicContact CE1-CB 3.58Å; F189-F196 HydrophobicContact CE2-CB 3.61Å; F189-F196 AromaticContact CE2-CD2 3.92Å; F189-F196 HydrophobicContact CE2-CD2 3.92Å; F189-F196 AromaticContact CE2-CG 3.96Å; F189-F196 HydrophobicContact CE2-CG 3.96Å; F189-F196 HydrophobicContact CG-CB 4.33Å; F189-F196 HydrophobicContact CZ-CB 3.33Å; F189-F196 HydrophobicContact CZ-CD2 4.26Å; F189-F196 AromaticContact CZ-CG 3.84Å; F189-F196 HydrophobicContact CZ-CG 3.84Å; F189-F196 PolarHBondContact N-O 3.32Å; F189-F196 PolarHBondContact O-N 3.34Å; M191-F196 HydrophobicContact CB-CD2 3.79Å; M191-F196 HydrophobicContact CB-CE2 3.89Å; M191-F196 HydrophobicContact CG-CE2 4.28Å; M191-F196 HydrophobicContact SD-CD2 4.35Å; M191-F196 HydrophobicContact SD-CE2 3.84Å; V194-F196 HydrophobicContact CB-CE2 4.43Å; V194-F196 HydrophobicContact CG1-CD2 4.34Å; V194-F196 HydrophobicContact CG1-CE2 4.07Å; V194-F196 HydrophobicContact CG1-CZ 4.45Å; F196-K340 HydrophobicContact CZ-CG 4.4Å; F196-I343 HydrophobicContact CE1-CD1 4.5Å
197R91.8Very high87Confident60 Ų6044.8 Ų44.823%0.22623%0.228CC..EExtended strand (participates in β ladder)trans-111.8102.7171.8-178.3178.1-65.4-81.1-11.9109.1E34 L35 K36 L37 E186 V199E34-R197 HydrophobicContact CG-CB 4Å; E34-R197 WeakPolarHBondContact OE1-CD 3.24Å; E34-R197 IonicContact OE1-CZ 3.29Å; E34-R197 IonicContact OE1-NE 2.74Å; E34-R197 PolarHBondContact OE1-NE 3.13Å; E34-R197 IonicContact OE2-CZ 2.82Å; E34-R197 VanDerWaalsContact OE2-CZ 3.28Å; E34-R197 IonicContact OE2-NE 3.7Å; E34-R197 PolarHBondContact OE2-NE 3.43Å; E34-R197 IonicContact OE2-NH2 2.62Å; E34-R197 PolarHBondContact OE2-NH2 2.88Å; L35-R197 PolarHBondContact O-N 2.72Å; K36-R197 WeakPolarHBondContact CA-O 3.13Å; L37-R197 PolarHBondContact N-O 2.91Å; E186-R197 HydrophobicContact CB-CG 4.47Å; E186-R197 WeakPolarHBondContact OE2-CD 3.4Å; E186-R197 IonicContact OE2-CZ 3.96Å; E186-R197 IonicContact OE2-NE 3.85Å; E186-R197 IonicContact OE2-NH1 3.26Å; E186-R197 PolarHBondContact OE2-NH1 3.27Å; R197-V199 HydrophobicContact CG-CG2 4.45Å
198M92.4Very high86.9Confident0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-84.1135172.9-76.9-170.2-175.400111L37 L39 F50 M54 E186 Y187 F189 F336L37-M198 HydrophobicContact CB-CG 4.04Å; L37-M198 HydrophobicContact CD1-CE 3.71Å; L37-M198 HydrophobicContact CD1-CG 4.2Å; L37-M198 CarbonylContact O-C 3.57Å; L37-M198 WeakPolarHBondContact O-CA 3.29Å; L39-M198 HydrophobicContact CD1-CB 3.84Å; L39-M198 HydrophobicContact CD1-CG 4.02Å; L39-M198 HydrophobicContact CD1-SD 4.25Å; F50-M198 HydrophobicContact CD1-SD 4.23Å; F50-M198 HydrophobicContact CE1-CE 3.57Å; F50-M198 HydrophobicContact CE1-SD 3.83Å; F50-M198 HydrophobicContact CZ-CE 4.19Å; M54-M198 HydrophobicContact CB-SD 4.3Å; M54-M198 HydrophobicContact CG-CE 3.56Å; M54-M198 HydrophobicContact CG-SD 3.53Å; M54-M198 VanDerWaalsContact CG-SD 3.53Å; M54-M198 HydrophobicContact SD-CE 3.72Å; M54-M198 HydrophobicContact SD-SD 4.49Å; E186-M198 CarbonylContact C-O 3.59Å; E186-M198 WeakPolarHBondContact CA-O 3.25Å; Y187-M198 PolarHBondContact N-O 3.36Å; Y187-M198 PolarHBondContact O-N 2.99Å; F189-M198 HydrophobicContact CE1-CE 3.76Å; F189-M198 HydrophobicContact CE1-CG 3.96Å; F189-M198 HydrophobicContact CE1-SD 4Å; F189-M198 HydrophobicContact CZ-CE 3.85Å; M198-F336 HydrophobicContact CE-CD2 4.35Å; M198-F336 HydrophobicContact CE-CE2 3.44Å; M198-F336 VanDerWaalsContact CE-CE2 3.44Å; M198-F336 HydrophobicContact CE-CZ 3.76Å
199V93.9Very high86.7Confident0 Ų052.3 Ų52.30%025%0.248CC..EExtended strand (participates in β ladder)trans-117110179.8-174.10000108.8K36 L37 L38 L39 I184 E186 R197 V201 C214K36-V199 HydrophobicContact CG-CG2 4.05Å; L37-V199 PolarHBondContact O-N 3.41Å; L38-V199 HydrophobicContact CD1-CB 3.84Å; L38-V199 HydrophobicContact CD1-CG1 3.86Å; L39-V199 PolarHBondContact N-O 2.94Å; I184-V199 HydrophobicContact CG2-CG1 3.51Å; E186-V199 HydrophobicContact CG-CG1 4.49Å; E186-V199 HydrophobicContact CG-CG2 4.26Å; R197-V199 HydrophobicContact CG-CG2 4.45Å; V199-V201 HydrophobicContact CG1-CG1 4.25Å; V199-C214 HydrophobicContact CG1-CB 3.94Å
200D93.3Very high86.7Confident5 Ų555.7 Ų55.73%0.02726%0.263CS..EExtended strand (participates in β ladder)trans-83.8140.1167.2-149.5-3.9000109.9K47 S48 I51 I184 I185K47-D200 VanDerWaalsContact CB-OD1 3.3Å; K47-D200 WeakPolarHBondContact CB-OD1 3.32Å; S48-D200 WeakPolarHBondContact CA-OD2 3.34Å; S48-D200 WeakPolarHBondContact CB-OD2 3.34Å; S48-D200 PolarHBondContact OG-OD2 2.99Å; I51-D200 HydrophobicContact CD1-CB 3.28Å; I184-D200 WeakPolarHBondContact CA-O 3.2Å; I185-D200 HydrophobicContact CB-CB 4.21Å; I185-D200 PolarHBondContact N-O 2.98Å; I185-D200 PolarHBondContact O-N 3.3Å
201V92.1Very high87Confident0 Ų050.4 Ų50.40%023%0.234CC..EExtended strand (participates in β ladder)trans-133.5146.6170.9-63.70000109.9L38 L39 L40 K47 I184 V199 G203 W211L38-V201 HydrophobicContact CD1-CG1 4.39Å; L39-V201 WeakPolarHBondContact O-CG2 3.4Å; L40-V201 HydrophobicContact CD2-CG2 3.67Å; K47-V201 WeakPolarHBondContact CE-O 3.45Å; I184-V201 HydrophobicContact CG1-CG1 4.15Å; I184-V201 HydrophobicContact CG2-CG1 4.28Å; V199-V201 HydrophobicContact CG1-CG1 4.25Å; V201-G203 PolarHBondContact O-N 3.21Å; V201-W211 HydrophobicContact CB-CG 4.38Å; V201-W211 HydrophobicContact CG2-CD2 4.01Å; V201-W211 HydrophobicContact CG2-CG 4.06Å; V201-W211 HydrophobicContact CG2-CZ2 4.02Å; V201-W211 VanDerWaalsContact CG2-NE1 3.3Å
202G89.6Confident87.3Confident3 Ų352.5 Ų52.53%0.03125%0.245CC..  trans-54.9126.3175.200000111.8T181 G183 W211T181-G202 WeakPolarHBondContact O-CA 3.44Å; G183-G202 PolarHBondContact O-N 3.09Å; G202-W211 WeakPolarHBondContact O-CZ2 3.32Å; G202-W211 PolarHBondContact O-NE1 3.12Å
203G84.5Confident87.6Confident6 Ų652.6 Ų52.66%0.06225%0.245CC..  trans-80.3-17.4-176.500000115.5G41 G43 V201 R208G41-G203 WeakPolarHBondContact O-CA 3.3Å; G43-G203 PolarHBondContact N-O 3.49Å; V201-G203 PolarHBondContact O-N 3.21Å; G203-R208 PolarHBondContact O-NE 3.46Å
204Q85.1Confident88.1Confident76 Ų7646.3 Ų46.336%0.35521%0.212SC..SBendtrans-69.3151.2-178.1-67.3176.8-1.300111.2S206 E207 R208Q204-S206 PolarHBondContact O-N 3.37Å; Q204-E207 PolarHBondContact O-N 3.11Å; Q204-R208 WeakPolarHBondContact O-CG 3.39Å; Q204-R208 PolarHBondContact O-N 3.32Å
205R86.6Confident88.2Confident84 Ų8445.5 Ų45.532%0.31721%0.206SC..THydrogen-bonded Turntrans-55.6-38.6-176.4-76.7-178.6165.8174.7-4.8113.1E207 R208 E236 E240 E245R205-E207 VanDerWaalsContact C-N 3.29Å; R205-E207 PolarHBondContact O-N 3.35Å; R205-R208 PolarHBondContact O-N 3.23Å; R205-E236 PolarHBondContact N-OE1 2.98Å; R205-E240 IonicContact CZ-OE2 2.91Å; R205-E240 IonicContact NH1-OE2 2.72Å; R205-E240 PolarHBondContact NH1-OE2 2.71Å; R205-E240 IonicContact NH2-OE2 3.77Å; R205-E240 PolarHBondContact NH2-OE2 2.81Å; R205-E245 IonicContact CZ-OE1 3.6Å; R205-E245 IonicContact CZ-OE2 3.74Å; R205-E245 IonicContact NE-OE1 2.88Å; R205-E245 PolarHBondContact NE-OE1 3.28Å; R205-E245 IonicContact NE-OE2 3.82Å; R205-E245 IonicContact NH2-OE1 2.79Å; R205-E245 PolarHBondContact NH2-OE1 2.9Å; R205-E245 IonicContact NH2-OE2 2.79Å; R205-E245 PolarHBondContact NH2-OE2 2.86Å
206S85.4Confident88.1Confident76 Ų7649.8 Ų49.853%0.53123%0.225SC..THydrogen-bonded Turntrans-60.3-34.5177.449.40000113.5Q204Q204-S206 PolarHBondContact O-N 3.37Å
207E88.6Confident87.8Confident24 Ų2456.6 Ų56.611%0.11226%0.262CS..THydrogen-bonded Turntrans-84.8-19.8-175.5-66.5-62.1106.300112.9G183 Q204 R205 R209 K210G183-E207 PolarHBondContact N-OE2 2.86Å; Q204-E207 PolarHBondContact O-N 3.11Å; R205-E207 VanDerWaalsContact C-N 3.29Å; R205-E207 PolarHBondContact O-N 3.35Å; E207-R209 PolarHBondContact O-N 2.92Å; E207-R209 VanDerWaalsContact O-N 3.12Å; E207-K210 WeakPolarHBondContact O-CB 3.42Å; E207-K210 PolarHBondContact O-N 3.2Å; E207-K210 IonicContact OE1-NZ 3.56Å; E207-K210 PolarHBondContact OE1-NZ 3.29Å; E207-K210 IonicContact OE2-NZ 2.67Å; E207-K210 PolarHBondContact OE2-NZ 3Å
208R87.6Confident87.7Confident52 Ų5254.2 Ų54.220%0.19625%0.254CS..G310 helixtrans-62.8-24.7-173.4-55.4-166-168.5151.33.8114.6G203 Q204 R205 K210 W211 E245G203-R208 PolarHBondContact O-NE 3.46Å; Q204-R208 WeakPolarHBondContact O-CG 3.39Å; Q204-R208 PolarHBondContact O-N 3.32Å; R205-R208 PolarHBondContact O-N 3.23Å; R208-K210 PolarHBondContact O-N 3.27Å; R208-W211 HydrophobicContact CB-CD2 4.13Å; R208-W211 HydrophobicContact CB-CG 4.49Å; R208-W211 HydrophobicContact CB-CZ2 4.4Å; R208-W211 HydrophobicContact CG-CD2 4.3Å; R208-W211 HydrophobicContact CG-CH2 4.06Å; R208-W211 HydrophobicContact CG-CZ2 3.67Å; R208-W211 VanDerWaalsContact O-CB 3.31Å; R208-W211 WeakPolarHBondContact O-CB 3.13Å; R208-W211 PolarHBondContact O-N 2.86Å; R208-W211 VanDerWaalsContact O-N 3.12Å; R208-E245 IonicContact CZ-OE1 3.57Å; R208-E245 VanDerWaalsContact CZ-OE1 3.26Å; R208-E245 IonicContact NH1-OE1 3.94Å; R208-E245 PolarHBondContact NH1-OE1 3.01Å; R208-E245 IonicContact NH2-OE1 3.28Å; R208-E245 PolarHBondContact NH2-OE1 2.64Å
209R85.6Confident87.6Confident221 Ų22155.2 Ų55.283%0.83426%0.26SS*.G310 helixtrans-61.3-25.3175.5-65.1-177.1-176.2176.52112.5E207 W211E207-R209 PolarHBondContact O-N 2.92Å; E207-R209 VanDerWaalsContact O-N 3.12Å; R209-W211 VanDerWaalsContact C-N 3.35Å
210K87.5Confident87.5Confident81 Ų8155.2 Ų55.235%0.35226%0.26SS..G310 helixtrans-80.4-16.7180-57.6172.6-172.1165.80112.6E207 R208 I212 H213E207-K210 WeakPolarHBondContact O-CB 3.42Å; E207-K210 PolarHBondContact O-N 3.2Å; E207-K210 IonicContact OE1-NZ 3.56Å; E207-K210 PolarHBondContact OE1-NZ 3.29Å; E207-K210 IonicContact OE2-NZ 2.67Å; E207-K210 PolarHBondContact OE2-NZ 3Å; R208-K210 PolarHBondContact O-N 3.27Å; K210-I212 VanDerWaalsContact C-N 3.28Å; K210-I212 PolarHBondContact O-N 3.44Å; K210-H213 WeakPolarHBondContact O-CB 3.4Å; K210-H213 PolarHBondContact O-CD2 3.42Å; K210-H213 VanDerWaalsContact O-CD2 3.24Å; K210-H213 PolarHBondContact O-N 2.79Å
211W89.2Confident87.5Confident8 Ų855 Ų553%0.0326%0.259CS..G310 helixtrans-61.8-34.7-172.1-67.57.4000113L40 V201 G202 R208 R209 H213 C214 F215 L249 I253L40-W211 HydrophobicContact CD2-CD2 4.04Å; L40-W211 HydrophobicContact CD2-CE3 3.71Å; L40-W211 HydrophobicContact CD2-CH2 4.18Å; L40-W211 HydrophobicContact CD2-CZ2 4.48Å; L40-W211 HydrophobicContact CD2-CZ3 3.78Å; V201-W211 HydrophobicContact CB-CG 4.38Å; V201-W211 HydrophobicContact CG2-CD2 4.01Å; V201-W211 HydrophobicContact CG2-CG 4.06Å; V201-W211 HydrophobicContact CG2-CZ2 4.02Å; V201-W211 VanDerWaalsContact CG2-NE1 3.3Å; G202-W211 WeakPolarHBondContact O-CZ2 3.32Å; G202-W211 PolarHBondContact O-NE1 3.12Å; R208-W211 HydrophobicContact CB-CD2 4.13Å; R208-W211 HydrophobicContact CB-CG 4.49Å; R208-W211 HydrophobicContact CB-CZ2 4.4Å; R208-W211 HydrophobicContact CG-CD2 4.3Å; R208-W211 HydrophobicContact CG-CH2 4.06Å; R208-W211 HydrophobicContact CG-CZ2 3.67Å; R208-W211 VanDerWaalsContact O-CB 3.31Å; R208-W211 WeakPolarHBondContact O-CB 3.13Å; R208-W211 PolarHBondContact O-N 2.86Å; R208-W211 VanDerWaalsContact O-N 3.12Å; R209-W211 VanDerWaalsContact C-N 3.35Å; W211-H213 PolarHBondContact O-N 3.24Å; W211-C214 PolarHBondContact O-N 3.2Å; W211-C214 PolarHBondContact O-SG 2.9Å; W211-F215 HydrophobicContact CB-CE1 3.61Å; W211-F215 HydrophobicContact CB-CZ 3.63Å; W211-F215 HydrophobicContact CE3-CZ 4.32Å; W211-F215 WeakPolarHBondContact O-CD1 3.42Å; W211-F215 WeakPolarHBondContact O-CE1 3.26Å; W211-L249 HydrophobicContact CH2-CD1 4.13Å; W211-L249 HydrophobicContact CH2-CD2 3.9Å; W211-L249 HydrophobicContact CZ3-CD1 3.83Å; W211-L249 HydrophobicContact CZ3-CD2 4.35Å; W211-L249 HydrophobicContact CZ3-CG 4.49Å; W211-I253 HydrophobicContact CE3-CD1 4.37Å; W211-I253 HydrophobicContact CZ3-CD1 4.17Å
212I84.1Confident87.7Confident66 Ų6655 Ų5534%0.33826%0.259SS..G310 helixtrans-54.7-29179.5-167.763.3000112.9K210 C214 F215 W258K210-I212 VanDerWaalsContact C-N 3.28Å; K210-I212 PolarHBondContact O-N 3.44Å; I212-C214 PolarHBondContact O-N 3.47Å; I212-F215 HydrophobicContact CD1-CD2 3.82Å; I212-F215 HydrophobicContact CD1-CE2 4.43Å; I212-F215 PolarHBondContact O-N 2.84Å; I212-W258 HydrophobicContact CD1-CZ2 4.24Å; I212-W258 VanDerWaalsContact CD1-NE1 3.32Å
213H84.3Confident88Confident149 Ų14954.9 Ų54.969%0.6926%0.257SS*.G310 helixtrans-70.5-9.1179.8-59-60.3000114.2I184 K210 W211I184-H213 HydrophobicContact CD1-CB 4.02Å; K210-H213 WeakPolarHBondContact O-CB 3.4Å; K210-H213 PolarHBondContact O-CD2 3.42Å; K210-H213 VanDerWaalsContact O-CD2 3.24Å; K210-H213 PolarHBondContact O-N 2.79Å; W211-H213 PolarHBondContact O-N 3.24Å
214C87.8Confident88.7Confident2 Ų254.7 Ų54.71%0.01426%0.255CS..G310 helixtrans-119.57.7178.266.30000114K36 L38 I184 V199 W211 I212 V218K36-C214 WeakPolarHBondContact CE-O 3.46Å; K36-C214 PolarHBondContact NZ-O 2.86Å; L38-C214 HydrophobicContact CD1-CB 4.5Å; L38-C214 WeakPolarHBondContact CD1-SG 3.39Å; I184-C214 HydrophobicContact CD1-CB 4.21Å; I184-C214 HydrophobicContact CG2-CB 4.39Å; V199-C214 HydrophobicContact CG1-CB 3.94Å; W211-C214 PolarHBondContact O-N 3.2Å; W211-C214 PolarHBondContact O-SG 2.9Å; I212-C214 PolarHBondContact O-N 3.47Å; C214-V218 WeakPolarHBondContact O-CG2 3.47Å
