A0A077ZLU6_TRITR Loading...

Poly(A) RNA polymerase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZLU6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 439 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
1M33.3Very low58.6Low236 Ų236105.5 Ų105.5100%1.16355%0.549SS*.  0110.90-88.3-177.2-84.100107.6G3M1-G3 PolarHBondContact O-N 3.33Å
2I35.2Very low60.4Low170 Ų170103.8 Ų103.887%0.87254%0.536SS*.  trans-70.887.1160.9-59.7170.1000103.5I4I2-I4 PolarHBondContact O-N 3.49Å
3G40.3Very low62Low51 Ų5198.8 Ų98.853%0.52652%0.515SS..  trans-54.5127.9175.200000106.6M1 L5M1-G3 PolarHBondContact O-N 3.33Å; G3-L5 PolarHBondContact O-N 3.27Å
4I44.3Very low63.2Low161 Ų161105.3 Ų105.383%0.82654%0.537SS*.  trans-41.4111.5172.7-62.7165.7000106I2 Q6I2-I4 PolarHBondContact O-N 3.49Å; I4-Q6 PolarHBondContact O-N 3.5Å
5L51.6Low64.6Low122 Ų122103.3 Ų103.364%0.63953%0.528SS*.  trans-54.1107.1177.9-91.6139.5000105.3G3 E7G3-L5 PolarHBondContact O-N 3.27Å; L5-E7 PolarHBondContact O-N 3.5Å
6Q60.5Low65.8Low129 Ų129103.2 Ų103.260%0.60354%0.538SS*.  trans-63.1108.2171.8-80.1-177.2-11.800105.4I4 I8I4-Q6 PolarHBondContact O-N 3.5Å; Q6-I8 PolarHBondContact O-N 3.18Å
7E68Low67Low138 Ų138102.4 Ų102.465%0.64554%0.538SS*.  trans-69.5122.4171.1-70.6-173.2-179.900107.9L5 H9L5-E7 PolarHBondContact O-N 3.5Å; E7-H9 IonicContact OE2-CE1 2.92Å; E7-H9 IonicContact OE2-NE2 3.05Å
8I72.6Confident67.9Low25 Ų25100.7 Ų100.713%0.12853%0.527CS..EExtended strand (participates in β ladder)trans-93.1128.4174-54.4164.2000106.9Q6 F61 F63 S199 L200Q6-I8 PolarHBondContact O-N 3.18Å; I8-F61 HydrophobicContact CB-CE2 3.99Å; I8-F61 HydrophobicContact CB-CZ 3.86Å; I8-F61 HydrophobicContact CD1-CE2 4.11Å; I8-F61 HydrophobicContact CG2-CE1 4.17Å; I8-F61 HydrophobicContact CG2-CE2 4.01Å; I8-F61 HydrophobicContact CG2-CZ 3.46Å; I8-F61 VanDerWaalsContact CG2-CZ 3.46Å; I8-F63 HydrophobicContact CD1-CD1 4.3Å; I8-F63 HydrophobicContact CD1-CE1 3.83Å; I8-F63 HydrophobicContact CD1-CZ 4.35Å; I8-S199 WeakPolarHBondContact CD1-O 3.17Å; I8-L200 HydrophobicContact CD1-CD2 4.04Å; I8-L200 HydrophobicContact CG2-CD2 4.12Å
9H77.3Confident68.8Low55 Ų5597.7 Ų97.726%0.25551%0.514SS..EExtended strand (participates in β ladder)trans-113.3121.1172.8-58.8-62.8000109.4E7 K58 L59 T60E7-H9 IonicContact OE2-CE1 2.92Å; E7-H9 IonicContact OE2-NE2 3.05Å; H9-K58 HydrophobicContact CB-CB 4.28Å; H9-L59 WeakPolarHBondContact CA-O 3.5Å; H9-T60 PolarHBondContact CE1-OG1 3.38Å; H9-T60 VanDerWaalsContact CE1-OG1 3.29Å; H9-T60 PolarHBondContact ND1-OG1 3.01Å
10L80.4Confident69.5Low24 Ų2499.4 Ų99.413%0.12652%0.517CS..EExtended strand (participates in β ladder)trans-87.4116.9164.9-171.269.9000108.2L59 F61 R100 F104L10-L59 HydrophobicContact CB-CB 4.32Å; L10-L59 HydrophobicContact CD2-CD1 4.23Å; L10-L59 PolarHBondContact N-O 3.22Å; L10-L59 PolarHBondContact O-N 2.93Å; L10-F61 HydrophobicContact CB-CE1 4.06Å; L10-R100 HydrophobicContact CD2-CB 3.78Å; L10-F104 HydrophobicContact CD1-CB 4.3Å; L10-F104 HydrophobicContact CD1-CD1 4.33Å; L10-F104 HydrophobicContact CD1-CD2 4.31Å; L10-F104 HydrophobicContact CD1-CG 4.05Å
11L81.1Confident70.2Confident49 Ų49101.8 Ų101.826%0.25752%0.519SS..EExtended strand (participates in β ladder)trans-90.9117.9177-59.7176.4000109.3L22 I56 K58L11-L22 HydrophobicContact CD1-CD2 3.88Å; L11-I56 HydrophobicContact CB-CG2 4.48Å; L11-I56 HydrophobicContact CD2-CB 4.24Å; L11-I56 HydrophobicContact CD2-CG2 3.87Å; L11-K58 HydrophobicContact CD2-CB 3.84Å
12E80.1Confident72.5Confident85 Ų8592.5 Ų92.540%0.39747%0.474SS..  trans-93.1112.3174.9-68.9-172.2174.200109.7P57 R100E12-P57 PolarHBondContact N-O 3.25Å; E12-R100 IonicContact OE1-CZ 2.78Å; E12-R100 IonicContact OE1-NE 3.24Å; E12-R100 IonicContact OE1-NH1 2.9Å; E12-R100 PolarHBondContact OE1-NH1 3.48Å; E12-R100 IonicContact OE1-NH2 3.41Å; E12-R100 PolarHBondContact OE1-NH2 3.31Å; E12-R100 IonicContact OE2-NH1 3.12Å
13C80.9Confident74.8Confident39 Ų3986 Ų8626%0.26444%0.44SS..  trans-95.3149.9174.5-64.40000110.2D15 Q18 V19C13-D15 VanDerWaalsContact C-N 3.29Å; C13-D15 PolarHBondContact O-N 2.83Å; C13-Q18 HydrophobicContact CB-CB 3.95Å; C13-V19 HydrophobicContact CB-CG2 3.57Å
14K80Confident76.8Confident190 Ų19089.7 Ų89.783%0.82644%0.444SS*.SBendtrans-67.3-31.4-178.9-62.8-175.1-179.9178.10112.9