215F87.1Confident89.3Confident9 Ų951 Ų514%0.03924%0.238CC..  trans-81.3-14.9-175.6-72.13.6000114.3L38 W211 I212 W258 F259L38-F215 HydrophobicContact CD2-CD1 3.59Å; L38-F215 HydrophobicContact CD2-CE1 3.64Å; W211-F215 HydrophobicContact CB-CE1 3.61Å; W211-F215 HydrophobicContact CB-CZ 3.63Å; W211-F215 HydrophobicContact CE3-CZ 4.32Å; W211-F215 WeakPolarHBondContact O-CD1 3.42Å; W211-F215 WeakPolarHBondContact O-CE1 3.26Å; I212-F215 HydrophobicContact CD1-CD2 3.82Å; I212-F215 HydrophobicContact CD1-CE2 4.43Å; I212-F215 PolarHBondContact O-N 2.84Å; F215-W258 HydrophobicContact CB-CB 4.2Å; F215-W258 HydrophobicContact CB-CD2 4.49Å; F215-W258 HydrophobicContact CB-CG 4.18Å; F215-W258 HydrophobicContact CD2-CB 4.45Å; F215-W258 AromaticContact CD2-CD1 3.83Å; F215-W258 HydrophobicContact CD2-CG 4.3Å; F215-F259 HydrophobicContact CB-CE1 4.09Å; F215-F259 HydrophobicContact CB-CZ 4.14Å; F215-F259 HydrophobicContact CD1-CE1 4.07Å; F215-F259 HydrophobicContact CD1-CE2 4.42Å; F215-F259 AromaticContact CD1-CZ 3.43Å; F215-F259 HydrophobicContact CD1-CZ 3.43Å; F215-F259 VanDerWaalsContact CD1-CZ 3.43Å; F215-F259 HydrophobicContact CD2-CE1 4.4Å; F215-F259 HydrophobicContact CD2-CE2 4.11Å; F215-F259 AromaticContact CD2-CZ 3.7Å; F215-F259 HydrophobicContact CD2-CZ 3.7Å; F215-F259 HydrophobicContact CE1-CE2 4.23Å; F215-F259 AromaticContact CE1-CZ 3.58Å; F215-F259 HydrophobicContact CE1-CZ 3.58Å; F215-F259 AromaticContact CE2-CE2 3.93Å; F215-F259 HydrophobicContact CE2-CE2 3.93Å; F215-F259 AromaticContact CE2-CZ 3.84Å; F215-F259 HydrophobicContact CE2-CZ 3.84Å; F215-F259 AromaticContact CG-CE1 3.95Å; F215-F259 HydrophobicContact CG-CE1 3.95Å; F215-F259 HydrophobicContact CG-CE2 4.35Å; F215-F259 AromaticContact CG-CZ 3.49Å; F215-F259 HydrophobicContact CG-CZ 3.49Å; F215-F259 VanDerWaalsContact CG-CZ 3.49Å; F215-F259 AromaticContact CZ-CE2 3.98Å; F215-F259 HydrophobicContact CZ-CE2 3.98Å; F215-F259 AromaticContact CZ-CZ 3.77Å; F215-F259 HydrophobicContact CZ-CZ 3.77Å
216E83.8Confident89.8Confident122 Ų12247.1 Ų47.157%0.5722%0.224SC*.THydrogen-bonded Turntrans-68.1136.5176.2-67.1-174.2176.200111.7K36 V218 W258K36-E216 PolarHBondContact NZ-O 3.27Å; E216-V218 PolarHBondContact O-N 2.79Å; E216-W258 HydrophobicContact CG-CZ3 4.15Å
217N83.4Confident90.4Very high145 Ų14543.5 Ų43.578%0.77520%0.198SC*.THydrogen-bonded Turntrans53.834.4174.3-55.9-40.2000114.4T219N217-T219 PolarHBondContact O-N 2.91Å
218V90.8Very high90.7Very high10 Ų1042.4 Ų42.46%0.06119%0.193CC..  trans-73.8116.5174.4174.60000109.9K36 L38 C214 E216 S220 I221 F259 S262K36-V218 HydrophobicContact CD-CG2 4.09Å; K36-V218 HydrophobicContact CG-CG2 4.42Å; L38-V218 HydrophobicContact CB-CG1 3.68Å; L38-V218 HydrophobicContact CB-CG2 4.05Å; L38-V218 HydrophobicContact CD2-CG2 4.05Å; C214-V218 WeakPolarHBondContact O-CG2 3.47Å; E216-V218 PolarHBondContact O-N 2.79Å; V218-S220 WeakPolarHBondContact CG1-O 3.36Å; V218-I221 HydrophobicContact CG1-CG1 4.01Å; V218-F259 HydrophobicContact CB-CE1 4.21Å; V218-F259 HydrophobicContact CG1-CE1 4.42Å; V218-F259 HydrophobicContact CG2-CE1 4.21Å; V218-S262 WeakPolarHBondContact O-CB 3.33Å; V218-S262 PolarHBondContact O-OG 2.86Å
219T90Very high91.1Very high21 Ų2140 Ų4013%0.12918%0.184CC..  trans-69.6-46.1176.6-49.20000110.8L35 K36 N217 S263 I343 N347L35-T219 WeakPolarHBondContact CA-OG1 3.44Å; L35-T219 HydrophobicContact CB-CG2 4.4Å; L35-T219 HydrophobicContact CD2-CG2 3.91Å; K36-T219 PolarHBondContact N-OG1 2.82Å; K36-T219 VanDerWaalsContact N-OG1 3.1Å; K36-T219 WeakPolarHBondContact O-CB 3.38Å; K36-T219 PolarHBondContact O-N 3.11Å; N217-T219 PolarHBondContact O-N 2.91Å; T219-S263 PolarHBondContact O-N 3.42Å; T219-I343 HydrophobicContact CG2-CG2 4.19Å; T219-N347 WeakPolarHBondContact CG2-ND2 3.33Å
220S91.4Very high91.6Very high0 Ų029.5 Ų29.50%015%0.145CC..EExtended strand (participates in β ladder)trans-151147.6-176.6-63.80000111.6K36 L37 L38 V218 S263K36-S220 PolarHBondContact O-N 3.4Å; L37-S220 WeakPolarHBondContact CA-O 3.37Å; L38-S220 PolarHBondContact N-O 3.12Å; V218-S220 WeakPolarHBondContact CG1-O 3.36Å; S220-S263 WeakPolarHBondContact CA-O 3.49Å; S220-S263 VanDerWaalsContact CB-OG 3.32Å; S220-S263 WeakPolarHBondContact CB-OG 3.19Å; S220-S263 PolarHBondContact OG-OG 3.44Å
221I93.5Very high91.9Very high0 Ų026 Ų260%013%0.13CC..EExtended strand (participates in β ladder)trans-106.2129.5177.8-59.7169.5000107.9L38 L40 V218 I253 F259 S263 V264 I265L38-I221 WeakPolarHBondContact O-CA 3.29Å; L40-I221 HydrophobicContact CB-CG2 4.48Å; L40-I221 HydrophobicContact CD1-CG2 3.86Å; L40-I221 HydrophobicContact CG-CG2 4.27Å; V218-I221 HydrophobicContact CG1-CG1 4.01Å; I221-I253 HydrophobicContact CD1-CG2 4.07Å; I221-I253 HydrophobicContact CG2-CG2 4.3Å; I221-F259 HydrophobicContact CD1-CB 3.62Å; I221-F259 HydrophobicContact CD1-CD1 3.52Å; I221-F259 HydrophobicContact CD1-CD2 3.45Å; I221-F259 VanDerWaalsContact CD1-CD2 3.45Å; I221-F259 HydrophobicContact CD1-CE1 3.92Å; I221-F259 HydrophobicContact CD1-CE2 3.87Å; I221-F259 HydrophobicContact CD1-CG 3.25Å; I221-F259 HydrophobicContact CD1-CZ 4.06Å; I221-F259 HydrophobicContact CG1-CD1 4.23Å; I221-F259 HydrophobicContact CG1-CE1 4.38Å; I221-F259 HydrophobicContact CG1-CG 4.41Å; I221-S263 PolarHBondContact N-O 3.14Å; I221-V264 HydrophobicContact CB-CG2 4.36Å; I221-V264 HydrophobicContact CD1-CG2 4.24Å; I221-I265 PolarHBondContact O-N 3.42Å
222I95.6Very high92.1Very high0 Ų025.9 Ų25.90%013%0.13CC..EExtended strand (participates in β ladder)trans-106105.1168.1-54.2179.9000106.4L37 L38 L39 L40 F50 L224 I265 F267L37-I222 HydrophobicContact CD1-CD1 4.33Å; L38-I222 PolarHBondContact O-N 2.92Å; L39-I222 WeakPolarHBondContact CA-O 3.44Å; L40-I222 PolarHBondContact N-O 3.35Å; F50-I222 HydrophobicContact CE1-CD1 3.99Å; F50-I222 HydrophobicContact CZ-CD1 4.39Å; I222-L224 HydrophobicContact CB-CD1 4.45Å; I222-L224 HydrophobicContact CG2-CD1 3.78Å; I222-L224 WeakPolarHBondContact O-CD1 3.29Å; I222-I265 CarbonylContact C-O 3.54Å; I222-I265 WeakPolarHBondContact CA-O 3.31Å; I222-I265 HydrophobicContact CG1-CB 4.44Å; I222-I265 HydrophobicContact CG1-CD1 4.46Å; I222-F267 HydrophobicContact CG2-CD1 4.4Å; I222-F267 HydrophobicContact CG2-CD2 3.41Å; I222-F267 VanDerWaalsContact CG2-CD2 3.41Å; I222-F267 HydrophobicContact CG2-CE1 4.46Å; I222-F267 HydrophobicContact CG2-CE2 3.44Å; I222-F267 VanDerWaalsContact CG2-CE2 3.44Å; I222-F267 HydrophobicContact CG2-CG 3.92Å; I222-F267 HydrophobicContact CG2-CZ 4.02Å
223F97.1Very high92.5Very high0 Ų024.9 Ų24.90%013%0.127CC..EExtended strand (participates in β ladder)trans-94.4120.8176.7-165.8-84.5000109.8L40 V225 L249 F250 I253 I265 L266 F267 Y308L40-F223 HydrophobicContact CB-CD2 3.83Å; L40-F223 HydrophobicContact CB-CE2 4.3Å; L40-F223 CarbonylContact O-C 3.52Å; L40-F223 WeakPolarHBondContact O-CA 3.33Å; F223-V225 HydrophobicContact CD1-CG2 3.87Å; F223-V225 HydrophobicContact CE1-CG2 3.89Å; F223-L249 HydrophobicContact CE2-CD2 4.17Å; F223-L249 HydrophobicContact CE2-CG 4.03Å; F223-L249 HydrophobicContact CZ-CB 4.39Å; F223-L249 HydrophobicContact CZ-CD2 4.09Å; F223-L249 HydrophobicContact CZ-CG 4.11Å; F223-F250 HydrophobicContact CB-CD2 4.03Å; F223-F250 HydrophobicContact CB-CE2 4.14Å; F223-F250 HydrophobicContact CD1-CB 4.28Å; F223-F250 AromaticContact CD1-CD2 3.59Å; F223-F250 HydrophobicContact CD1-CD2 3.59Å; F223-F250 HydrophobicContact CD1-CE2 4.36Å; F223-F250 HydrophobicContact CD1-CG 4.29Å; F223-F250 AromaticContact CD2-CD2 3.83Å; F223-F250 HydrophobicContact CD2-CD2 3.83Å; F223-F250 HydrophobicContact CE1-CB 3.74Å; F223-F250 AromaticContact CE1-CD2 3.95Å; F223-F250 HydrophobicContact CE1-CD2 3.95Å; F223-F250 HydrophobicContact CE1-CG 4.24Å; F223-F250 HydrophobicContact CE2-CB 4.1Å; F223-F250 HydrophobicContact CE2-CD2 4.16Å; F223-F250 AromaticContact CG-CD2 3.53Å; F223-F250 HydrophobicContact CG-CD2 3.53Å; F223-F250 HydrophobicContact CG-CE2 4.14Å; F223-F250 HydrophobicContact CZ-CB 3.63Å; F223-F250 HydrophobicContact CZ-CD2 4.22Å; F223-F250 HydrophobicContact CZ-CG 4.43Å; F223-I253 HydrophobicContact CE2-CG1 4.22Å; F223-I265 PolarHBondContact N-O 2.84Å; F223-L266 HydrophobicContact CB-CD1 4.26Å; F223-L266 HydrophobicContact CD1-CD1 3.87Å; F223-L266 HydrophobicContact CG-CD1 4.49Å; F223-F267 PolarHBondContact O-N 3.05Å; F223-Y308 HydrophobicContact CE1-CE1 4.16Å
224L97.5Very high92.6Very high2 Ų218.3 Ų18.31%0.0110%0.096CC..EExtended strand (participates in β ladder)trans-100.3127.3-178.7-70.779.8000110.7L40 S45 G46 K47 F50 I222 F267L40-L224 PolarHBondContact O-N 3.25Å; S45-L224 WeakPolarHBondContact CB-O 3.4Å; G46-L224 VanDerWaalsContact C-CD2 3.44Å; K47-L224 HydrophobicContact CG-CD1 4.08Å; K47-L224 HydrophobicContact CG-CD2 4.28Å; F50-L224 HydrophobicContact CB-CD2 4.38Å; I222-L224 HydrophobicContact CB-CD1 4.45Å; I222-L224 HydrophobicContact CG2-CD1 3.78Å; I222-L224 WeakPolarHBondContact O-CD1 3.29Å; L224-F267 WeakPolarHBondContact CA-O 3.41Å; L224-F267 HydrophobicContact CG-CB 4.12Å; L224-F267 HydrophobicContact CG-CD2 4.32Å
225V98Very high92.2Very high0 Ų020.9 Ų20.90%012%0.118CC..EExtended strand (participates in β ladder)trans-112.2125.6174.7177.60000108F223 L227 L266 F267 N269 Y308F223-V225 HydrophobicContact CD1-CG2 3.87Å; F223-V225 HydrophobicContact CE1-CG2 3.89Å; V225-L227 PolarHBondContact O-N 3.13Å; V225-L266 HydrophobicContact CG2-CD1 3.65Å; V225-F267 PolarHBondContact N-O 3.11Å; V225-N269 PolarHBondContact O-N 3.38Å; V225-Y308 HydrophobicContact CB-CE1 4.45Å; V225-Y308 HydrophobicContact CG1-CE1 4.29Å; V225-Y308 HydrophobicContact CG1-CE2 3.66Å; V225-Y308 WeakPolarHBondContact CG1-OH 3.39Å; V225-Y308 HydrophobicContact CG2-CD1 3.79Å; V225-Y308 HydrophobicContact CG2-CD2 4.43Å; V225-Y308 HydrophobicContact CG2-CE1 3.33Å; V225-Y308 HydrophobicContact CG2-CE2 4.06Å; V225-Y308 HydrophobicContact CG2-CG 4.33Å; V225-Y308 VanDerWaalsContact CG2-CZ 3.49Å
226A97.3Very high91.9Very high2 Ų225 Ų252%0.01714%0.137CC..EExtended strand (participates in β ladder)trans-82.2112168.100000109.6S228 E229 K270A226-S228 PolarHBondContact O-N 3.04Å; A226-E229 HydrophobicContact CB-CB 4.22Å; A226-E229 HydrophobicContact CB-CG 3.65Å; A226-E229 WeakPolarHBondContact CB-OE1 3.42Å; A226-E229 PolarHBondContact O-N 2.95Å; A226-K270 HydrophobicContact CB-CD 3.76Å; A226-K270 HydrophobicContact CB-CG 4.46Å
227L97.9Very high91.9Very high0 Ų021.1 Ų21.10%012%0.123CC..G310 helixtrans-65-27.5178.2-73.3172.7000112.8V225 E229 Y230 L268 N269 T271 L274 Q301 I304 F323V225-L227 PolarHBondContact O-N 3.13Å; L227-E229 VanDerWaalsContact C-N 3.27Å; L227-E229 PolarHBondContact O-N 2.9Å; L227-Y230 WeakPolarHBondContact O-CD1 3.37Å; L227-L268 HydrophobicContact CD1-CB 3.97Å; L227-L268 HydrophobicContact CD2-CB 3.97Å; L227-L268 HydrophobicContact CD2-CD2 3.8Å; L227-L268 HydrophobicContact CD2-CG 4.48Å; L227-L268 HydrophobicContact CG-CB 3.96Å; L227-N269 VanDerWaalsContact CB-O 3.29Å; L227-N269 WeakPolarHBondContact CB-O 3.44Å; L227-N269 WeakPolarHBondContact CG-O 3.32Å; L227-N269 PolarHBondContact N-O 3.02Å; L227-T271 HydrophobicContact CD1-CG2 3.58Å; L227-L274 HydrophobicContact CB-CB 3.99Å; L227-L274 HydrophobicContact CB-CD2 4Å; L227-L274 HydrophobicContact CB-CG 4.44Å; L227-L274 HydrophobicContact CD1-CD2 3.93Å; L227-L274 HydrophobicContact CD2-CD2 4.42Å; L227-L274 HydrophobicContact CG-CD2 4.36Å; L227-Q301 HydrophobicContact CD1-CG 4.07Å; L227-I304 HydrophobicContact CD2-CB 4.02Å; L227-I304 HydrophobicContact CD2-CD1 3.77Å; L227-I304 HydrophobicContact CD2-CG2 3.74Å; L227-F323 HydrophobicContact CD1-CD1 4.26Å
228S95.8Very high91.7Very high0 Ų019.8 Ų19.80%012%0.116CC..G310 helixtrans-77.8-5.4-177.659.50000115A226 Y230 K270 I273 K277A226-S228 PolarHBondContact O-N 3.04Å; S228-Y230 VanDerWaalsContact C-N 3.35Å; S228-K270 WeakPolarHBondContact OG-CD 3.43Å; S228-I273 VanDerWaalsContact CB-CG2 3.43Å; S228-K277 PolarHBondContact O-NZ 3.35Å; S228-K277 VanDerWaalsContact O-NZ 3.14Å
229E95.3Very high91.4Very high2 Ų226.9 Ų26.91%0.00915%0.153CC..G310 helixtrans-89.24.8-174.9-76.1177.9-168.700113.6A226 L227 D231 Q232 R242 K270A226-E229 HydrophobicContact CB-CB 4.22Å; A226-E229 HydrophobicContact CB-CG 3.65Å; A226-E229 WeakPolarHBondContact CB-OE1 3.42Å; A226-E229 PolarHBondContact O-N 2.95Å; L227-E229 VanDerWaalsContact C-N 3.27Å; L227-E229 PolarHBondContact O-N 2.9Å; E229-D231 PolarHBondContact O-N 3.22Å; E229-Q232 PolarHBondContact O-N 2.99Å; E229-R242 HydrophobicContact CB-CB 3.85Å; E229-R242 HydrophobicContact CG-CB 4.29Å; E229-R242 IonicContact OE1-NH1 2.87Å; E229-K270 IonicContact OE1-NZ 3.57Å
230Y96.1Very high91.3Very high0 Ų029.6 Ų29.60%016%0.164CC..THydrogen-bonded Turntrans-62.5-26.5-175.469.5-89.8000113.9L227 S228 N241 L274 K277 S281 L283 Y286 F287L227-Y230 WeakPolarHBondContact O-CD1 3.37Å; S228-Y230 VanDerWaalsContact C-N 3.35Å; Y230-N241 PolarHBondContact O-ND2 3.29Å; Y230-L274 HydrophobicContact CD1-CD1 4.08Å; Y230-L274 HydrophobicContact CE1-CD1 3.74Å; Y230-K277 HydrophobicContact CE1-CB 4.46Å; Y230-K277 HydrophobicContact CE1-CD 3.86Å; Y230-K277 HydrophobicContact CE1-CG 4.36Å; Y230-S281 VanDerWaalsContact OH-CB 3.32Å; Y230-S281 WeakPolarHBondContact OH-CB 3.39Å; Y230-S281 PolarHBondContact OH-O 2.97Å; Y230-L283 HydrophobicContact CD2-CD1 3.58Å; Y230-L283 HydrophobicContact CE2-CD1 4.31Å; Y230-L283 HydrophobicContact CG-CD1 3.69Å; Y230-Y286 HydrophobicContact CD2-CD2 4.03Å; Y230-Y286 HydrophobicContact CE2-CD2 4.23Å; Y230-Y286 HydrophobicContact CE2-CE2 4.48Å; Y230-Y286 WeakPolarHBondContact O-CB 3.45Å; Y230-F287 WeakPolarHBondContact O-CE2 3.27Å
231D94.8Very high91.5Very high7 Ų731 Ų314%0.03717%0.172CC..THydrogen-bonded Turntrans-11620.4-17763.9-18.7000112.9E229 K277 S281 Y286E229-D231 PolarHBondContact O-N 3.22Å; D231-K277 VanDerWaalsContact CG-CE 3.43Å; D231-K277 VanDerWaalsContact CG-NZ 3.31Å; D231-K277 WeakPolarHBondContact OD1-CE 3.46Å; D231-K277 IonicContact OD1-NZ 2.75Å; D231-K277 PolarHBondContact OD1-NZ 3.28Å; D231-K277 WeakPolarHBondContact OD2-CD 3.46Å; D231-K277 WeakPolarHBondContact OD2-CE 3.42Å; D231-K277 IonicContact OD2-NZ 3.55Å; D231-K277 PolarHBondContact OD2-NZ 2.85Å; D231-S281 WeakPolarHBondContact OD2-CB 3.42Å; D231-S281 PolarHBondContact OD2-OG 2.81Å; D231-Y286 HydrophobicContact CB-CD1 4.09Å; D231-Y286 HydrophobicContact CB-CD2 3.7Å; D231-Y286 HydrophobicContact CB-CE1 3.68Å; D231-Y286 HydrophobicContact CB-CE2 3.27Å; D231-Y286 HydrophobicContact CB-CG 4.1Å
232Q93.6Very high91.5Very high7 Ų731.7 Ų31.73%0.03318%0.175CC..  trans-115.4154.2-180-69.7-179.7-20.800111.8E229 N241 R242E229-Q232 PolarHBondContact O-N 2.99Å; Q232-N241 WeakPolarHBondContact O-CA 3.49Å; Q232-N241 PolarHBondContact O-ND2 3.11Å; Q232-R242 HydrophobicContact CB-CB 4.49Å; Q232-R242 HydrophobicContact CB-CG 4.05Å; Q232-R242 PolarHBondContact O-N 3.11Å
233V91.3Very high91.6Very high45 Ų4531.7 Ų31.727%0.27318%0.175SC..EExtended strand (participates in β ladder)trans-104155173.7-60.40000111.6Q147 D238 E240 R242Q147-V233 PolarHBondContact NE2-O 3.34Å; V233-D238 WeakPolarHBondContact CG1-O 3.49Å; V233-E240 CarbonylContact C-O 3.54Å; V233-E240 VanDerWaalsContact CA-O 3.29Å; V233-E240 WeakPolarHBondContact CA-O 3.49Å; V233-R242 VanDerWaalsContact C-CG 3.45Å; V233-R242 VanDerWaalsContact O-CG 3.31Å; V233-R242 WeakPolarHBondContact O-CG 3.45Å; V233-R242 PolarHBondContact O-NE 3.28Å; V233-R242 VanDerWaalsContact O-NE 3.15Å
234L86.4Confident91.5Very high10 Ų1035.1 Ų35.15%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-64.1143178.6-71.4174.2000111.2E236 C237 E240 R242 E245L234-E236 PolarHBondContact O-N 3.46Å; L234-C237 HydrophobicContact CB-CB 4.46Å; L234-C237 CarbonylContact O-C 3.55Å; L234-C237 VanDerWaalsContact O-C 3.31Å; L234-C237 PolarHBondContact O-N 2.74Å; L234-E240 HydrophobicContact CD1-CB 3.83Å; L234-E240 WeakPolarHBondContact CD1-OE2 3.22Å; L234-E240 HydrophobicContact CG-CB 4.35Å; L234-E240 PolarHBondContact N-O 3.09Å; L234-R242 HydrophobicContact CD2-CB 4.48Å; L234-R242 HydrophobicContact CD2-CG 4.04Å; L234-R242 HydrophobicContact CG-CG 4.44Å; L234-E245 HydrophobicContact CD1-CB 3.88Å; L234-E245 HydrophobicContact CD1-CG 3.87Å; L234-E245 HydrophobicContact CD2-CB 4.09Å; L234-E245 HydrophobicContact CD2-CG 3.94Å; L234-E245 HydrophobicContact CG-CB 4.29Å; L234-E245 HydrophobicContact CG-CG 4.45Å
235A80.7Confident91.4Very high56 Ų5636.1 Ų36.146%0.46320%0.195SC..THydrogen-bonded Turntrans-65.7-29.2173.200000111.9Q147Q147-A235 HydrophobicContact CG-CB 3.79Å
236E80Confident91.3Very high97 Ų9736.2 Ų36.245%0.45320%0.196SC..THydrogen-bonded Turntrans-84.8-14.5178.1-5399.1137.700113.4R205 L234R205-E236 PolarHBondContact N-OE1 2.98Å; L234-E236 PolarHBondContact O-N 3.46Å
237C82.6Confident91.3Very high39 Ų3938 Ų3826%0.26420%0.203SC..EExtended strand (participates in β ladder)trans-158.5105-177.8-168.80000112.1L234 N239 E240L234-C237 HydrophobicContact CB-CB 4.46Å; L234-C237 CarbonylContact O-C 3.55Å; L234-C237 VanDerWaalsContact O-C 3.31Å; L234-C237 PolarHBondContact O-N 2.74Å; C237-N239 PolarHBondContact O-N 3.4Å; C237-E240 HydrophobicContact CB-CB 4.34Å; C237-E240 HydrophobicContact CB-CG 4.42Å; C237-E240 PolarHBondContact O-N 3.02Å; C237-E240 VanDerWaalsContact O-N 3.15Å
238D80.4Confident91.2Very high118 Ų11840.2 Ų40.263%0.63122%0.222SC*.EExtended strand (participates in β ladder)trans-67.6-7.4-174.5-58.8-25000114.7V233V233-D238 WeakPolarHBondContact CG1-O 3.49Å
239N83.3Confident91.1Very high158 Ų15840.9 Ų40.985%0.84523%0.225SC*.EExtended strand (participates in β ladder)trans-101-3.7179-69.1-21000113.5C237C237-N239 PolarHBondContact O-N 3.4Å
240E89Confident91.2Very high78 Ų7840.8 Ų40.836%0.36423%0.225SC..EExtended strand (participates in β ladder)trans-111.7124-176.9-73.5-178.7169.900110.5R205 V233 L234 C237R205-E240 IonicContact CZ-OE2 2.91Å; R205-E240 IonicContact NH1-OE2 2.72Å; R205-E240 PolarHBondContact NH1-OE2 2.71Å; R205-E240 IonicContact NH2-OE2 3.77Å; R205-E240 PolarHBondContact NH2-OE2 2.81Å; V233-E240 CarbonylContact C-O 3.54Å; V233-E240 VanDerWaalsContact CA-O 3.29Å; V233-E240 WeakPolarHBondContact CA-O 3.49Å; L234-E240 HydrophobicContact CD1-CB 3.83Å; L234-E240 WeakPolarHBondContact CD1-OE2 3.22Å; L234-E240 HydrophobicContact CG-CB 4.35Å; L234-E240 PolarHBondContact N-O 3.09Å; C237-E240 HydrophobicContact CB-CB 4.34Å; C237-E240 HydrophobicContact CB-CG 4.42Å; C237-E240 PolarHBondContact O-N 3.02Å; C237-E240 VanDerWaalsContact O-N 3.15Å
241N94.6Very high91.2Very high31 Ų3146.1 Ų46.117%0.16625%0.248CC..EExtended strand (participates in β ladder)trans-66.9133.7175.6179.3-82.9000110.8Y230 Q232 M243 E244 E245Y230-N241 PolarHBondContact O-ND2 3.29Å; Q232-N241 WeakPolarHBondContact O-CA 3.49Å; Q232-N241 PolarHBondContact O-ND2 3.11Å; N241-M243 VanDerWaalsContact C-N 3.33Å; N241-M243 PolarHBondContact O-N 3.28Å; N241-M243 WeakPolarHBondContact OD1-CA 3.24Å; N241-M243 WeakPolarHBondContact OD1-CB 3Å; N241-M243 PolarHBondContact OD1-N 2.87Å; N241-E244 HydrophobicContact CB-CB 4.12Å; N241-E244 HydrophobicContact CB-CG 4.18Å; N241-E244 PolarHBondContact O-N 3.46Å; N241-E244 PolarHBondContact OD1-N 3.09Å; N241-E244 VanDerWaalsContact OD1-N 3.11Å; N241-E245 PolarHBondContact O-N 3.48Å; N241-E245 VanDerWaalsContact O-N 3.1Å
242R94.8Very high91.1Very high13 Ų1349.2 Ų49.25%0.04927%0.267CS..Hα-helixtrans-60.2-40.6-177.7-72.1-167.6165.7-156.7-13.4112.7E44 Q147 E229 Q232 V233 L234 E245 S246E44-R242 IonicContact OE1-NH1 2.8Å; E44-R242 IonicContact OE1-NH2 3.46Å; E44-R242 PolarHBondContact OE1-NH2 3.32Å; E44-R242 IonicContact OE2-CZ 3.81Å; E44-R242 IonicContact OE2-NH1 2.84Å; E44-R242 PolarHBondContact OE2-NH1 3.25Å; E44-R242 IonicContact OE2-NH2 2.74Å; E44-R242 PolarHBondContact OE2-NH2 3.49Å; Q147-R242 VanDerWaalsContact OE1-CZ 3.29Å; E229-R242 HydrophobicContact CB-CB 3.85Å; E229-R242 HydrophobicContact CG-CB 4.29Å; E229-R242 IonicContact OE1-NH1 2.87Å; Q232-R242 HydrophobicContact CB-CB 4.49Å; Q232-R242 HydrophobicContact CB-CG 4.05Å; Q232-R242 PolarHBondContact O-N 3.11Å; V233-R242 VanDerWaalsContact C-CG 3.45Å; V233-R242 VanDerWaalsContact O-CG 3.31Å; V233-R242 WeakPolarHBondContact O-CG 3.45Å; V233-R242 PolarHBondContact O-NE 3.28Å; V233-R242 VanDerWaalsContact O-NE 3.15Å; L234-R242 HydrophobicContact CD2-CB 4.48Å; L234-R242 HydrophobicContact CD2-CG 4.04Å; L234-R242 HydrophobicContact CG-CG 4.44Å; R242-E245 PolarHBondContact O-N 2.96Å; R242-S246 PolarHBondContact O-N 2.91Å
243M96.3Very high91.1Very high1 Ų149.1 Ų49.11%0.00527%0.267CS..Hα-helixtrans-71.4-35.7-179.8-178172.3-70.400112.2N241 S246 K247 F287 I304 Y308N241-M243 VanDerWaalsContact C-N 3.33Å; N241-M243 PolarHBondContact O-N 3.28Å; N241-M243 WeakPolarHBondContact OD1-CA 3.24Å; N241-M243 WeakPolarHBondContact OD1-CB 3Å; N241-M243 PolarHBondContact OD1-N 2.87Å; M243-S246 PolarHBondContact O-N 3.24Å; M243-K247 WeakPolarHBondContact O-CB 3.06Å; M243-K247 PolarHBondContact O-N 3.05Å; M243-F287 HydrophobicContact CB-CZ 4.06Å; M243-F287 HydrophobicContact CG-CZ 4.07Å; M243-F287 HydrophobicContact SD-CE2 4.03Å; M243-F287 HydrophobicContact SD-CZ 3.94Å; M243-I304 HydrophobicContact CE-CD1 3.86Å; M243-I304 HydrophobicContact CE-CG1 4.3Å; M243-I304 HydrophobicContact CE-CG2 4.11Å; M243-I304 HydrophobicContact SD-CD1 4.21Å; M243-I304 HydrophobicContact SD-CG1 4.03Å; M243-I304 HydrophobicContact SD-CG2 4Å; M243-Y308 PolarHBondContact O-OH 2.85Å
244E95.8Very high91.1Very high71 Ų7147.6 Ų47.633%0.33226%0.257SS..Hα-helixtrans-63.5-42.8172.4-79.3-65161.200112.2N241 S246 K247 A248 F287N241-E244 HydrophobicContact CB-CB 4.12Å; N241-E244 HydrophobicContact CB-CG 4.18Å; N241-E244 PolarHBondContact O-N 3.46Å; N241-E244 PolarHBondContact OD1-N 3.09Å; N241-E244 VanDerWaalsContact OD1-N 3.11Å; E244-S246 VanDerWaalsContact C-N 3.34Å; E244-S246 PolarHBondContact O-N 2.88Å; E244-K247 WeakPolarHBondContact O-CB 3.3Å; E244-K247 PolarHBondContact O-N 2.92Å; E244-K247 IonicContact OE1-NZ 3Å; E244-K247 PolarHBondContact OE1-NZ 2.83Å; E244-K247 WeakPolarHBondContact OE2-CE 3.5Å; E244-K247 IonicContact OE2-NZ 3.55Å; E244-K247 PolarHBondContact OE2-NZ 3Å; E244-A248 WeakPolarHBondContact O-CB 3.45Å; E244-A248 PolarHBondContact O-N 2.98Å; E244-F287 HydrophobicContact CG-CE1 4.1Å; E244-F287 HydrophobicContact CG-CZ 4.43Å; E244-F287 VanDerWaalsContact OE1-CE1 3.31Å; E244-F287 WeakPolarHBondContact OE1-CE1 3.29Å
245E94.9Very high91.4Very high24 Ų2450.9 Ų50.911%0.11228%0.278CS..Hα-helixtrans-60.1-43.6172.4169.267.3173.900111.8T42 R205 R208 L234 N241 R242 K247 A248 L249T42-E245 HydrophobicContact CG2-CG 4.15Å; R205-E245 IonicContact CZ-OE1 3.6Å; R205-E245 IonicContact CZ-OE2 3.74Å; R205-E245 IonicContact NE-OE1 2.88Å; R205-E245 PolarHBondContact NE-OE1 3.28Å; R205-E245 IonicContact NE-OE2 3.82Å; R205-E245 IonicContact NH2-OE1 2.79Å; R205-E245 PolarHBondContact NH2-OE1 2.9Å; R205-E245 IonicContact NH2-OE2 2.79Å; R205-E245 PolarHBondContact NH2-OE2 2.86Å; R208-E245 IonicContact CZ-OE1 3.57Å; R208-E245 VanDerWaalsContact CZ-OE1 3.26Å; R208-E245 IonicContact NH1-OE1 3.94Å; R208-E245 PolarHBondContact NH1-OE1 3.01Å; R208-E245 IonicContact NH2-OE1 3.28Å; R208-E245 PolarHBondContact NH2-OE1 2.64Å; L234-E245 HydrophobicContact CD1-CB 3.88Å; L234-E245 HydrophobicContact CD1-CG 3.87Å; L234-E245 HydrophobicContact CD2-CB 4.09Å; L234-E245 HydrophobicContact CD2-CG 3.94Å; L234-E245 HydrophobicContact CG-CB 4.29Å; L234-E245 HydrophobicContact CG-CG 4.45Å; N241-E245 PolarHBondContact O-N 3.48Å; N241-E245 VanDerWaalsContact O-N 3.1Å; R242-E245 PolarHBondContact O-N 2.96Å; E245-K247 VanDerWaalsContact C-N 3.33Å; E245-K247 PolarHBondContact O-N 2.63Å; E245-A248 PolarHBondContact O-N 3.04Å; E245-L249 VanDerWaalsContact O-CB 3.3Å; E245-L249 WeakPolarHBondContact O-CB 3.41Å; E245-L249 PolarHBondContact O-N 3.15Å
246S97Very high91.8Very high1 Ų152.2 Ų52.21%0.00727%0.271CS..Hα-helixtrans-62.8-39.7176.5-174.90000112.1R242 M243 E244 L249 F250 Y308R242-S246 PolarHBondContact O-N 2.91Å; M243-S246 PolarHBondContact O-N 3.24Å; E244-S246 VanDerWaalsContact C-N 3.34Å; E244-S246 PolarHBondContact O-N 2.88Å; S246-L249 PolarHBondContact O-N 2.89Å; S246-F250 WeakPolarHBondContact O-CB 3.35Å; S246-F250 PolarHBondContact O-N 2.8Å; S246-Y308 WeakPolarHBondContact CB-OH 3.4Å; S246-Y308 PolarHBondContact OG-OH 2.87Å
247K96.8Very high92.3Very high39 Ų3952.4 Ų52.417%0.1728%0.281CS..Hα-helixtrans-63.8-45.3174.9-168.8-179.977.8-167.40111.7M243 E244 E245 F250 K251 M307 Y308 Q311M243-K247 WeakPolarHBondContact O-CB 3.06Å; M243-K247 PolarHBondContact O-N 3.05Å; E244-K247 WeakPolarHBondContact O-CB 3.3Å; E244-K247 PolarHBondContact O-N 2.92Å; E244-K247 IonicContact OE1-NZ 3Å; E244-K247 PolarHBondContact OE1-NZ 2.83Å; E244-K247 WeakPolarHBondContact OE2-CE 3.5Å; E244-K247 IonicContact OE2-NZ 3.55Å; E244-K247 PolarHBondContact OE2-NZ 3Å; E245-K247 VanDerWaalsContact C-N 3.33Å; E245-K247 PolarHBondContact O-N 2.63Å; K247-F250 PolarHBondContact O-N 3.14Å; K247-K251 PolarHBondContact O-N 3.25Å; K247-M307 HydrophobicContact CD-CB 4.46Å; K247-M307 HydrophobicContact CD-CE 4.08Å; K247-Y308 HydrophobicContact CB-CE1 4.46Å; K247-Y308 PolarHBondContact N-OH 2.79Å; K247-Q311 HydrophobicContact CG-CG 3.8Å
248A95.2Very high92.6Very high47 Ų4756.7 Ų56.739%0.38829%0.292SS..Hα-helixtrans-63.7-41.1176.800000112.2E244 E245 K251 T252E244-A248 WeakPolarHBondContact O-CB 3.45Å; E244-A248 PolarHBondContact O-N 2.98Å; E245-A248 PolarHBondContact O-N 3.04Å; A248-K251 PolarHBondContact O-N 3.18Å; A248-T252 PolarHBondContact O-N 3.07Å; A248-T252 VanDerWaalsContact O-N 3.09Å; A248-T252 PolarHBondContact O-OG1 3.23Å
249L95.3Very high93Very high14 Ų1451.1 Ų51.17%0.07326%0.262CS..Hα-helixtrans-61.5-48.3173.3178.964000111.2T42 W211 F223 E245 S246 K251 T252 I253T42-L249 HydrophobicContact CG2-CD2 4.2Å; W211-L249 HydrophobicContact CH2-CD1 4.13Å; W211-L249 HydrophobicContact CH2-CD2 3.9Å; W211-L249 HydrophobicContact CZ3-CD1 3.83Å; W211-L249 HydrophobicContact CZ3-CD2 4.35Å; W211-L249 HydrophobicContact CZ3-CG 4.49Å; F223-L249 HydrophobicContact CE2-CD2 4.17Å; F223-L249 HydrophobicContact CE2-CG 4.03Å; F223-L249 HydrophobicContact CZ-CB 4.39Å; F223-L249 HydrophobicContact CZ-CD2 4.09Å; F223-L249 HydrophobicContact CZ-CG 4.11Å; E245-L249 VanDerWaalsContact O-CB 3.3Å; E245-L249 WeakPolarHBondContact O-CB 3.41Å; E245-L249 PolarHBondContact O-N 3.15Å; S246-L249 PolarHBondContact O-N 2.89Å; L249-K251 VanDerWaalsContact C-N 3.34Å; L249-K251 PolarHBondContact O-N 3.02Å; L249-T252 WeakPolarHBondContact O-CB 3.4Å; L249-T252 PolarHBondContact O-N 3.21Å; L249-T252 VanDerWaalsContact O-N 3.09Å; L249-I253 HydrophobicContact CD1-CG1 4.44Å; L249-I253 WeakPolarHBondContact O-CG1 3.41Å; L249-I253 PolarHBondContact O-N 3.41Å
250F96.7Very high93.1Very high0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-58-46.2177.9-179.7-109.8000112F223 S246 K247 T252 I253 I254 V264 L266 Y308 Q311 L319F223-F250 HydrophobicContact CB-CD2 4.03Å; F223-F250 HydrophobicContact CB-CE2 4.14Å; F223-F250 HydrophobicContact CD1-CB 4.28Å; F223-F250 AromaticContact CD1-CD2 3.59Å; F223-F250 HydrophobicContact CD1-CD2 3.59Å; F223-F250 HydrophobicContact CD1-CE2 4.36Å; F223-F250 HydrophobicContact CD1-CG 4.29Å; F223-F250 AromaticContact CD2-CD2 3.83Å; F223-F250 HydrophobicContact CD2-CD2 3.83Å; F223-F250 HydrophobicContact CE1-CB 3.74Å; F223-F250 AromaticContact CE1-CD2 3.95Å; F223-F250 HydrophobicContact CE1-CD2 3.95Å; F223-F250 HydrophobicContact CE1-CG 4.24Å; F223-F250 HydrophobicContact CE2-CB 4.1Å; F223-F250 HydrophobicContact CE2-CD2 4.16Å; F223-F250 AromaticContact CG-CD2 3.53Å; F223-F250 HydrophobicContact CG-CD2 3.53Å; F223-F250 HydrophobicContact CG-CE2 4.14Å; F223-F250 HydrophobicContact CZ-CB 3.63Å; F223-F250 HydrophobicContact CZ-CD2 4.22Å; F223-F250 HydrophobicContact CZ-CG 4.43Å; S246-F250 WeakPolarHBondContact O-CB 3.35Å; S246-F250 PolarHBondContact O-N 2.8Å; K247-F250 PolarHBondContact O-N 3.14Å; F250-T252 PolarHBondContact O-N 3.31Å; F250-I253 PolarHBondContact O-N 2.87Å; F250-I253 VanDerWaalsContact O-N 3.16Å; F250-I254 HydrophobicContact CE1-CD1 4.1Å; F250-I254 HydrophobicContact CZ-CD1 3.85Å; F250-I254 WeakPolarHBondContact O-CG2 3.41Å; F250-I254 PolarHBondContact O-N 3.2Å; F250-V264 HydrophobicContact CE2-CG1 4Å; F250-V264 HydrophobicContact CZ-CG1 4.4Å; F250-L266 HydrophobicContact CD2-CD1 4.32Å; F250-L266 HydrophobicContact CE2-CD1 4.03Å; F250-L266 HydrophobicContact CZ-CD1 4.44Å; F250-Y308 HydrophobicContact CB-CD1 3.85Å; F250-Y308 HydrophobicContact CB-CE1 3.93Å; F250-Y308 AromaticContact CD1-CD1 3.73Å; F250-Y308 HydrophobicContact CD1-CD1 3.73Å; F250-Y308 HydrophobicContact CD2-CD1 4.47Å; F250-Y308 HydrophobicContact CE1-CD1 4.42Å; F250-Y308 VanDerWaalsContact CE1-O 3.28Å; F250-Y308 WeakPolarHBondContact CE1-O 3.2Å; F250-Y308 AromaticContact CG-CD1 3.75Å; F250-Y308 HydrophobicContact CG-CD1 3.75Å; F250-Y308 HydrophobicContact CG-CE1 4.31Å; F250-Q311 HydrophobicContact CD1-CB 3.9Å; F250-Q311 HydrophobicContact CD1-CG 4.28Å; F250-Q311 HydrophobicContact CE1-CB 4.2Å; F250-L319 HydrophobicContact CE1-CD1 4.39Å; F250-L319 HydrophobicContact CZ-CD1 4.07Å; F250-L319 HydrophobicContact CZ-CD2 4.07Å
251K95.5Very high92.9Very high112 Ų11256.8 Ų56.849%0.48728%0.28SS..Hα-helixtrans-54.8-42.2175-175.1-179.2-176.2173.60111.6K247 A248 L249 I254 T255 Q311K247-K251 PolarHBondContact O-N 3.25Å; A248-K251 PolarHBondContact O-N 3.18Å; L249-K251 VanDerWaalsContact C-N 3.34Å; L249-K251 PolarHBondContact O-N 3.02Å; K251-I254 WeakPolarHBondContact O-CG2 3.39Å; K251-T255 VanDerWaalsContact O-CG2 3.25Å; K251-T255 WeakPolarHBondContact O-CG2 3.47Å; K251-T255 PolarHBondContact O-N 2.68Å; K251-T255 PolarHBondContact O-OG1 2.87Å; K251-Q311 HydrophobicContact CB-CB 4.17Å; K251-Q311 HydrophobicContact CB-CG 4.42Å; K251-Q311 HydrophobicContact CG-CB 4.49Å
252T93.8Very high92.6Very high73 Ų7355.7 Ų55.745%0.44828%0.275SS..Hα-helixtrans-65.2-47.2178-56.70000111.2A248 L249 F250 T255 Y256A248-T252 PolarHBondContact O-N 3.07Å; A248-T252 VanDerWaalsContact O-N 3.09Å; A248-T252 PolarHBondContact O-OG1 3.23Å; L249-T252 WeakPolarHBondContact O-CB 3.4Å; L249-T252 PolarHBondContact O-N 3.21Å; L249-T252 VanDerWaalsContact O-N 3.09Å; F250-T252 PolarHBondContact O-N 3.31Å; T252-T255 PolarHBondContact O-N 2.91Å; T252-T255 PolarHBondContact O-OG1 3.04Å; T252-Y256 HydrophobicContact CG2-CD2 4.39Å; T252-Y256 PolarHBondContact O-N 3.4Å
253I92.8Very high92.3Very high5 Ų555.9 Ų55.93%0.02628%0.278CS..Hα-helixtrans-62.2-45.7-179.9-65.6-53.2000111.9L40 W211 I221 F223 L249 F250 T255 Y256 F259L40-I253 HydrophobicContact CD1-CD1 3.75Å; L40-I253 HydrophobicContact CD1-CG1 3.95Å; L40-I253 HydrophobicContact CD1-CG2 3.71Å; W211-I253 HydrophobicContact CE3-CD1 4.37Å; W211-I253 HydrophobicContact CZ3-CD1 4.17Å; I221-I253 HydrophobicContact CD1-CG2 4.07Å; I221-I253 HydrophobicContact CG2-CG2 4.3Å; F223-I253 HydrophobicContact CE2-CG1 4.22Å; L249-I253 HydrophobicContact CD1-CG1 4.44Å; L249-I253 WeakPolarHBondContact O-CG1 3.41Å; L249-I253 PolarHBondContact O-N 3.41Å; F250-I253 PolarHBondContact O-N 2.87Å; F250-I253 VanDerWaalsContact O-N 3.16Å; I253-T255 PolarHBondContact O-N 3.01Å; I253-Y256 WeakPolarHBondContact O-CB 3.35Å; I253-Y256 PolarHBondContact O-N 3.38Å; I253-Y256 VanDerWaalsContact O-N 3.15Å; I253-F259 HydrophobicContact CD1-CE2 4.29Å; I253-F259 HydrophobicContact CG2-CD2 4.09Å; I253-F259 HydrophobicContact CG2-CE2 4.11Å
254I92.1Very high92.1Very high12 Ų1255.9 Ų55.96%0.06228%0.278CS..Hα-helixtrans-69-24.8-177.3-162.2163.5000113F250 K251 N312 L319F250-I254 HydrophobicContact CE1-CD1 4.1Å; F250-I254 HydrophobicContact CZ-CD1 3.85Å; F250-I254 WeakPolarHBondContact O-CG2 3.41Å; F250-I254 PolarHBondContact O-N 3.2Å; K251-I254 WeakPolarHBondContact O-CG2 3.39Å; I254-N312 HydrophobicContact CD1-CB 3.55Å; I254-N312 VanDerWaalsContact CD1-CG 3.49Å; I254-N312 WeakPolarHBondContact CD1-OD1 3.39Å; I254-L319 HydrophobicContact CD1-CD1 4.02Å; I254-L319 HydrophobicContact CD1-CD2 3.73Å; I254-L319 HydrophobicContact CD1-CG 4.21Å
255T91.3Very high92.1Very high79 Ų7952.5 Ų52.549%0.48526%0.262SS..Hα-helixtrans-86.9-8.1175.159.20000114.2K251 T252 I253 P313K251-T255 VanDerWaalsContact O-CG2 3.25Å; K251-T255 WeakPolarHBondContact O-CG2 3.47Å; K251-T255 PolarHBondContact O-N 2.68Å; K251-T255 PolarHBondContact O-OG1 2.87Å; T252-T255 PolarHBondContact O-N 2.91Å; T252-T255 PolarHBondContact O-OG1 3.04Å; I253-T255 PolarHBondContact O-N 3.01Å; T255-P313 HydrophobicContact CG2-CG 4.03Å
256Y90.7Very high92.1Very high84 Ų8451.3 Ų51.333%0.32926%0.257SS..  trans-72.1128.3-170.4-140-65.3000111.3T252 I253 W258 F259T252-Y256 HydrophobicContact CG2-CD2 4.39Å; T252-Y256 PolarHBondContact O-N 3.4Å; I253-Y256 WeakPolarHBondContact O-CB 3.35Å; I253-Y256 PolarHBondContact O-N 3.38Å; I253-Y256 VanDerWaalsContact O-N 3.15Å; Y256-W258 VanDerWaalsContact C-N 3.29Å; Y256-W258 HydrophobicContact CD1-CB 4.26Å; Y256-W258 AromaticContact CD1-CD1 3.27Å; Y256-W258 HydrophobicContact CD1-CG 4.09Å; Y256-W258 AromaticContact CE1-CD1 3.06Å; Y256-W258 HydrophobicContact CE1-CG 4.22Å; Y256-W258 AromaticContact CE1-NE1 3.5Å; Y256-W258 PolarHBondContact O-N 3.21Å; Y256-F259 PolarHBondContact O-N 2.66Å
257P89.1Confident92.2Very high101 Ų10151.3 Ų51.366%0.65626%0.257SS*.G310 helixtrans-58-34.1-177.6-29.336.1000115F259 E260P257-F259 PolarHBondContact O-N 2.94Å; P257-E260 PolarHBondContact O-N 2.85Å
258W88.6Confident92.3Very high130 Ų13049.5 Ų49.549%0.49225%0.249SC..G310 helixtrans-54.8-25.4175.7-65.2114.3000113.3I212 F215 E216 Y256I212-W258 HydrophobicContact CD1-CZ2 4.24Å; I212-W258 VanDerWaalsContact CD1-NE1 3.32Å; F215-W258 HydrophobicContact CB-CB 4.2Å; F215-W258 HydrophobicContact CB-CD2 4.49Å; F215-W258 HydrophobicContact CB-CG 4.18Å; F215-W258 HydrophobicContact CD2-CB 4.45Å; F215-W258 AromaticContact CD2-CD1 3.83Å; F215-W258 HydrophobicContact CD2-CG 4.3Å; E216-W258 HydrophobicContact CG-CZ3 4.15Å; Y256-W258 VanDerWaalsContact C-N 3.29Å; Y256-W258 HydrophobicContact CD1-CB 4.26Å; Y256-W258 AromaticContact CD1-CD1 3.27Å; Y256-W258 HydrophobicContact CD1-CG 4.09Å; Y256-W258 AromaticContact CE1-CD1 3.06Å; Y256-W258 HydrophobicContact CE1-CG 4.22Å; Y256-W258 AromaticContact CE1-NE1 3.5Å; Y256-W258 PolarHBondContact O-N 3.21Å
259F89.8Confident92.4Very high1 Ų147.5 Ų47.50%0.00423%0.232CC..G310 helixtrans-109.411-172.2-57.9-41.9000113.5L38 L40 F215 V218 I221 I253 Y256 P257 K261 S262 K317L38-F259 HydrophobicContact CD2-CE1 3.98Å; L38-F259 HydrophobicContact CD2-CZ 3.68Å; L40-F259 HydrophobicContact CD1-CE2 4.35Å; L40-F259 HydrophobicContact CD1-CZ 4.47Å; F215-F259 HydrophobicContact CB-CE1 4.09Å; F215-F259 HydrophobicContact CB-CZ 4.14Å; F215-F259 HydrophobicContact CD1-CE1 4.07Å; F215-F259 HydrophobicContact CD1-CE2 4.42Å; F215-F259 AromaticContact CD1-CZ 3.43Å; F215-F259 HydrophobicContact CD1-CZ 3.43Å; F215-F259 VanDerWaalsContact CD1-CZ 3.43Å; F215-F259 HydrophobicContact CD2-CE1 4.4Å; F215-F259 HydrophobicContact CD2-CE2 4.11Å; F215-F259 AromaticContact CD2-CZ 3.7Å; F215-F259 HydrophobicContact CD2-CZ 3.7Å; F215-F259 HydrophobicContact CE1-CE2 4.23Å; F215-F259 AromaticContact CE1-CZ 3.58Å; F215-F259 HydrophobicContact CE1-CZ 3.58Å; F215-F259 AromaticContact CE2-CE2 3.93Å; F215-F259 HydrophobicContact CE2-CE2 3.93Å; F215-F259 AromaticContact CE2-CZ 3.84Å; F215-F259 HydrophobicContact CE2-CZ 3.84Å; F215-F259 AromaticContact CG-CE1 3.95Å; F215-F259 HydrophobicContact CG-CE1 3.95Å; F215-F259 HydrophobicContact CG-CE2 4.35Å; F215-F259 AromaticContact CG-CZ 3.49Å; F215-F259 HydrophobicContact CG-CZ 3.49Å; F215-F259 VanDerWaalsContact CG-CZ 3.49Å; F215-F259 AromaticContact CZ-CE2 3.98Å; F215-F259 HydrophobicContact CZ-CE2 3.98Å; F215-F259 AromaticContact CZ-CZ 3.77Å; F215-F259 HydrophobicContact CZ-CZ 3.77Å; V218-F259 HydrophobicContact CB-CE1 4.21Å; V218-F259 HydrophobicContact CG1-CE1 4.42Å; V218-F259 HydrophobicContact CG2-CE1 4.21Å; I221-F259 HydrophobicContact CD1-CB 3.62Å; I221-F259 HydrophobicContact CD1-CD1 3.52Å; I221-F259 HydrophobicContact CD1-CD2 3.45Å; I221-F259 VanDerWaalsContact CD1-CD2 3.45Å; I221-F259 HydrophobicContact CD1-CE1 3.92Å; I221-F259 HydrophobicContact CD1-CE2 3.87Å; I221-F259 HydrophobicContact CD1-CG 3.25Å; I221-F259 HydrophobicContact CD1-CZ 4.06Å; I221-F259 HydrophobicContact CG1-CD1 4.23Å; I221-F259 HydrophobicContact CG1-CE1 4.38Å; I221-F259 HydrophobicContact CG1-CG 4.41Å; I253-F259 HydrophobicContact CD1-CE2 4.29Å; I253-F259 HydrophobicContact CG2-CD2 4.09Å; I253-F259 HydrophobicContact CG2-CE2 4.11Å; Y256-F259 PolarHBondContact O-N 2.66Å; P257-F259 PolarHBondContact O-N 2.94Å; F259-K261 PolarHBondContact O-N 3.44Å; F259-S262 PolarHBondContact O-N 3.21Å; F259-S262 VanDerWaalsContact O-N 3.13Å; F259-K317 PolarHBondContact O-NZ 3.47Å
260E86.3Confident92.5Very high152 Ų15247.5 Ų47.571%0.7123%0.231SC*.SBendtrans-53.3-44.5-177.9-173.8175.9-16300111.8P257P257-E260 PolarHBondContact O-N 2.85Å
261K83.9Confident92.5Very high202 Ų20248.1 Ų48.188%0.87824%0.235SC*.SBendtrans-87.5-18.4179.7-61.7-177.6-179.4179.40114.2F259F259-K261 PolarHBondContact O-N 3.44Å
262S88.7Confident92.6Very high8 Ų845.6 Ų45.66%0.05623%0.227CC..SBendtrans-72.6134.6-177.7-49.40000110.5V218 F259 K317V218-S262 WeakPolarHBondContact O-CB 3.33Å; V218-S262 PolarHBondContact O-OG 2.86Å; F259-S262 PolarHBondContact O-N 3.21Å; F259-S262 VanDerWaalsContact O-N 3.13Å; S262-K317 WeakPolarHBondContact O-CE 3.33Å; S262-K317 PolarHBondContact O-NZ 3.14Å
263S88.5Confident92.6Very high17 Ų1743.6 Ų43.612%0.11921%0.213CC..EExtended strand (participates in β ladder)trans-68.1151.3170.893.40000110.3T219 S220 I221T219-S263 PolarHBondContact O-N 3.42Å; S220-S263 WeakPolarHBondContact CA-O 3.49Å; S220-S263 VanDerWaalsContact CB-OG 3.32Å; S220-S263 WeakPolarHBondContact CB-OG 3.19Å; S220-S263 PolarHBondContact OG-OG 3.44Å; I221-S263 PolarHBondContact N-O 3.14Å
264V92.1Very high92.8Very high1 Ų143.3 Ų43.31%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-124.5124.3-179.2178.50000109.5I221 F250 L319 Y320I221-V264 HydrophobicContact CB-CG2 4.36Å; I221-V264 HydrophobicContact CD1-CG2 4.24Å; F250-V264 HydrophobicContact CE2-CG1 4Å; F250-V264 HydrophobicContact CZ-CG1 4.4Å; V264-L319 HydrophobicContact CB-CD2 3.65Å; V264-L319 HydrophobicContact CG1-CD2 3.52Å; V264-Y320 PolarHBondContact O-N 2.79Å
265I94.8Very high93Very high0 Ų048.2 Ų48.20%023%0.232CC..EExtended strand (participates in β ladder)trans-114.4128.6-179.9-54.4176.3000107I221 I222 F223 F267 Y320 V339 I343I221-I265 PolarHBondContact O-N 3.42Å; I222-I265 CarbonylContact C-O 3.54Å; I222-I265 WeakPolarHBondContact CA-O 3.31Å; I222-I265 HydrophobicContact CG1-CB 4.44Å; I222-I265 HydrophobicContact CG1-CD1 4.46Å; F223-I265 PolarHBondContact N-O 2.84Å; I265-F267 HydrophobicContact CG2-CD1 3.92Å; I265-F267 HydrophobicContact CG2-CE1 3.57Å; I265-F267 HydrophobicContact CG2-CZ 4.32Å; I265-Y320 CarbonylContact C-O 3.52Å; I265-Y320 VanDerWaalsContact CA-O 3.26Å; I265-Y320 WeakPolarHBondContact CA-O 3.18Å; I265-Y320 WeakPolarHBondContact CG2-O 3.49Å; I265-V339 HydrophobicContact CD1-CB 4.2Å; I265-V339 HydrophobicContact CD1-CG1 3.42Å; I265-V339 VanDerWaalsContact CD1-CG1 3.42Å; I265-V339 HydrophobicContact CD1-CG2 4.03Å; I265-V339 HydrophobicContact CG2-CG2 3.82Å; I265-I343 HydrophobicContact CD1-CD1 3.96Å; I265-I343 HydrophobicContact CD1-CG1 3.98Å
266L96.4Very high93.1Very high0 Ų048.9 Ų48.90%023%0.23CC..EExtended strand (participates in β ladder)trans-108.5114.4-178.4-174.367.4000109.4F223 V225 F250 L268 L305 Y308 Y320 S321 H322F223-L266 HydrophobicContact CB-CD1 4.26Å; F223-L266 HydrophobicContact CD1-CD1 3.87Å; F223-L266 HydrophobicContact CG-CD1 4.49Å; V225-L266 HydrophobicContact CG2-CD1 3.65Å; F250-L266 HydrophobicContact CD2-CD1 4.32Å; F250-L266 HydrophobicContact CE2-CD1 4.03Å; F250-L266 HydrophobicContact CZ-CD1 4.44Å; L266-L268 HydrophobicContact CD2-CD1 4.1Å; L266-L268 HydrophobicContact CG-CD1 4.11Å; L266-L268 HydrophobicContact CG-CG 4.45Å; L266-L305 HydrophobicContact CD2-CD1 4.03Å; L266-Y308 HydrophobicContact CD1-CD1 4.23Å; L266-Y308 HydrophobicContact CD2-CG 4.25Å; L266-Y320 PolarHBondContact N-O 2.97Å; L266-S321 CarbonylContact O-C 3.59Å; L266-S321 VanDerWaalsContact O-CA 3.27Å; L266-S321 WeakPolarHBondContact O-CA 3.24Å; L266-H322 PolarHBondContact O-N 2.87Å
267F97.9Very high93.3Very high1 Ų145 Ų450%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-99.1115.3172.7-76.1-5.1000110.2F50 I222 F223 L224 V225 I265 N269 H322 T324 V335 V339F50-F267 HydrophobicContact CD2-CD2 4.38Å; F50-F267 AromaticContact CD2-CE2 3.86Å; F50-F267 HydrophobicContact CD2-CE2 3.86Å; F50-F267 HydrophobicContact CE1-CE2 4.23Å; F50-F267 HydrophobicContact CE2-CD2 4.33Å; F50-F267 AromaticContact CE2-CE2 3.4Å; F50-F267 HydrophobicContact CE2-CE2 3.4Å; F50-F267 VanDerWaalsContact CE2-CE2 3.4Å; F50-F267 HydrophobicContact CE2-CZ 4.1Å; F50-F267 HydrophobicContact CG-CE2 4.46Å; F50-F267 AromaticContact CZ-CE2 3.62Å; F50-F267 HydrophobicContact CZ-CE2 3.62Å; F50-F267 HydrophobicContact CZ-CZ 4.18Å; I222-F267 HydrophobicContact CG2-CD1 4.4Å; I222-F267 HydrophobicContact CG2-CD2 3.41Å; I222-F267 VanDerWaalsContact CG2-CD2 3.41Å; I222-F267 HydrophobicContact CG2-CE1 4.46Å; I222-F267 HydrophobicContact CG2-CE2 3.44Å; I222-F267 VanDerWaalsContact CG2-CE2 3.44Å; I222-F267 HydrophobicContact CG2-CG 3.92Å; I222-F267 HydrophobicContact CG2-CZ 4.02Å; F223-F267 PolarHBondContact O-N 3.05Å; L224-F267 WeakPolarHBondContact CA-O 3.41Å; L224-F267 HydrophobicContact CG-CB 4.12Å; L224-F267 HydrophobicContact CG-CD2 4.32Å; V225-F267 PolarHBondContact N-O 3.11Å; I265-F267 HydrophobicContact CG2-CD1 3.92Å; I265-F267 HydrophobicContact CG2-CE1 3.57Å; I265-F267 HydrophobicContact CG2-CZ 4.32Å; F267-N269 PolarHBondContact O-N 3.38Å; F267-H322 WeakPolarHBondContact CA-O 3.26Å; F267-H322 HydrophobicContact CD1-CB 3.95Å; F267-H322 HydrophobicContact CE1-CB 4.04Å; F267-H322 AromaticContact CE1-CD2 3.89Å; F267-T324 HydrophobicContact CB-CG2 4.34Å; F267-T324 HydrophobicContact CD1-CG2 4.1Å; F267-T324 HydrophobicContact CD2-CG2 4.33Å; F267-T324 HydrophobicContact CE1-CG2 4.47Å; F267-T324 HydrophobicContact CG-CG2 4.01Å; F267-V335 HydrophobicContact CD1-CG1 4.28Å; F267-V335 HydrophobicContact CE1-CG1 3.45Å; F267-V335 VanDerWaalsContact CE1-CG1 3.45Å; F267-V335 HydrophobicContact CZ-CG1 3.63Å; F267-V339 HydrophobicContact CE1-CG2 3.77Å; F267-V339 HydrophobicContact CZ-CG2 3.85Å
268L98.3Very high93.6Very high0 Ų040.4 Ų40.40%019%0.185CC..EExtended strand (participates in β ladder)trans-92.588.3172-62.5105.1000107.9L227 L266 T271 I304 L305 H322 F323 T324L227-L268 HydrophobicContact CD1-CB 3.97Å; L227-L268 HydrophobicContact CD2-CB 3.97Å; L227-L268 HydrophobicContact CD2-CD2 3.8Å; L227-L268 HydrophobicContact CD2-CG 4.48Å; L227-L268 HydrophobicContact CG-CB 3.96Å; L266-L268 HydrophobicContact CD2-CD1 4.1Å; L266-L268 HydrophobicContact CG-CD1 4.11Å; L266-L268 HydrophobicContact CG-CG 4.45Å; L268-T271 WeakPolarHBondContact O-CG2 3.23Å; L268-I304 HydrophobicContact CD2-CG2 4.1Å; L268-L305 HydrophobicContact CD1-CD1 3.77Å; L268-L305 HydrophobicContact CD2-CB 4.02Å; L268-H322 PolarHBondContact N-O 3.32Å; L268-F323 HydrophobicContact CB-CD1 3.65Å; L268-F323 HydrophobicContact CB-CE1 3.93Å; L268-F323 HydrophobicContact CD1-CD1 4.32Å; L268-F323 HydrophobicContact CD1-CE1 4.11Å; L268-F323 HydrophobicContact CD2-CE1 4.05Å; L268-F323 HydrophobicContact CG-CD1 4.4Å; L268-F323 HydrophobicContact CG-CE1 4.24Å; L268-T324 PolarHBondContact O-N 3.39Å
269N97.9Very high93.8Very high5 Ų538.1 Ų38.13%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-87.2169.9-171.4-169.229.4000112.4S45 V225 L227 F267 T271 T324 A326S45-N269 PolarHBondContact O-ND2 3.01Å; V225-N269 PolarHBondContact O-N 3.38Å; L227-N269 VanDerWaalsContact CB-O 3.29Å; L227-N269 WeakPolarHBondContact CB-O 3.44Å; L227-N269 WeakPolarHBondContact CG-O 3.32Å; L227-N269 PolarHBondContact N-O 3.02Å; F267-N269 PolarHBondContact O-N 3.38Å; N269-T271 VanDerWaalsContact C-N 3.31Å; N269-T324 CarbonylContact C-O 3.31Å; N269-T324 WeakPolarHBondContact CA-O 3.47Å; N269-T324 VanDerWaalsContact CA-OG1 3.27Å; N269-T324 WeakPolarHBondContact CA-OG1 3.01Å; N269-T324 WeakPolarHBondContact CB-OG1 3.38Å; N269-T324 PolarHBondContact OD1-O 3.12Å; N269-A326 WeakPolarHBondContact OD1-CB 3.35Å; N269-A326 PolarHBondContact OD1-N 3.18Å
270K97.3Very high93.9Very high15 Ų1543.6 Ų43.67%0.06520%0.203CC..  trans62.337.6-178.8-51-178-176.7-179.30112.4E44 D150 A226 S228 E229 D272 I273 L274 T324E44-K270 WeakPolarHBondContact O-CE 3.32Å; E44-K270 PolarHBondContact O-NZ 3.29Å; D150-K270 WeakPolarHBondContact OD2-CD 3.35Å; D150-K270 WeakPolarHBondContact OD2-CE 3.07Å; D150-K270 IonicContact OD2-NZ 2.91Å; D150-K270 PolarHBondContact OD2-NZ 3.43Å; A226-K270 HydrophobicContact CB-CD 3.76Å; A226-K270 HydrophobicContact CB-CG 4.46Å; S228-K270 WeakPolarHBondContact OG-CD 3.43Å; E229-K270 IonicContact OE1-NZ 3.57Å; K270-D272 WeakPolarHBondContact CA-OD1 3.47Å; K270-D272 PolarHBondContact O-N 2.88Å; K270-I273 HydrophobicContact CB-CB 4.3Å; K270-I273 HydrophobicContact CB-CD1 4.25Å; K270-I273 HydrophobicContact CB-CG1 4.39Å; K270-I273 HydrophobicContact CD-CD1 4.24Å; K270-I273 HydrophobicContact CG-CD1 4.41Å; K270-I273 PolarHBondContact O-N 2.79Å; K270-L274 PolarHBondContact O-N 3.06Å; K270-T324 PolarHBondContact N-O 2.79Å
271T97.5Very high94.3Very high13 Ų1336.4 Ų36.48%0.0817%0.169CC..Hα-helixtrans-61.4-31.117853.60000112.8L227 L268 N269 K275 F323 T324L227-T271 HydrophobicContact CD1-CG2 3.58Å; L268-T271 WeakPolarHBondContact O-CG2 3.23Å; N269-T271 VanDerWaalsContact C-N 3.31Å; T271-K275 VanDerWaalsContact O-CG 3.24Å; T271-K275 WeakPolarHBondContact O-CG 3.41Å; T271-K275 PolarHBondContact O-N 3.04Å; T271-F323 HydrophobicContact CG2-CB 3.87Å; T271-F323 HydrophobicContact CG2-CD1 4.39Å; T271-T324 WeakPolarHBondContact CG2-O 3.42Å; T271-T324 PolarHBondContact N-O 3.4Å; T271-T324 PolarHBondContact OG1-O 2.88Å
272D96.1Very high94.8Very high58 Ų5829.3 Ų29.331%0.3114%0.139SC..Hα-helixtrans-62.4-49.2172.155.7-46.2000111.7K270 K275 E276 C325K270-D272 WeakPolarHBondContact CA-OD1 3.47Å; K270-D272 PolarHBondContact O-N 2.88Å; D272-K275 WeakPolarHBondContact O-CB 3.32Å; D272-K275 PolarHBondContact O-N 2.95Å; D272-E276 PolarHBondContact O-N 3.2Å; D272-C325 PolarHBondContact OD1-SG 2.72Å
273I95.5Very high95.1Very high31 Ų3129 Ų2916%0.15914%0.137CC..Hα-helixtrans-69.2-38-179.4-54.2-178.9000110.9D150 S228 K270 K275 E276 K277D150-I273 HydrophobicContact CB-CD1 3.63Å; S228-I273 VanDerWaalsContact CB-CG2 3.43Å; K270-I273 HydrophobicContact CB-CB 4.3Å; K270-I273 HydrophobicContact CB-CD1 4.25Å; K270-I273 HydrophobicContact CB-CG1 4.39Å; K270-I273 HydrophobicContact CD-CD1 4.24Å; K270-I273 HydrophobicContact CG-CD1 4.41Å; K270-I273 PolarHBondContact O-N 2.79Å; I273-K275 VanDerWaalsContact C-N 3.3Å; I273-K275 PolarHBondContact O-N 3.05Å; I273-E276 PolarHBondContact O-N 3.02Å; I273-K277 VanDerWaalsContact O-CB 3.29Å; I273-K277 WeakPolarHBondContact O-CB 3.37Å; I273-K277 PolarHBondContact O-N 3.37Å
274L97Very high95.5Very high0 Ų030 Ų300%015%0.146CC..Hα-helixtrans-58.1-44.1173.3176.266.7000111.4L227 Y230 K270 E276 K277 I278 A300 Q301L227-L274 HydrophobicContact CB-CB 3.99Å; L227-L274 HydrophobicContact CB-CD2 4Å; L227-L274 HydrophobicContact CB-CG 4.44Å; L227-L274 HydrophobicContact CD1-CD2 3.93Å; L227-L274 HydrophobicContact CD2-CD2 4.42Å; L227-L274 HydrophobicContact CG-CD2 4.36Å; Y230-L274 HydrophobicContact CD1-CD1 4.08Å; Y230-L274 HydrophobicContact CE1-CD1 3.74Å; K270-L274 PolarHBondContact O-N 3.06Å; L274-E276 VanDerWaalsContact C-N 3.32Å; L274-E276 PolarHBondContact O-N 3.45Å; L274-K277 PolarHBondContact O-N 3.31Å; L274-I278 WeakPolarHBondContact O-CB 3.47Å; L274-I278 WeakPolarHBondContact O-CG2 3.35Å; L274-I278 PolarHBondContact O-N 3.27Å; L274-A300 HydrophobicContact CD1-CB 4.48Å; L274-A300 HydrophobicContact CD2-CB 4.34Å; L274-Q301 HydrophobicContact CD2-CG 3.57Å
275K96Very high95.6Very high115 Ų11534.7 Ų34.750%0.518%0.175SC..Hα-helixtrans-61.5-39.1179.7-75.3168.1-178.6179.80112.3T271 D272 I273 P297T271-K275 VanDerWaalsContact O-CG 3.24Å; T271-K275 WeakPolarHBondContact O-CG 3.41Å; T271-K275 PolarHBondContact O-N 3.04Å; D272-K275 WeakPolarHBondContact O-CB 3.32Å; D272-K275 PolarHBondContact O-N 2.95Å; I273-K275 VanDerWaalsContact C-N 3.3Å; I273-K275 PolarHBondContact O-N 3.05Å; K275-P297 HydrophobicContact CB-CB 4.44Å; K275-P297 HydrophobicContact CB-CG 4.3Å; K275-P297 HydrophobicContact CG-CB 3.65Å; K275-P297 HydrophobicContact CG-CG 3.89Å
276E93.6Very high95.6Very high92 Ų9238.5 Ų38.543%0.4319%0.19SC..Hα-helixtrans-67-48.4174-174.3173.6-174.300110.5K153 D272 I273 L274 Y280K153-E276 IonicContact NZ-OE1 2.75Å; K153-E276 PolarHBondContact NZ-OE1 3.35Å; D272-E276 PolarHBondContact O-N 3.2Å; I273-E276 PolarHBondContact O-N 3.02Å; L274-E276 VanDerWaalsContact C-N 3.32Å; L274-E276 PolarHBondContact O-N 3.45Å; E276-Y280 HydrophobicContact CG-CE1 4.48Å; E276-Y280 WeakPolarHBondContact O-CE1 3.47Å
277K93.7Very high95.6Very high3 Ų338.7 Ų38.71%0.01319%0.191CC..Hα-helixtrans-72.8-36.6-168.7-156.4179.9-148.4177.10115S228 Y230 D231 I273 L274 I279 Y280 S281S228-K277 PolarHBondContact O-NZ 3.35Å; S228-K277 VanDerWaalsContact O-NZ 3.14Å; Y230-K277 HydrophobicContact CE1-CB 4.46Å; Y230-K277 HydrophobicContact CE1-CD 3.86Å; Y230-K277 HydrophobicContact CE1-CG 4.36Å; D231-K277 VanDerWaalsContact CG-CE 3.43Å; D231-K277 VanDerWaalsContact CG-NZ 3.31Å; D231-K277 WeakPolarHBondContact OD1-CE 3.46Å; D231-K277 IonicContact OD1-NZ 2.75Å; D231-K277 PolarHBondContact OD1-NZ 3.28Å; D231-K277 WeakPolarHBondContact OD2-CD 3.46Å; D231-K277 WeakPolarHBondContact OD2-CE 3.42Å; D231-K277 IonicContact OD2-NZ 3.55Å; D231-K277 PolarHBondContact OD2-NZ 2.85Å; I273-K277 VanDerWaalsContact O-CB 3.29Å; I273-K277 WeakPolarHBondContact O-CB 3.37Å; I273-K277 PolarHBondContact O-N 3.37Å; L274-K277 PolarHBondContact O-N 3.31Å; K277-I279 PolarHBondContact O-N 2.71Å; K277-Y280 HydrophobicContact CG-CE2 3.86Å; K277-Y280 PolarHBondContact O-N 3.13Å; K277-S281 PolarHBondContact O-N 2.98Å
278I95.2Very high95.6Very high4 Ų443.4 Ų43.42%0.02122%0.221CC..THydrogen-bonded Turntrans-63.7-17-173.4-160.364.2000113.3L274 Y280 L283 P297 A300L274-I278 WeakPolarHBondContact O-CB 3.47Å; L274-I278 WeakPolarHBondContact O-CG2 3.35Å; L274-I278 PolarHBondContact O-N 3.27Å; I278-Y280 VanDerWaalsContact C-N 3.35Å; I278-L283 HydrophobicContact CD1-CB 4.02Å; I278-P297 HydrophobicContact CG2-CB 4.31Å; I278-P297 HydrophobicContact CG2-CG 3.79Å; I278-A300 HydrophobicContact CD1-CB 3.94Å; I278-A300 HydrophobicContact CG1-CB 4.21Å
279I94.2Very high95.5Very high83 Ų8349.8 Ų49.843%0.42625%0.251SS..THydrogen-bonded Turntrans-66.8-37.1178.6-55.4-55.4000111.4K277 Q295K277-I279 PolarHBondContact O-N 2.71Å; I279-Q295 HydrophobicContact CD1-CB 4.2Å; I279-Q295 WeakPolarHBondContact O-CG 3.31Å; I279-Q295 PolarHBondContact O-NE2 3.24Å
280Y91.7Very high95.4Very high115 Ų11550.4 Ų50.445%0.45125%0.254SS..THydrogen-bonded Turntrans-120.8-18.6-173.752.3-96.4000114.3E276 K277 I278E276-Y280 HydrophobicContact CG-CE1 4.48Å; E276-Y280 WeakPolarHBondContact O-CE1 3.47Å; K277-Y280 HydrophobicContact CG-CE2 3.86Å; K277-Y280 PolarHBondContact O-N 3.13Å; I278-Y280 VanDerWaalsContact C-N 3.35Å
281S94.1Very high95.3Very high1 Ų156.3 Ų56.31%0.00729%0.291CS..SBendtrans-112.9113.8173.8-167.40000108.8R144 Y230 D231 K277R144-S281 PolarHBondContact NH1-OG 2.96Å; Y230-S281 VanDerWaalsContact OH-CB 3.32Å; Y230-S281 WeakPolarHBondContact OH-CB 3.39Å; Y230-S281 PolarHBondContact OH-O 2.97Å; D231-S281 WeakPolarHBondContact OD2-CB 3.42Å; D231-S281 PolarHBondContact OD2-OG 2.81Å; K277-S281 PolarHBondContact O-N 2.98Å
282H94Very high95.1Very high54 Ų5457.1 Ų57.125%0.2530%0.302CS..  trans-89.4128.7-171.9-58.9-49.8000111.5A284 T285H282-A284 VanDerWaalsContact C-N 3.29Å; H282-A284 PolarHBondContact O-N 3.2Å; H282-T285 VanDerWaalsContact O-CB 3.29Å; H282-T285 WeakPolarHBondContact O-CB 3.49Å; H282-T285 PolarHBondContact O-N 3Å; H282-T285 VanDerWaalsContact O-N 3.09Å; H282-T285 PolarHBondContact O-OG1 3.43Å
283L96Very high95.1Very high2 Ų257.8 Ų57.81%0.0131%0.31CS..Hα-helixtrans-58.6-38.6-177.8-169.863.4000113Y230 I278 T285 Y286 F287 F290 A300 F303 I304Y230-L283 HydrophobicContact CD2-CD1 3.58Å; Y230-L283 HydrophobicContact CE2-CD1 4.31Å; Y230-L283 HydrophobicContact CG-CD1 3.69Å; I278-L283 HydrophobicContact CD1-CB 4.02Å; L283-T285 PolarHBondContact O-N 3.02Å; L283-T285 VanDerWaalsContact O-N 3.15Å; L283-Y286 PolarHBondContact O-N 3.44Å; L283-F287 HydrophobicContact CD1-CD2 3.73Å; L283-F287 HydrophobicContact CD1-CE2 4.33Å; L283-F287 HydrophobicContact CG-CD2 4.39Å; L283-F287 PolarHBondContact O-N 3.33Å; L283-F290 HydrophobicContact CB-CD1 3.98Å; L283-F290 HydrophobicContact CB-CE1 4.31Å; L283-F290 HydrophobicContact CB-CG 4.4Å; L283-F290 HydrophobicContact CD2-CB 4.43Å; L283-F290 HydrophobicContact CD2-CD1 4.22Å; L283-F290 HydrophobicContact CD2-CD2 3.97Å; L283-F290 HydrophobicContact CD2-CE1 4.49Å; L283-F290 HydrophobicContact CD2-CE2 4.24Å; L283-F290 HydrophobicContact CD2-CG 3.94Å; L283-F290 HydrophobicContact CD2-CZ 4.48Å; L283-F290 HydrophobicContact CG-CB 4.44Å; L283-F290 HydrophobicContact CG-CD1 4.37Å; L283-F290 HydrophobicContact CG-CG 4.28Å; L283-A300 HydrophobicContact CD2-CB 3.9Å; L283-F303 HydrophobicContact CD2-CD1 3.65Å; L283-F303 HydrophobicContact CD2-CE1 4.25Å; L283-F303 HydrophobicContact CD2-CG 4.4Å; L283-F303 HydrophobicContact CG-CD1 4.43Å; L283-I304 HydrophobicContact CD1-CD1 4.39Å; L283-I304 HydrophobicContact CD2-CG1 4.39Å
284A95.9Very high95Very high38 Ų3862.3 Ų62.331%0.31433%0.33SS..Hα-helixtrans-60.4-22.9178.800000114.1H282 Y286 F287 F290H282-A284 VanDerWaalsContact C-N 3.29Å; H282-A284 PolarHBondContact O-N 3.2Å; A284-Y286 VanDerWaalsContact C-N 3.27Å; A284-Y286 PolarHBondContact O-N 3.02Å; A284-F287 WeakPolarHBondContact CA-O 3.49Å; A284-F290 HydrophobicContact CB-CD1 4.22Å
285T95Very high94.9Very high99 Ų9967.3 Ų67.361%0.60735%0.353SS*.Hα-helixtrans-66.5-32.4175.6-55.10000111.8H282 L283H282-T285 VanDerWaalsContact O-CB 3.29Å; H282-T285 WeakPolarHBondContact O-CB 3.49Å; H282-T285 PolarHBondContact O-N 3Å; H282-T285 VanDerWaalsContact O-N 3.09Å; H282-T285 PolarHBondContact O-OG1 3.43Å; L283-T285 PolarHBondContact O-N 3.02Å; L283-T285 VanDerWaalsContact O-N 3.15Å
286Y95.1Very high94.9Very high80 Ų8065 Ų6531%0.31435%0.346SS..Hα-helixtrans-103.8-29.1-175.9-58.7-86.7000112Y230 D231 L283 A284Y230-Y286 HydrophobicContact CD2-CD2 4.03Å; Y230-Y286 HydrophobicContact CE2-CD2 4.23Å; Y230-Y286 HydrophobicContact CE2-CE2 4.48Å; Y230-Y286 WeakPolarHBondContact O-CB 3.45Å; D231-Y286 HydrophobicContact CB-CD1 4.09Å; D231-Y286 HydrophobicContact CB-CD2 3.7Å; D231-Y286 HydrophobicContact CB-CE1 3.68Å; D231-Y286 HydrophobicContact CB-CE2 3.27Å; D231-Y286 HydrophobicContact CB-CG 4.1Å; L283-Y286 PolarHBondContact O-N 3.44Å; A284-Y286 VanDerWaalsContact C-N 3.27Å; A284-Y286 PolarHBondContact O-N 3.02Å
287F96.4Very high95Very high4 Ų462.1 Ų62.12%0.01834%0.336CS..  trans-128.785.8178.6-62.4-83.8000109.5Y230 M243 E244 L283 A284 E289 F290 F303 M307Y230-F287 WeakPolarHBondContact O-CE2 3.27Å; M243-F287 HydrophobicContact CB-CZ 4.06Å; M243-F287 HydrophobicContact CG-CZ 4.07Å; M243-F287 HydrophobicContact SD-CE2 4.03Å; M243-F287 HydrophobicContact SD-CZ 3.94Å; E244-F287 HydrophobicContact CG-CE1 4.1Å; E244-F287 HydrophobicContact CG-CZ 4.43Å; E244-F287 VanDerWaalsContact OE1-CE1 3.31Å; E244-F287 WeakPolarHBondContact OE1-CE1 3.29Å; L283-F287 HydrophobicContact CD1-CD2 3.73Å; L283-F287 HydrophobicContact CD1-CE2 4.33Å; L283-F287 HydrophobicContact CG-CD2 4.39Å; L283-F287 PolarHBondContact O-N 3.33Å; A284-F287 WeakPolarHBondContact CA-O 3.49Å; F287-E289 PolarHBondContact O-N 2.86Å; F287-F290 WeakPolarHBondContact O-CB 3.22Å; F287-F290 PolarHBondContact O-N 3.31Å; F287-F303 HydrophobicContact CB-CE1 3.77Å; F287-F303 HydrophobicContact CB-CZ 4.06Å; F287-F303 HydrophobicContact CG-CE1 4.25Å; F287-M307 HydrophobicContact CD1-CE 3.51Å; F287-M307 HydrophobicContact CD1-SD 4.25Å; F287-M307 HydrophobicContact CE1-CE 3.36Å; F287-M307 HydrophobicContact CG-CE 4.36Å; F287-M307 HydrophobicContact CZ-CE 4.14Å
288P96.3Very high95.2Very high100 Ų10063.3 Ų63.365%0.64935%0.349SS*.THydrogen-bonded Turntrans-59.4-18.3-176-25.435.8000114.6F290P288-F290 PolarHBondContact O-N 3.25Å
289E95.9Very high95.3Very high134 Ų13463.9 Ų63.963%0.62636%0.355SS*.THydrogen-bonded Turntrans-70.9-15.4174.9-55.782.5178.800113.1F287 T291 F303F287-E289 PolarHBondContact O-N 2.86Å; E289-T291 PolarHBondContact O-N 3.02Å; E289-F303 HydrophobicContact CB-CE2 4.3Å; E289-F303 HydrophobicContact CB-CZ 4.2Å
290F96.8Very high95.5Very high18 Ų1860 Ų608%0.07933%0.334CS..  trans-71.7110.4175-179.7-112.1000110.7L283 A284 F287 P288 G292 A299 F303L283-F290 HydrophobicContact CB-CD1 3.98Å; L283-F290 HydrophobicContact CB-CE1 4.31Å; L283-F290 HydrophobicContact CB-CG 4.4Å; L283-F290 HydrophobicContact CD2-CB 4.43Å; L283-F290 HydrophobicContact CD2-CD1 4.22Å; L283-F290 HydrophobicContact CD2-CD2 3.97Å; L283-F290 HydrophobicContact CD2-CE1 4.49Å; L283-F290 HydrophobicContact CD2-CE2 4.24Å; L283-F290 HydrophobicContact CD2-CG 3.94Å; L283-F290 HydrophobicContact CD2-CZ 4.48Å; L283-F290 HydrophobicContact CG-CB 4.44Å; L283-F290 HydrophobicContact CG-CD1 4.37Å; L283-F290 HydrophobicContact CG-CG 4.28Å; A284-F290 HydrophobicContact CB-CD1 4.22Å; F287-F290 WeakPolarHBondContact O-CB 3.22Å; F287-F290 PolarHBondContact O-N 3.31Å; P288-F290 PolarHBondContact O-N 3.25Å; F290-G292 WeakPolarHBondContact CE1-O 3.46Å; F290-A299 HydrophobicContact CE2-CB 4.27Å; F290-A299 HydrophobicContact CZ-CB 4.05Å; F290-F303 HydrophobicContact CB-CD1 4.17Å; F290-F303 HydrophobicContact CB-CD2 4.2Å; F290-F303 HydrophobicContact CB-CE1 3.91Å; F290-F303 HydrophobicContact CB-CE2 3.97Å; F290-F303 HydrophobicContact CB-CG 4.29Å; F290-F303 HydrophobicContact CB-CZ 3.81Å; F290-F303 HydrophobicContact CD2-CB 3.57Å; F290-F303 AromaticContact CD2-CD1 3.92Å; F290-F303 HydrophobicContact CD2-CD1 3.92Å; F290-F303 AromaticContact CD2-CD2 3.7Å; F290-F303 HydrophobicContact CD2-CD2 3.7Å; F290-F303 HydrophobicContact CD2-CE1 4.49Å; F290-F303 HydrophobicContact CD2-CE2 4.33Å; F290-F303 AromaticContact CD2-CG 3.45Å; F290-F303 HydrophobicContact CD2-CG 3.45Å; F290-F303 VanDerWaalsContact CD2-CG 3.45Å; F290-F303 HydrophobicContact CE2-CB 3.82Å; F290-F303 HydrophobicContact CE2-CG 4.22Å; F290-F303 HydrophobicContact CG-CD1 4.39Å; F290-F303 HydrophobicContact CG-CD2 4.45Å; F290-F303 HydrophobicContact CG-CG 4.28Å
291T94.9Very high95.8Very high139 Ų13955.7 Ų55.785%0.85332%0.319SS*.  trans-106.57.9179.1500000113.2E289E289-T291 PolarHBondContact O-N 3.02Å
292G93.4Very high95.9Very high30 Ų3062.2 Ų62.231%0.30935%0.349SS..SBendtrans-76.2174.1178.900000113.6F290F290-G292 WeakPolarHBondContact CE1-O 3.46Å
293P95.5Very high96.1Very high72 Ų7261.3 Ų61.347%0.46834%0.344SS..  trans-61.8145.6176.524.8-32.8000112.1D296 A299P293-D296 HydrophobicContact CB-CB 4.19Å; P293-D296 HydrophobicContact CG-CB 3.71Å; P293-A299 HydrophobicContact CG-CB 3.88Å
294Q93.6Very high96.2Very high126 Ų12661.2 Ų61.259%0.58934%0.344SS*.THydrogen-bonded Turntrans-72154.4169.8-65.1-176.31.800110.4D296Q294-D296 PolarHBondContact O-N 3.12Å; Q294-D296 VanDerWaalsContact O-N 3.14Å
295Q95.1Very high96.3Very high104 Ų10460.5 Ų60.549%0.48634%0.335SS..THydrogen-bonded Turntrans59.521.3176.8-50.9-177.9-19.600114.5I279 P297I279-Q295 HydrophobicContact CD1-CB 4.2Å; I279-Q295 WeakPolarHBondContact O-CG 3.31Å; I279-Q295 PolarHBondContact O-NE2 3.24Å; Q295-P297 WeakPolarHBondContact O-CD 3.39Å
296D96.6Very high96.4Very high66 Ų6661.6 Ų61.635%0.35333%0.331SS..  trans-108.4105.4176.8-172-33.1000109.9P293 Q294 G298 A299 A300P293-D296 HydrophobicContact CB-CB 4.19Å; P293-D296 HydrophobicContact CG-CB 3.71Å; Q294-D296 PolarHBondContact O-N 3.12Å; Q294-D296 VanDerWaalsContact O-N 3.14Å; D296-G298 VanDerWaalsContact C-N 3.27Å; D296-G298 PolarHBondContact O-N 3.17Å; D296-G298 WeakPolarHBondContact OD1-CA 3.38Å; D296-G298 PolarHBondContact OD1-N 3.01Å; D296-A299 HydrophobicContact CB-CB 3.93Å; D296-A299 PolarHBondContact OD1-N 3.11Å; D296-A300 WeakPolarHBondContact O-CB 3.43Å; D296-A300 PolarHBondContact O-N 3.2Å; D296-A300 VanDerWaalsContact O-N 3.12Å
297P96.1Very high96.5Very high32 Ų3258.4 Ų58.421%0.20832%0.319CS..Hα-helixtrans-62-32.9177.8-18.528000113.4K275 I278 Q295 Q301K275-P297 HydrophobicContact CB-CB 4.44Å; K275-P297 HydrophobicContact CB-CG 4.3Å; K275-P297 HydrophobicContact CG-CB 3.65Å; K275-P297 HydrophobicContact CG-CG 3.89Å; I278-P297 HydrophobicContact CG2-CB 4.31Å; I278-P297 HydrophobicContact CG2-CG 3.79Å; Q295-P297 WeakPolarHBondContact O-CD 3.39Å; P297-Q301 VanDerWaalsContact O-CB 3.29Å; P297-Q301 WeakPolarHBondContact O-CB 3.48Å; P297-Q301 WeakPolarHBondContact O-CG 3.36Å; P297-Q301 PolarHBondContact O-N 3.12Å
298G97.2Very high96.5Very high28 Ų2858.2 Ų58.229%0.28932%0.318SS..Hα-helixtrans-69.7-47.7-178.700000111.2D296 A300 Q301 E302D296-G298 VanDerWaalsContact C-N 3.27Å; D296-G298 PolarHBondContact O-N 3.17Å; D296-G298 WeakPolarHBondContact OD1-CA 3.38Å; D296-G298 PolarHBondContact OD1-N 3.01Å; G298-A300 VanDerWaalsContact C-N 3.31Å; G298-A300 PolarHBondContact O-N 2.74Å; G298-Q301 WeakPolarHBondContact O-CB 3.37Å; G298-Q301 PolarHBondContact O-N 2.84Å; G298-E302 WeakPolarHBondContact O-CG 3.48Å; G298-E302 PolarHBondContact O-N 3.04Å
299A97.5Very high96.4Very high17 Ų1757 Ų5714%0.1430%0.304CS..Hα-helixtrans-60.9-40.7175.500000112F290 P293 D296 F303F290-A299 HydrophobicContact CE2-CB 4.27Å; F290-A299 HydrophobicContact CZ-CB 4.05Å; P293-A299 HydrophobicContact CG-CB 3.88Å; D296-A299 HydrophobicContact CB-CB 3.93Å; D296-A299 PolarHBondContact OD1-N 3.11Å; A299-F303 WeakPolarHBondContact O-CB 3.44Å; A299-F303 PolarHBondContact O-N 3Å
300A97.7Very high96.4Very high0 Ų056.1 Ų56.10%030%0.3CS..Hα-helixtrans-63.4-44.9175.400000112.1L274 I278 L283 D296 G298 F303 I304L274-A300 HydrophobicContact CD1-CB 4.48Å; L274-A300 HydrophobicContact CD2-CB 4.34Å; I278-A300 HydrophobicContact CD1-CB 3.94Å; I278-A300 HydrophobicContact CG1-CB 4.21Å; L283-A300 HydrophobicContact CD2-CB 3.9Å; D296-A300 WeakPolarHBondContact O-CB 3.43Å; D296-A300 PolarHBondContact O-N 3.2Å; D296-A300 VanDerWaalsContact O-N 3.12Å; G298-A300 VanDerWaalsContact C-N 3.31Å; G298-A300 PolarHBondContact O-N 2.74Å; A300-F303 PolarHBondContact O-N 3.46Å; A300-I304 VanDerWaalsContact O-CG1 3.3Å; A300-I304 WeakPolarHBondContact O-CG1 3.21Å; A300-I304 PolarHBondContact O-N 2.91Å
301Q97.8Very high96.3Very high26 Ų2657 Ų5712%0.12130%0.304CS..Hα-helixtrans-58.6-48176.5-84.3178-13.800112.5L227 L274 P297 G298 I304 L305 F323L227-Q301 HydrophobicContact CD1-CG 4.07Å; L274-Q301 HydrophobicContact CD2-CG 3.57Å; P297-Q301 VanDerWaalsContact O-CB 3.29Å; P297-Q301 WeakPolarHBondContact O-CB 3.48Å; P297-Q301 WeakPolarHBondContact O-CG 3.36Å; P297-Q301 PolarHBondContact O-N 3.12Å; G298-Q301 WeakPolarHBondContact O-CB 3.37Å; G298-Q301 PolarHBondContact O-N 2.84Å; Q301-I304 PolarHBondContact O-N 3.44Å; Q301-L305 VanDerWaalsContact O-CB 3.31Å; Q301-L305 WeakPolarHBondContact O-CB 3.02Å; Q301-L305 PolarHBondContact O-N 3.49Å; Q301-F323 HydrophobicContact CB-CD1 4.15Å; Q301-F323 HydrophobicContact CB-CE1 3.49Å; Q301-F323 VanDerWaalsContact CB-CE1 3.49Å; Q301-F323 HydrophobicContact CB-CZ 3.76Å; Q301-F323 HydrophobicContact CG-CD1 3.98Å; Q301-F323 HydrophobicContact CG-CE1 3.8Å; Q301-F323 HydrophobicContact CG-CZ 4.47Å
302E97.7Very high96.2Very high137 Ų13750.9 Ų50.964%0.6427%0.266SS*.Hα-helixtrans-65-41.7179.5-72.4180179.300112.1G298 L305 K306G298-E302 WeakPolarHBondContact O-CG 3.48Å; G298-E302 PolarHBondContact O-N 3.04Å; E302-L305 PolarHBondContact O-N 3.24Å; E302-K306 WeakPolarHBondContact O-CB 3.32Å; E302-K306 PolarHBondContact O-N 3.23Å
303F98.1Very high95.9Very high36 Ų3654 Ų5416%0.15828%0.281CS..Hα-helixtrans-61.7-50176.2175.3-99.8000111.8L283 F287 E289 F290 A299 A300 L305 K306 M307L283-F303 HydrophobicContact CD2-CD1 3.65Å; L283-F303 HydrophobicContact CD2-CE1 4.25Å; L283-F303 HydrophobicContact CD2-CG 4.4Å; L283-F303 HydrophobicContact CG-CD1 4.43Å; F287-F303 HydrophobicContact CB-CE1 3.77Å; F287-F303 HydrophobicContact CB-CZ 4.06Å; F287-F303 HydrophobicContact CG-CE1 4.25Å; E289-F303 HydrophobicContact CB-CE2 4.3Å; E289-F303 HydrophobicContact CB-CZ 4.2Å; F290-F303 HydrophobicContact CB-CD1 4.17Å; F290-F303 HydrophobicContact CB-CD2 4.2Å; F290-F303 HydrophobicContact CB-CE1 3.91Å; F290-F303 HydrophobicContact CB-CE2 3.97Å; F290-F303 HydrophobicContact CB-CG 4.29Å; F290-F303 HydrophobicContact CB-CZ 3.81Å; F290-F303 HydrophobicContact CD2-CB 3.57Å; F290-F303 AromaticContact CD2-CD1 3.92Å; F290-F303 HydrophobicContact CD2-CD1 3.92Å; F290-F303 AromaticContact CD2-CD2 3.7Å; F290-F303 HydrophobicContact CD2-CD2 3.7Å; F290-F303 HydrophobicContact CD2-CE1 4.49Å; F290-F303 HydrophobicContact CD2-CE2 4.33Å; F290-F303 AromaticContact CD2-CG 3.45Å; F290-F303 HydrophobicContact CD2-CG 3.45Å; F290-F303 VanDerWaalsContact CD2-CG 3.45Å; F290-F303 HydrophobicContact CE2-CB 3.82Å; F290-F303 HydrophobicContact CE2-CG 4.22Å; F290-F303 HydrophobicContact CG-CD1 4.39Å; F290-F303 HydrophobicContact CG-CD2 4.45Å; F290-F303 HydrophobicContact CG-CG 4.28Å; A299-F303 WeakPolarHBondContact O-CB 3.44Å; A299-F303 PolarHBondContact O-N 3Å; A300-F303 PolarHBondContact O-N 3.46Å; F303-L305 VanDerWaalsContact C-N 3.33Å; F303-L305 PolarHBondContact O-N 2.67Å; F303-K306 WeakPolarHBondContact O-CB 3.04Å; F303-K306 PolarHBondContact O-N 2.84Å; F303-K306 VanDerWaalsContact O-N 3.16Å; F303-M307 HydrophobicContact CD1-CG 4.27Å; F303-M307 HydrophobicContact CD1-SD 3.63Å; F303-M307 HydrophobicContact CE1-CG 3.97Å; F303-M307 HydrophobicContact CE1-SD 3.21Å; F303-M307 WeakPolarHBondContact CE1-SD 3.32Å; F303-M307 HydrophobicContact CZ-CG 4.13Å; F303-M307 HydrophobicContact CZ-SD 3.88Å; F303-M307 WeakPolarHBondContact O-CG 3.4Å; F303-M307 PolarHBondContact O-N 2.88Å
304I98.1Very high95.5Very high0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-62-44.6179.1-64.7162.6000109.8L227 M243 L268 L283 A300 Q301 K306 M307 Y308L227-I304 HydrophobicContact CD2-CB 4.02Å; L227-I304 HydrophobicContact CD2-CD1 3.77Å; L227-I304 HydrophobicContact CD2-CG2 3.74Å; M243-I304 HydrophobicContact CE-CD1 3.86Å; M243-I304 HydrophobicContact CE-CG1 4.3Å; M243-I304 HydrophobicContact CE-CG2 4.11Å; M243-I304 HydrophobicContact SD-CD1 4.21Å; M243-I304 HydrophobicContact SD-CG1 4.03Å; M243-I304 HydrophobicContact SD-CG2 4Å; L268-I304 HydrophobicContact CD2-CG2 4.1Å; L283-I304 HydrophobicContact CD1-CD1 4.39Å; L283-I304 HydrophobicContact CD2-CG1 4.39Å; A300-I304 VanDerWaalsContact O-CG1 3.3Å; A300-I304 WeakPolarHBondContact O-CG1 3.21Å; A300-I304 PolarHBondContact O-N 2.91Å; Q301-I304 PolarHBondContact O-N 3.44Å; I304-K306 VanDerWaalsContact C-N 3.29Å; I304-K306 PolarHBondContact O-N 2.91Å; I304-M307 WeakPolarHBondContact O-CB 3.31Å; I304-M307 PolarHBondContact O-N 3.33Å; I304-M307 VanDerWaalsContact O-N 3.15Å; I304-Y308 HydrophobicContact CG2-CD2 4.08Å; I304-Y308 HydrophobicContact CG2-CE2 3.9Å; I304-Y308 WeakPolarHBondContact O-CD2 3.2Å; I304-Y308 PolarHBondContact O-N 3.11Å
305L97.8Very high94.9Very high23 Ų2355 Ų5512%0.1228%0.279CS..Hα-helixtrans-53.7-47.3174.7171.459.4000111.8L266 L268 Q301 E302 F303 M307 Y308 Q309 F323L266-L305 HydrophobicContact CD2-CD1 4.03Å; L268-L305 HydrophobicContact CD1-CD1 3.77Å; L268-L305 HydrophobicContact CD2-CB 4.02Å; Q301-L305 VanDerWaalsContact O-CB 3.31Å; Q301-L305 WeakPolarHBondContact O-CB 3.02Å; Q301-L305 PolarHBondContact O-N 3.49Å; E302-L305 PolarHBondContact O-N 3.24Å; F303-L305 VanDerWaalsContact C-N 3.33Å; F303-L305 PolarHBondContact O-N 2.67Å; L305-M307 PolarHBondContact O-N 3.01Å; L305-Y308 PolarHBondContact O-N 3.27Å; L305-Q309 HydrophobicContact CD1-CG 3.95Å; L305-Q309 HydrophobicContact CG-CG 4.36Å; L305-Q309 WeakPolarHBondContact O-CG 3.31Å; L305-Q309 PolarHBondContact O-N 2.61Å; L305-F323 HydrophobicContact CB-CZ 4.16Å; L305-F323 HydrophobicContact CD2-CE2 4.33Å; L305-F323 HydrophobicContact CD2-CZ 3.97Å
306K96.8Very high94.3Very high121 Ų12157 Ų5753%0.52629%0.294SS..Hα-helixtrans-60.1-43.6178.6-174.6179.2174.2-173.90111.9E302 F303 I304 Y308 Q309 E310E302-K306 WeakPolarHBondContact O-CB 3.32Å; E302-K306 PolarHBondContact O-N 3.23Å; F303-K306 WeakPolarHBondContact O-CB 3.04Å; F303-K306 PolarHBondContact O-N 2.84Å; F303-K306 VanDerWaalsContact O-N 3.16Å; I304-K306 VanDerWaalsContact C-N 3.29Å; I304-K306 PolarHBondContact O-N 2.91Å; K306-Y308 PolarHBondContact O-N 3.1Å; K306-Q309 PolarHBondContact O-N 3.17Å; K306-Q309 VanDerWaalsContact O-N 3.16Å; K306-E310 WeakPolarHBondContact CE-OE1 3.39Å; K306-E310 HydrophobicContact CG-CG 4.36Å; K306-E310 WeakPolarHBondContact O-CB 3.41Å; K306-E310 VanDerWaalsContact O-CG 3.31Å; K306-E310 WeakPolarHBondContact O-CG 3.19Å; K306-E310 PolarHBondContact O-N 3.1Å
307M96.7Very high93.6Very high14 Ų1455.2 Ų55.27%0.06928%0.282CS..Hα-helixtrans-55.2-39.8177.4-67.2166.56300112.7K247 F287 F303 I304 L305 Q311K247-M307 HydrophobicContact CD-CB 4.46Å; K247-M307 HydrophobicContact CD-CE 4.08Å; F287-M307 HydrophobicContact CD1-CE 3.51Å; F287-M307 HydrophobicContact CD1-SD 4.25Å; F287-M307 HydrophobicContact CE1-CE 3.36Å; F287-M307 HydrophobicContact CG-CE 4.36Å; F287-M307 HydrophobicContact CZ-CE 4.14Å; F303-M307 HydrophobicContact CD1-CG 4.27Å; F303-M307 HydrophobicContact CD1-SD 3.63Å; F303-M307 HydrophobicContact CE1-CG 3.97Å; F303-M307 HydrophobicContact CE1-SD 3.21Å; F303-M307 WeakPolarHBondContact CE1-SD 3.32Å; F303-M307 HydrophobicContact CZ-CG 4.13Å; F303-M307 HydrophobicContact CZ-SD 3.88Å; F303-M307 WeakPolarHBondContact O-CG 3.4Å; F303-M307 PolarHBondContact O-N 2.88Å; I304-M307 WeakPolarHBondContact O-CB 3.31Å; I304-M307 PolarHBondContact O-N 3.33Å; I304-M307 VanDerWaalsContact O-N 3.15Å; L305-M307 PolarHBondContact O-N 3.01Å; M307-Q311 WeakPolarHBondContact O-CG 3.44Å; M307-Q311 PolarHBondContact O-NE2 2.97Å
308Y96.9Very high92.7Very high0 Ų060.6 Ų60.60%030%0.303CS..Hα-helixtrans-75.8-42.8177.4-78.9-97.7000111.8F223 V225 M243 S246 K247 F250 L266 I304 L305 K306 E310 Q311F223-Y308 HydrophobicContact CE1-CE1 4.16Å; V225-Y308 HydrophobicContact CB-CE1 4.45Å; V225-Y308 HydrophobicContact CG1-CE1 4.29Å; V225-Y308 HydrophobicContact CG1-CE2 3.66Å; V225-Y308 WeakPolarHBondContact CG1-OH 3.39Å; V225-Y308 HydrophobicContact CG2-CD1 3.79Å; V225-Y308 HydrophobicContact CG2-CD2 4.43Å; V225-Y308 HydrophobicContact CG2-CE1 3.33Å; V225-Y308 HydrophobicContact CG2-CE2 4.06Å; V225-Y308 HydrophobicContact CG2-CG 4.33Å; V225-Y308 VanDerWaalsContact CG2-CZ 3.49Å; M243-Y308 PolarHBondContact O-OH 2.85Å; S246-Y308 WeakPolarHBondContact CB-OH 3.4Å; S246-Y308 PolarHBondContact OG-OH 2.87Å; K247-Y308 HydrophobicContact CB-CE1 4.46Å; K247-Y308 PolarHBondContact N-OH 2.79Å; F250-Y308 HydrophobicContact CB-CD1 3.85Å; F250-Y308 HydrophobicContact CB-CE1 3.93Å; F250-Y308 AromaticContact CD1-CD1 3.73Å; F250-Y308 HydrophobicContact CD1-CD1 3.73Å; F250-Y308 HydrophobicContact CD2-CD1 4.47Å; F250-Y308 HydrophobicContact CE1-CD1 4.42Å; F250-Y308 VanDerWaalsContact CE1-O 3.28Å; F250-Y308 WeakPolarHBondContact CE1-O 3.2Å; F250-Y308 AromaticContact CG-CD1 3.75Å; F250-Y308 HydrophobicContact CG-CD1 3.75Å; F250-Y308 HydrophobicContact CG-CE1 4.31Å; L266-Y308 HydrophobicContact CD1-CD1 4.23Å; L266-Y308 HydrophobicContact CD2-CG 4.25Å; I304-Y308 HydrophobicContact CG2-CD2 4.08Å; I304-Y308 HydrophobicContact CG2-CE2 3.9Å; I304-Y308 WeakPolarHBondContact O-CD2 3.2Å; I304-Y308 PolarHBondContact O-N 3.11Å; L305-Y308 PolarHBondContact O-N 3.27Å; K306-Y308 PolarHBondContact O-N 3.1Å; Y308-E310 PolarHBondContact O-N 2.94Å; Y308-Q311 WeakPolarHBondContact O-CB 3.32Å; Y308-Q311 PolarHBondContact O-N 2.95Å
309Q95Very high92.3Very high75 Ų7560.8 Ų60.835%0.3530%0.297SS..Hα-helixtrans-60.2-32.9177-72.8178.2-19.400112.8L305 K306 Q311 N312L305-Q309 HydrophobicContact CD1-CG 3.95Å; L305-Q309 HydrophobicContact CG-CG 4.36Å; L305-Q309 WeakPolarHBondContact O-CG 3.31Å; L305-Q309 PolarHBondContact O-N 2.61Å; K306-Q309 PolarHBondContact O-N 3.17Å; K306-Q309 VanDerWaalsContact O-N 3.16Å; Q309-Q311 PolarHBondContact O-N 3.06Å; Q309-N312 WeakPolarHBondContact O-CB 3.29Å; Q309-N312 PolarHBondContact O-N 3.21Å
310E94.8Very high92Very high115 Ų11563.4 Ų63.454%0.53730%0.304SS..THydrogen-bonded Turntrans-66.6-23175.2-75.1174.4173.600113.1K306 Y308 N312K306-E310 WeakPolarHBondContact CE-OE1 3.39Å; K306-E310 HydrophobicContact CG-CG 4.36Å; K306-E310 WeakPolarHBondContact O-CB 3.41Å; K306-E310 VanDerWaalsContact O-CG 3.31Å; K306-E310 WeakPolarHBondContact O-CG 3.19Å; K306-E310 PolarHBondContact O-N 3.1Å; Y308-E310 PolarHBondContact O-N 2.94Å; E310-N312 PolarHBondContact O-N 2.88Å
311Q94.9Very high91.9Very high36 Ų3665.2 Ų65.217%0.16832%0.316CS..THydrogen-bonded Turntrans-72.5-12.6175.5-53.5-46-58.300113.1K247 F250 K251 M307 Y308 Q309 P313K247-Q311 HydrophobicContact CG-CG 3.8Å; F250-Q311 HydrophobicContact CD1-CB 3.9Å; F250-Q311 HydrophobicContact CD1-CG 4.28Å; F250-Q311 HydrophobicContact CE1-CB 4.2Å; K251-Q311 HydrophobicContact CB-CB 4.17Å; K251-Q311 HydrophobicContact CB-CG 4.42Å; K251-Q311 HydrophobicContact CG-CB 4.49Å; M307-Q311 WeakPolarHBondContact O-CG 3.44Å; M307-Q311 PolarHBondContact O-NE2 2.97Å; Y308-Q311 WeakPolarHBondContact O-CB 3.32Å; Y308-Q311 PolarHBondContact O-N 2.95Å; Q309-Q311 PolarHBondContact O-N 3.06Å; Q311-P313 WeakPolarHBondContact O-CD 3.49Å
312N92.1Very high91.8Very high11 Ų1165.9 Ų65.96%0.05932%0.319CS..  trans-78.3110.3178.3-175.112.3000111.5I254 Q309 E310 N314 K315 K317 L319I254-N312 HydrophobicContact CD1-CB 3.55Å; I254-N312 VanDerWaalsContact CD1-CG 3.49Å; I254-N312 WeakPolarHBondContact CD1-OD1 3.39Å; Q309-N312 WeakPolarHBondContact O-CB 3.29Å; Q309-N312 PolarHBondContact O-N 3.21Å; E310-N312 PolarHBondContact O-N 2.88Å; N312-N314 VanDerWaalsContact C-N 3.34Å; N312-N314 VanDerWaalsContact CG-O 3.27Å; N312-N314 PolarHBondContact ND2-O 2.82Å; N312-N314 PolarHBondContact OD1-N 3.34Å; N312-N314 PolarHBondContact OD1-O 3.2Å; N312-K315 PolarHBondContact O-NZ 2.88Å; N312-K317 PolarHBondContact ND2-O 2.79Å; N312-L319 HydrophobicContact CB-CD1 3.78Å
313P87.7Confident91.8Very high94 Ų9462.6 Ų62.661%0.6130%0.303SS*.SBendtrans-75.5-24.217833.8-36.8000112.4T255 Q311T255-P313 HydrophobicContact CG2-CG 4.03Å; Q311-P313 WeakPolarHBondContact O-CD 3.49Å
314N87.3Confident91.7Very high73 Ų7361 Ų6139%0.3930%0.296SS..  trans-105.599.6-177.2-177.6-6000110.3N312 D316 K317N312-N314 VanDerWaalsContact C-N 3.34Å; N312-N314 VanDerWaalsContact CG-O 3.27Å; N312-N314 PolarHBondContact ND2-O 2.82Å; N312-N314 PolarHBondContact OD1-N 3.34Å; N312-N314 PolarHBondContact OD1-O 3.2Å; N314-D316 PolarHBondContact O-N 3.39Å; N314-D316 VanDerWaalsContact OD1-CB 3.32Å; N314-D316 WeakPolarHBondContact OD1-CB 3.44Å; N314-D316 PolarHBondContact OD1-N 2.84Å; N314-K317 HydrophobicContact CB-CB 4.19Å; N314-K317 WeakPolarHBondContact O-CB 3.44Å; N314-K317 PolarHBondContact O-N 3.19Å; N314-K317 VanDerWaalsContact O-N 3.11Å; N314-K317 PolarHBondContact OD1-N 2.96Å
315K81.6Confident91.7Very high147 Ų14761.5 Ų61.564%0.63930%0.3SS*.THydrogen-bonded Turntrans-68.9-17.5-179.7-58.9-53.8-175.4-160.40113.8N312 K317N312-K315 PolarHBondContact O-NZ 2.88Å; K315-K317 VanDerWaalsContact C-N 3.31Å
316D81.6Confident91.5Very high147 Ų14760.7 Ų60.779%0.78630%0.296SS*.THydrogen-bonded Turntrans-74.6-27.1173.6-58.5-38.3000111.6N314 K318N314-D316 PolarHBondContact O-N 3.39Å; N314-D316 VanDerWaalsContact OD1-CB 3.32Å; N314-D316 WeakPolarHBondContact OD1-CB 3.44Å; N314-D316 PolarHBondContact OD1-N 2.84Å; D316-K318 PolarHBondContact O-N 3.49Å; D316-K318 VanDerWaalsContact O-N 3.13Å
317K81.7Confident91.4Very high27 Ų2756.1 Ų56.112%0.11728%0.279CS..SBendtrans-77.298.7172.7-171.3170.6-177172.40109.6F259 S262 N312 N314 K315 L319F259-K317 PolarHBondContact O-NZ 3.47Å; S262-K317 WeakPolarHBondContact O-CE 3.33Å; S262-K317 PolarHBondContact O-NZ 3.14Å; N312-K317 PolarHBondContact ND2-O 2.79Å; N314-K317 HydrophobicContact CB-CB 4.19Å; N314-K317 WeakPolarHBondContact O-CB 3.44Å; N314-K317 PolarHBondContact O-N 3.19Å; N314-K317 VanDerWaalsContact O-N 3.11Å; N314-K317 PolarHBondContact OD1-N 2.96Å; K315-K317 VanDerWaalsContact C-N 3.31Å; K317-L319 PolarHBondContact O-N 2.92Å
318K77.8Confident91.4Very high146 Ų14659 Ų5964%0.63529%0.294SS*.  trans-63.2132.5177.9-68.2-173.9179.7-179.10111.2D316 Y320D316-K318 PolarHBondContact O-N 3.49Å; D316-K318 VanDerWaalsContact O-N 3.13Å; K318-Y320 HydrophobicContact CB-CE2 4.11Å
319L88.8Confident91.4Very high31 Ų3160.3 Ų60.316%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-100123.6169.9-73.1179.8000109.4F250 I254 V264 N312 K317F250-L319 HydrophobicContact CE1-CD1 4.39Å; F250-L319 HydrophobicContact CZ-CD1 4.07Å; F250-L319 HydrophobicContact CZ-CD2 4.07Å; I254-L319 HydrophobicContact CD1-CD1 4.02Å; I254-L319 HydrophobicContact CD1-CD2 3.73Å; I254-L319 HydrophobicContact CD1-CG 4.21Å; V264-L319 HydrophobicContact CB-CD2 3.65Å; V264-L319 HydrophobicContact CG1-CD2 3.52Å; N312-L319 HydrophobicContact CB-CD1 3.78Å; K317-L319 PolarHBondContact O-N 2.92Å
320Y91.2Very high91.4Very high73 Ų7362 Ų6229%0.28631%0.31SS..EExtended strand (participates in β ladder)trans-99.3108.3176.7-58.1-83.6000109V264 I265 L266 K318 T342V264-Y320 PolarHBondContact O-N 2.79Å; I265-Y320 CarbonylContact C-O 3.52Å; I265-Y320 VanDerWaalsContact CA-O 3.26Å; I265-Y320 WeakPolarHBondContact CA-O 3.18Å; I265-Y320 WeakPolarHBondContact CG2-O 3.49Å; L266-Y320 PolarHBondContact N-O 2.97Å; K318-Y320 HydrophobicContact CB-CE2 4.11Å; Y320-T342 HydrophobicContact CD1-CG2 3.6Å; Y320-T342 HydrophobicContact CD2-CG2 3.47Å; Y320-T342 VanDerWaalsContact CD2-CG2 3.47Å; Y320-T342 HydrophobicContact CE1-CG2 3.49Å; Y320-T342 VanDerWaalsContact CE1-CG2 3.49Å; Y320-T342 HydrophobicContact CE2-CG2 3.34Å; Y320-T342 HydrophobicContact CG-CG2 3.59Å
321S94.9Very high91.4Very high38 Ų3858.6 Ų58.627%0.26630%0.296SS..EExtended strand (participates in β ladder)trans-105.3136.3-175.551.50000112.2L266L266-S321 CarbonylContact O-C 3.59Å; L266-S321 VanDerWaalsContact O-CA 3.27Å; L266-S321 WeakPolarHBondContact O-CA 3.24Å
322H96.4Very high91.4Very high39 Ų3956.9 Ų56.918%0.18129%0.288CS..EExtended strand (participates in β ladder)trans-133.9137.6175.4-59.5-87.8000110.7L266 F267 L268 T324 V335L266-H322 PolarHBondContact O-N 2.87Å; F267-H322 WeakPolarHBondContact CA-O 3.26Å; F267-H322 HydrophobicContact CD1-CB 3.95Å; F267-H322 HydrophobicContact CE1-CB 4.04Å; F267-H322 AromaticContact CE1-CD2 3.89Å; L268-H322 PolarHBondContact N-O 3.32Å; H322-T324 HydrophobicContact CB-CG2 4.33Å; H322-V335 HydrophobicContact CB-CG1 3.65Å; H322-V335 HydrophobicContact CB-CG2 4.24Å
323F97.3Very high91.4Very high68 Ų6861 Ų6130%0.29830%0.302SS..EExtended strand (participates in β ladder)trans-83.6124.3168.7-65.7-69.7000109.1L227 L268 T271 Q301 L305L227-F323 HydrophobicContact CD1-CD1 4.26Å; L268-F323 HydrophobicContact CB-CD1 3.65Å; L268-F323 HydrophobicContact CB-CE1 3.93Å; L268-F323 HydrophobicContact CD1-CD1 4.32Å; L268-F323 HydrophobicContact CD1-CE1 4.11Å; L268-F323 HydrophobicContact CD2-CE1 4.05Å; L268-F323 HydrophobicContact CG-CD1 4.4Å; L268-F323 HydrophobicContact CG-CE1 4.24Å; T271-F323 HydrophobicContact CG2-CB 3.87Å; T271-F323 HydrophobicContact CG2-CD1 4.39Å; Q301-F323 HydrophobicContact CB-CD1 4.15Å; Q301-F323 HydrophobicContact CB-CE1 3.49Å; Q301-F323 VanDerWaalsContact CB-CE1 3.49Å; Q301-F323 HydrophobicContact CB-CZ 3.76Å; Q301-F323 HydrophobicContact CG-CD1 3.98Å; Q301-F323 HydrophobicContact CG-CE1 3.8Å; Q301-F323 HydrophobicContact CG-CZ 4.47Å; L305-F323 HydrophobicContact CB-CZ 4.16Å; L305-F323 HydrophobicContact CD2-CE2 4.33Å; L305-F323 HydrophobicContact CD2-CZ 3.97Å
324T97.3Very high91.5Very high2 Ų264 Ų641%0.01231%0.306CS..  trans-126.4151.7-172.254.70000112.9F267 L268 N269 K270 T271 H322 N331 I332 V335F267-T324 HydrophobicContact CB-CG2 4.34Å; F267-T324 HydrophobicContact CD1-CG2 4.1Å; F267-T324 HydrophobicContact CD2-CG2 4.33Å; F267-T324 HydrophobicContact CE1-CG2 4.47Å; F267-T324 HydrophobicContact CG-CG2 4.01Å; L268-T324 PolarHBondContact O-N 3.39Å; N269-T324 CarbonylContact C-O 3.31Å; N269-T324 WeakPolarHBondContact CA-O 3.47Å; N269-T324 VanDerWaalsContact CA-OG1 3.27Å; N269-T324 WeakPolarHBondContact CA-OG1 3.01Å; N269-T324 WeakPolarHBondContact CB-OG1 3.38Å; N269-T324 PolarHBondContact OD1-O 3.12Å; K270-T324 PolarHBondContact N-O 2.79Å; T271-T324 WeakPolarHBondContact CG2-O 3.42Å; T271-T324 PolarHBondContact N-O 3.4Å; T271-T324 PolarHBondContact OG1-O 2.88Å; H322-T324 HydrophobicContact CB-CG2 4.33Å; T324-N331 VanDerWaalsContact CA-OD1 3.28Å; T324-N331 WeakPolarHBondContact CA-OD1 3.16Å; T324-I332 HydrophobicContact CG2-CD1 4.08Å; T324-V335 HydrophobicContact CG2-CB 4.32Å; T324-V335 HydrophobicContact CG2-CG1 3.86Å; T324-V335 HydrophobicContact CG2-CG2 4.08Å
325C96.7Very high91.6Very high12 Ų1260.8 Ų60.88%0.08129%0.289CS..  trans-124.298.8163.1-179.10000106.3D272 T327 D328 N331D272-C325 PolarHBondContact OD1-SG 2.72Å; C325-T327 PolarHBondContact O-N 2.91Å; C325-T327 VanDerWaalsContact O-N 3.09Å; C325-T327 PolarHBondContact SG-OG1 3.41Å; C325-D328 HydrophobicContact CB-CB 3.96Å; C325-D328 PolarHBondContact O-N 3.22Å; C325-N331 PolarHBondContact N-OD1 2.84Å
326A94.8Very high92Very high6 Ų653.8 Ų53.85%0.0526%0.259CS..THydrogen-bonded Turntrans-63.9-16.3-173.100000113.9T49 Q53 N269T49-A326 HydrophobicContact CG2-CB 3.73Å; T49-A326 WeakPolarHBondContact CG2-O 3.36Å; Q53-A326 VanDerWaalsContact CG-O 3.28Å; Q53-A326 WeakPolarHBondContact CG-O 3.28Å; Q53-A326 PolarHBondContact NE2-O 3.26Å; N269-A326 WeakPolarHBondContact OD1-CB 3.35Å; N269-A326 PolarHBondContact OD1-N 3.18Å
327T94.8Very high92.2Very high25 Ų2550.3 Ų50.315%0.15324%0.242CC..THydrogen-bonded Turntrans-86-11.8173.247.70000113Q172 R176 C325Q172-T327 PolarHBondContact NE2-O 3.39Å; R176-T327 HydrophobicContact CG-CG2 4.02Å; C325-T327 PolarHBondContact O-N 2.91Å; C325-T327 VanDerWaalsContact O-N 3.09Å; C325-T327 PolarHBondContact SG-OG1 3.41Å
328D96.8Very high92.3Very high74 Ų7450.5 Ų50.540%0.39625%0.249SC..  trans-95.7106.8174.3-179.3-14.2000110.4C325 E330 N331 I332C325-D328 HydrophobicContact CB-CB 3.96Å; C325-D328 PolarHBondContact O-N 3.22Å; D328-E330 VanDerWaalsContact C-N 3.34Å; D328-E330 PolarHBondContact O-N 2.91Å; D328-E330 PolarHBondContact OD1-N 3.43Å; D328-N331 HydrophobicContact CB-CB 3.81Å; D328-N331 PolarHBondContact O-N 2.95Å; D328-N331 PolarHBondContact OD1-N 2.86Å; D328-I332 WeakPolarHBondContact O-CG1 3.33Å; D328-I332 PolarHBondContact O-N 3.21Å; D328-I332 VanDerWaalsContact O-N 3.08Å
329T95.7Very high92.7Very high28 Ų2843.6 Ų43.617%0.17222%0.219CC..Hα-helixtrans-63.5-35.6-177.8-61.30000112.9Q53 I56 I57 I332 R333Q53-T329 PolarHBondContact NE2-OG1 2.84Å; Q53-T329 PolarHBondContact OE1-OG1 3.39Å; I56-T329 HydrophobicContact CG2-CG2 4.21Å; I57-T329 HydrophobicContact CD1-CG2 4.14Å; I57-T329 HydrophobicContact CG1-CG2 3.87Å; T329-I332 PolarHBondContact O-N 2.97Å; T329-R333 WeakPolarHBondContact O-CB 3.42Å; T329-R333 PolarHBondContact O-N 2.96Å
330E94.8Very high92.6Very high110 Ų11043.6 Ų43.651%0.51422%0.218SC..Hα-helixtrans-77.6-36.6-178.6-69.7-55.5118.500111.4D328 I332 R333 F334D328-E330 VanDerWaalsContact C-N 3.34Å; D328-E330 PolarHBondContact O-N 2.91Å; D328-E330 PolarHBondContact OD1-N 3.43Å; E330-I332 VanDerWaalsContact C-N 3.34Å; E330-I332 PolarHBondContact O-N 2.9Å; E330-R333 PolarHBondContact O-N 3.19Å; E330-R333 IonicContact OE1-CZ 3.62Å; E330-R333 IonicContact OE1-NE 3.23Å; E330-R333 PolarHBondContact OE1-NE 3.04Å; E330-R333 IonicContact OE1-NH2 3.25Å; E330-R333 PolarHBondContact OE1-NH2 3.26Å; E330-R333 VanDerWaalsContact OE1-NH2 3.11Å; E330-R333 IonicContact OE2-NE 3.08Å; E330-R333 PolarHBondContact OE2-NE 3.1Å; E330-F334 PolarHBondContact O-N 3.24Å
331N94.6Very high92.1Very high43 Ų4344 Ų4423%0.2323%0.225CC..Hα-helixtrans-57.5-47.9169.6177.8-107.7000111.4T324 C325 D328 F334 V335T324-N331 VanDerWaalsContact CA-OD1 3.28Å; T324-N331 WeakPolarHBondContact CA-OD1 3.16Å; C325-N331 PolarHBondContact N-OD1 2.84Å; D328-N331 HydrophobicContact CB-CB 3.81Å; D328-N331 PolarHBondContact O-N 2.95Å; D328-N331 PolarHBondContact OD1-N 2.86Å; N331-F334 PolarHBondContact O-N 3.43Å; N331-V335 WeakPolarHBondContact O-CB 3.23Å; N331-V335 WeakPolarHBondContact O-CG2 3.37Å; N331-V335 PolarHBondContact O-N 3.23Å
332I95Very high91.3Very high1 Ų143.5 Ų43.51%0.00522%0.22CC..Hα-helixtrans-66.9-38.3179-67-55000112.2F50 Q53 M54 I57 T324 D328 T329 E330 F334 V335 F336F50-I332 HydrophobicContact CD2-CD1 4.05Å; F50-I332 HydrophobicContact CD2-CG2 3.97Å; F50-I332 HydrophobicContact CE2-CD1 4.3Å; F50-I332 HydrophobicContact CE2-CG2 3.73Å; Q53-I332 HydrophobicContact CB-CB 4.42Å; Q53-I332 HydrophobicContact CB-CG2 3.79Å; Q53-I332 HydrophobicContact CG-CB 4.37Å; Q53-I332 HydrophobicContact CG-CG1 4.2Å; Q53-I332 HydrophobicContact CG-CG2 4.22Å; M54-I332 HydrophobicContact CE-CG2 3.48Å; M54-I332 VanDerWaalsContact CE-CG2 3.48Å; I57-I332 HydrophobicContact CD1-CB 4.31Å; I57-I332 HydrophobicContact CD1-CG2 3.86Å; T324-I332 HydrophobicContact CG2-CD1 4.08Å; D328-I332 WeakPolarHBondContact O-CG1 3.33Å; D328-I332 PolarHBondContact O-N 3.21Å; D328-I332 VanDerWaalsContact O-N 3.08Å; T329-I332 PolarHBondContact O-N 2.97Å; E330-I332 VanDerWaalsContact C-N 3.34Å; E330-I332 PolarHBondContact O-N 2.9Å; I332-F334 PolarHBondContact O-N 2.91Å; I332-V335 PolarHBondContact O-N 3.01Å; I332-F336 VanDerWaalsContact O-CB 3.28Å; I332-F336 WeakPolarHBondContact O-CB 3.37Å; I332-F336 PolarHBondContact O-N 3.45Å
333R92.6Very high90.6Very high97 Ų9741.6 Ų41.637%0.36621%0.212SC..Hα-helixtrans-56.9-49.4174-173.5-169.7-57-75.8-4111I57 T329 E330 F336 V337I57-R333 HydrophobicContact CD1-CB 4.16Å; I57-R333 HydrophobicContact CG2-CG 4.26Å; T329-R333 WeakPolarHBondContact O-CB 3.42Å; T329-R333 PolarHBondContact O-N 2.96Å; E330-R333 PolarHBondContact O-N 3.19Å; E330-R333 IonicContact OE1-CZ 3.62Å; E330-R333 IonicContact OE1-NE 3.23Å; E330-R333 PolarHBondContact OE1-NE 3.04Å; E330-R333 IonicContact OE1-NH2 3.25Å; E330-R333 PolarHBondContact OE1-NH2 3.26Å; E330-R333 VanDerWaalsContact OE1-NH2 3.11Å; E330-R333 IonicContact OE2-NE 3.08Å; E330-R333 PolarHBondContact OE2-NE 3.1Å; R333-F336 PolarHBondContact O-N 3.5Å; R333-V337 WeakPolarHBondContact O-CG2 3.47Å; R333-V337 PolarHBondContact O-N 2.95Å
334F89.8Confident89.8Confident156 Ų15640.1 Ų40.168%0.68421%0.207SC*.Hα-helixtrans-64.9-46.1-179.8-178.2-95.1000112.3E330 N331 I332 F336 V337 A338E330-F334 PolarHBondContact O-N 3.24Å; N331-F334 PolarHBondContact O-N 3.43Å; I332-F334 PolarHBondContact O-N 2.91Å; F334-F336 VanDerWaalsContact C-N 3.32Å; F334-F336 PolarHBondContact O-N 3.4Å; F334-V337 PolarHBondContact O-N 2.84Å; F334-A338 PolarHBondContact O-N 3.01Å
335V90.6Very high88.7Confident6 Ų644.6 Ų44.64%0.03623%0.234CC..Hα-helixtrans-63.7-40.1179.4169.10000111.1F267 H322 T324 N331 I332 V337 A338 V339F267-V335 HydrophobicContact CD1-CG1 4.28Å; F267-V335 HydrophobicContact CE1-CG1 3.45Å; F267-V335 VanDerWaalsContact CE1-CG1 3.45Å; F267-V335 HydrophobicContact CZ-CG1 3.63Å; H322-V335 HydrophobicContact CB-CG1 3.65Å; H322-V335 HydrophobicContact CB-CG2 4.24Å; T324-V335 HydrophobicContact CG2-CB 4.32Å; T324-V335 HydrophobicContact CG2-CG1 3.86Å; T324-V335 HydrophobicContact CG2-CG2 4.08Å; N331-V335 WeakPolarHBondContact O-CB 3.23Å; N331-V335 WeakPolarHBondContact O-CG2 3.37Å; N331-V335 PolarHBondContact O-N 3.23Å; I332-V335 PolarHBondContact O-N 3.01Å; V335-V337 VanDerWaalsContact C-N 3.33Å; V335-V337 PolarHBondContact O-N 3.28Å; V335-A338 PolarHBondContact O-N 3.02Å; V335-V339 HydrophobicContact CG1-CG2 4.38Å; V335-V339 WeakPolarHBondContact O-CG2 3.43Å; V335-V339 PolarHBondContact O-N 3.2Å
336F87.9Confident87.4Confident1 Ų146.7 Ų46.70%0.00425%0.252CS..Hα-helixtrans-67.7-33.6-179.6-165.7-109000112.8L37 F50 M54 H58 F189 M191 M198 I332 R333 F334 V339 K340L37-F336 HydrophobicContact CD1-CE2 4.3Å; L37-F336 HydrophobicContact CD1-CZ 4.43Å; F50-F336 AromaticContact CZ-CD2 3.78Å; F50-F336 HydrophobicContact CZ-CD2 3.78Å; F50-F336 HydrophobicContact CZ-CE2 4.26Å; M54-F336 HydrophobicContact CE-CB 4.2Å; M54-F336 HydrophobicContact CE-CD2 4.3Å; M54-F336 HydrophobicContact CE-CG 4.07Å; M54-F336 HydrophobicContact SD-CD1 3.98Å; M54-F336 HydrophobicContact SD-CD2 3.9Å; M54-F336 HydrophobicContact SD-CE1 4.06Å; M54-F336 HydrophobicContact SD-CE2 3.99Å; M54-F336 HydrophobicContact SD-CG 3.89Å; M54-F336 HydrophobicContact SD-CZ 4.07Å; H58-F336 AromaticContact CD2-CD1 3.89Å; H58-F336 AromaticContact CD2-CE1 3.99Å; H58-F336 AromaticContact NE2-CD1 3.35Å; H58-F336 WeakPolarHBondContact NE2-CD1 3.31Å; H58-F336 AromaticContact NE2-CE1 3.81Å; F189-F336 HydrophobicContact CE2-CE1 4.24Å; F189-F336 HydrophobicContact CE2-CZ 4.35Å; F189-F336 HydrophobicContact CZ-CE1 4.09Å; F189-F336 AromaticContact CZ-CZ 3.79Å; F189-F336 HydrophobicContact CZ-CZ 3.79Å; M191-F336 HydrophobicContact CE-CD1 4.14Å; M191-F336 HydrophobicContact CE-CE1 3.65Å; M191-F336 HydrophobicContact SD-CE1 4.2Å; M198-F336 HydrophobicContact CE-CD2 4.35Å; M198-F336 HydrophobicContact CE-CE2 3.44Å; M198-F336 VanDerWaalsContact CE-CE2 3.44Å; M198-F336 HydrophobicContact CE-CZ 3.76Å; I332-F336 VanDerWaalsContact O-CB 3.28Å; I332-F336 WeakPolarHBondContact O-CB 3.37Å; I332-F336 PolarHBondContact O-N 3.45Å; R333-F336 PolarHBondContact O-N 3.5Å; F334-F336 VanDerWaalsContact C-N 3.32Å; F334-F336 PolarHBondContact O-N 3.4Å; F336-V339 HydrophobicContact CD2-CB 4.46Å; F336-V339 HydrophobicContact CD2-CG1 4.24Å; F336-V339 HydrophobicContact CE2-CG1 4.24Å; F336-V339 PolarHBondContact O-N 2.92Å; F336-K340 WeakPolarHBondContact O-CB 3.49Å; F336-K340 PolarHBondContact O-N 3.31Å
337V87.4Confident86.2Confident73 Ų7347.6 Ų47.644%0.44226%0.256SS..Hα-helixtrans-60.3-46172.4171.40000111R333 F334 V335 V339 K340 D341R333-V337 WeakPolarHBondContact O-CG2 3.47Å; R333-V337 PolarHBondContact O-N 2.95Å; F334-V337 PolarHBondContact O-N 2.84Å; V335-V337 VanDerWaalsContact C-N 3.33Å; V335-V337 PolarHBondContact O-N 3.28Å; V337-V339 VanDerWaalsContact C-N 3.32Å; V337-V339 PolarHBondContact O-N 3.44Å; V337-K340 WeakPolarHBondContact O-CB 3.47Å; V337-K340 PolarHBondContact O-N 2.91Å; V337-D341 PolarHBondContact O-N 3.37Å; V337-D341 VanDerWaalsContact O-N 3.12Å
338A84.3Confident84.8Confident32 Ų3249.3 Ų49.326%0.26426%0.264SS..Hα-helixtrans-64.3-37.2177.300000112.7F334 V335 T342F334-A338 PolarHBondContact O-N 3.01Å; V335-A338 PolarHBondContact O-N 3.02Å; A338-T342 PolarHBondContact O-N 2.97Å; A338-T342 PolarHBondContact O-OG1 2.84Å
339V85.9Confident83Confident0 Ų054.9 Ų54.90%029%0.285CS..Hα-helixtrans-65.5-44.5174.5161.30000111.4I265 F267 V335 F336 V337 D341 T342 I343I265-V339 HydrophobicContact CD1-CB 4.2Å; I265-V339 HydrophobicContact CD1-CG1 3.42Å; I265-V339 VanDerWaalsContact CD1-CG1 3.42Å; I265-V339 HydrophobicContact CD1-CG2 4.03Å; I265-V339 HydrophobicContact CG2-CG2 3.82Å; F267-V339 HydrophobicContact CE1-CG2 3.77Å; F267-V339 HydrophobicContact CZ-CG2 3.85Å; V335-V339 HydrophobicContact CG1-CG2 4.38Å; V335-V339 WeakPolarHBondContact O-CG2 3.43Å; V335-V339 PolarHBondContact O-N 3.2Å; F336-V339 HydrophobicContact CD2-CB 4.46Å; F336-V339 HydrophobicContact CD2-CG1 4.24Å; F336-V339 HydrophobicContact CE2-CG1 4.24Å; F336-V339 PolarHBondContact O-N 2.92Å; V337-V339 VanDerWaalsContact C-N 3.32Å; V337-V339 PolarHBondContact O-N 3.44Å; V339-D341 PolarHBondContact O-N 3.08Å; V339-T342 WeakPolarHBondContact O-CB 3.28Å; V339-T342 PolarHBondContact O-N 2.89Å; V339-I343 HydrophobicContact CG1-CD1 3.41Å; V339-I343 VanDerWaalsContact CG1-CD1 3.41Å; V339-I343 HydrophobicContact CG1-CG1 4.23Å; V339-I343 VanDerWaalsContact O-CG1 3.26Å; V339-I343 WeakPolarHBondContact O-CG1 3.37Å; V339-I343 PolarHBondContact O-N 2.83Å
340K85.4Confident81.3Confident32 Ų3259.5 Ų59.514%0.13931%0.308CS..Hα-helixtrans-54.3-52.6176.3-177.5-169.679.1119.60110.6M191 E192 F196 F336 V337 T342 I343 L344M191-K340 HydrophobicContact CG-CD 4.47Å; M191-K340 HydrophobicContact SD-CD 3.35Å; M191-K340 WeakPolarHBondContact SD-CD 3.49Å; M191-K340 HydrophobicContact SD-CG 4.01Å; E192-K340 IonicContact OE1-NZ 2.67Å; E192-K340 PolarHBondContact OE1-NZ 3.12Å; F196-K340 HydrophobicContact CZ-CG 4.4Å; F336-K340 WeakPolarHBondContact O-CB 3.49Å; F336-K340 PolarHBondContact O-N 3.31Å; V337-K340 WeakPolarHBondContact O-CB 3.47Å; V337-K340 PolarHBondContact O-N 2.91Å; K340-T342 VanDerWaalsContact C-N 3.26Å; K340-T342 PolarHBondContact O-N 3.1Å; K340-I343 PolarHBondContact O-N 3.41Å; K340-L344 HydrophobicContact CD-CD1 4.25Å; K340-L344 HydrophobicContact CG-CD1 3.74Å; K340-L344 HydrophobicContact CG-CG 4.25Å; K340-L344 WeakPolarHBondContact O-CB 3.41Å; K340-L344 VanDerWaalsContact O-CG 3.31Å; K340-L344 WeakPolarHBondContact O-CG 3.41Å; K340-L344 PolarHBondContact O-N 2.94Å
341D80.8Confident79.5Confident81 Ų8157.4 Ų57.443%0.43330%0.298SS..Hα-helixtrans-62.4-37.7-177.1-68-12.8000111.5V337 V339 T345V337-D341 PolarHBondContact O-N 3.37Å; V337-D341 VanDerWaalsContact O-N 3.12Å; V339-D341 PolarHBondContact O-N 3.08Å; D341-T345 WeakPolarHBondContact O-CB 3.43Å; D341-T345 PolarHBondContact O-N 3.34Å; D341-T345 PolarHBondContact O-OG1 3.05Å
342T79Confident77.4Confident27 Ų2762.2 Ų62.217%0.16632%0.324CS..Hα-helixtrans-64.2-48.5175.5-60.30000112Y320 A338 V339 K340 A346Y320-T342 HydrophobicContact CD1-CG2 3.6Å; Y320-T342 HydrophobicContact CD2-CG2 3.47Å; Y320-T342 VanDerWaalsContact CD2-CG2 3.47Å; Y320-T342 HydrophobicContact CE1-CG2 3.49Å; Y320-T342 VanDerWaalsContact CE1-CG2 3.49Å; Y320-T342 HydrophobicContact CE2-CG2 3.34Å; Y320-T342 HydrophobicContact CG-CG2 3.59Å; A338-T342 PolarHBondContact O-N 2.97Å; A338-T342 PolarHBondContact O-OG1 2.84Å; V339-T342 WeakPolarHBondContact O-CB 3.28Å; V339-T342 PolarHBondContact O-N 2.89Å; K340-T342 VanDerWaalsContact C-N 3.26Å; K340-T342 PolarHBondContact O-N 3.1Å; T342-A346 WeakPolarHBondContact O-CB 3.41Å; T342-A346 PolarHBondContact O-N 3.34Å
343I81.6Confident75.4Confident0 Ų067.5 Ų67.50%035%0.351CS..Hα-helixtrans-65.2-47.4-179.2-66.2164.4000109.9L35 L37 F196 T219 I265 V339 K340 A346 N347L35-I343 HydrophobicContact CD1-CG2 3.83Å; L37-I343 HydrophobicContact CD1-CD1 4.29Å; L37-I343 HydrophobicContact CD2-CD1 3.66Å; F196-I343 HydrophobicContact CE1-CD1 4.5Å; T219-I343 HydrophobicContact CG2-CG2 4.19Å; I265-I343 HydrophobicContact CD1-CD1 3.96Å; I265-I343 HydrophobicContact CD1-CG1 3.98Å; V339-I343 HydrophobicContact CG1-CD1 3.41Å; V339-I343 VanDerWaalsContact CG1-CD1 3.41Å; V339-I343 HydrophobicContact CG1-CG1 4.23Å; V339-I343 VanDerWaalsContact O-CG1 3.26Å; V339-I343 WeakPolarHBondContact O-CG1 3.37Å; V339-I343 PolarHBondContact O-N 2.83Å; K340-I343 PolarHBondContact O-N 3.41Å; I343-A346 PolarHBondContact O-N 3.45Å; I343-N347 PolarHBondContact O-N 3.28Å; I343-N347 PolarHBondContact O-ND2 2.78Å
344L79.1Confident72.8Confident37 Ų3771.5 Ų71.519%0.19439%0.386CS..Hα-helixtrans-61-51.3179.6-69.3177.1000109.9L35 V194 K340 A346 N347 L348L35-L344 HydrophobicContact CD1-CD2 4.13Å; V194-L344 HydrophobicContact CG2-CD2 4.24Å; K340-L344 HydrophobicContact CD-CD1 4.25Å; K340-L344 HydrophobicContact CG-CD1 3.74Å; K340-L344 HydrophobicContact CG-CG 4.25Å; K340-L344 WeakPolarHBondContact O-CB 3.41Å; K340-L344 VanDerWaalsContact O-CG 3.31Å; K340-L344 WeakPolarHBondContact O-CG 3.41Å; K340-L344 PolarHBondContact O-N 2.94Å; L344-A346 VanDerWaalsContact C-N 3.3Å; L344-A346 PolarHBondContact O-N 3.22Å; L344-N347 CarbonylContact O-C 3.49Å; L344-N347 PolarHBondContact O-N 3.24Å; L344-L348 WeakPolarHBondContact O-CG 3.4Å; L344-L348 PolarHBondContact O-N 3.42Å
345T74.4Confident72Confident96 Ų9667.3 Ų67.359%0.58937%0.371SS*.Hα-helixtrans-57.1-41.9-179.9-56.70000112.5D341 N347 L348D341-T345 WeakPolarHBondContact O-CB 3.43Å; D341-T345 PolarHBondContact O-N 3.34Å; D341-T345 PolarHBondContact O-OG1 3.05Å; T345-N347 VanDerWaalsContact C-N 3.26Å; T345-N347 PolarHBondContact O-N 2.65Å; T345-L348 HydrophobicContact CG2-CD1 4.44Å
346A70.5Confident71Confident56 Ų5670.5 Ų70.546%0.46339%0.389SS..Hα-helixtrans-65.1-30.2178.700000112.9T342 I343 L344T342-A346 WeakPolarHBondContact O-CB 3.41Å; T342-A346 PolarHBondContact O-N 3.34Å; I343-A346 PolarHBondContact O-N 3.45Å; L344-A346 VanDerWaalsContact C-N 3.3Å; L344-A346 PolarHBondContact O-N 3.22Å
347N69.8Low70.1Confident24 Ų2474.4 Ų74.413%0.12841%0.41CS..Hα-helixtrans-106.73.1-176.2-62.8-90.8000113.8T219 I343 L344 T345 K349 D350 F351T219-N347 WeakPolarHBondContact CG2-ND2 3.33Å; I343-N347 PolarHBondContact O-N 3.28Å; I343-N347 PolarHBondContact O-ND2 2.78Å; L344-N347 CarbonylContact O-C 3.49Å; L344-N347 PolarHBondContact O-N 3.24Å; T345-N347 VanDerWaalsContact C-N 3.26Å; T345-N347 PolarHBondContact O-N 2.65Å; N347-K349 PolarHBondContact O-N 3.03Å; N347-K349 VanDerWaalsContact O-N 3.11Å; N347-D350 PolarHBondContact O-N 3.1Å; N347-F351 HydrophobicContact CB-CD2 3.77Å; N347-F351 HydrophobicContact CB-CE2 3.54Å; N347-F351 WeakPolarHBondContact O-CD2 3.47Å; N347-F351 PolarHBondContact O-N 3.03Å
348L65.8Low69.1Low61 Ų6174.5 Ų74.532%0.31941%0.408SS..THydrogen-bonded Turntrans-52.8-36.1179.2-80173.7000112.9L344 T345 L353L344-L348 WeakPolarHBondContact O-CG 3.4Å; L344-L348 PolarHBondContact O-N 3.42Å; T345-L348 HydrophobicContact CG2-CD1 4.44Å; L348-L353 HydrophobicContact CD2-CB 3.79Å; L348-L353 HydrophobicContact CD2-CD1 4.16Å; L348-L353 PolarHBondContact O-N 3.47Å
349K57.6Low68.1Low191 Ų19177.1 Ų77.183%0.8342%0.417SS*.THydrogen-bonded Turntrans-69.2-31.7178.3-70.4-174.8179.1179.70113.3N347N347-K349 PolarHBondContact O-N 3.03Å; N347-K349 VanDerWaalsContact O-N 3.11Å
350D59.9Low66.9Low125 Ų12582.3 Ų82.367%0.66845%0.445SS*.THydrogen-bonded Turntrans-83.5-20.7-176.9-69.2-20.2000112.1N347N347-D350 PolarHBondContact O-N 3.1Å
351F56.9Low65.6Low67 Ų6785.9 Ų85.929%0.29447%0.467SS..THydrogen-bonded Turntrans-101.85.7-178.5-66.7-65.6000115.1R32 L35 N347 L353R32-F351 VanDerWaalsContact O-CD1 3.24Å; R32-F351 WeakPolarHBondContact O-CD1 3.47Å; R32-F351 WeakPolarHBondContact O-CE1 3.38Å; L35-F351 HydrophobicContact CD2-CD2 4.49Å; L35-F351 HydrophobicContact CD2-CE1 4.41Å; L35-F351 HydrophobicContact CD2-CE2 3.34Å; L35-F351 HydrophobicContact CD2-CZ 3.3Å; N347-F351 HydrophobicContact CB-CD2 3.77Å; N347-F351 HydrophobicContact CB-CE2 3.54Å; N347-F351 WeakPolarHBondContact O-CD2 3.47Å; N347-F351 PolarHBondContact O-N 3.03Å; F351-L353 HydrophobicContact CB-CD1 3.91Å; F351-L353 HydrophobicContact CB-CG 4Å; F351-L353 PolarHBondContact O-N 3.26Å; F351-L353 VanDerWaalsContact O-N 3.14Å
352N51Low64.4Low144 Ų14486.2 Ų86.277%0.7747%0.47SS*.THydrogen-bonded Turntrans46.940.5-175.3-75.4-6.1000112.3V354N352-V354 PolarHBondContact O-N 3.21Å
353L52.1Low63.2Low111 Ų11191.2 Ų91.258%0.58150%0.495SS*.  trans-857.5175.1-73.1168.8000112.3L348 F351L348-L353 HydrophobicContact CD2-CB 3.79Å; L348-L353 HydrophobicContact CD2-CD1 4.16Å; L348-L353 PolarHBondContact O-N 3.47Å; F351-L353 HydrophobicContact CB-CD1 3.91Å; F351-L353 HydrophobicContact CB-CG 4Å; F351-L353 PolarHBondContact O-N 3.26Å; F351-L353 VanDerWaalsContact O-N 3.14Å
354V39.9Very low61.5Low182 Ų18299.5 Ų99.5100%1.10354%0.54SS*.  trans-136.40164-174.90000108.9N352N352-V354 PolarHBondContact O-N 3.21Å

Retrieved 354 of 354 residues in 895.9 ms (Link to these results)

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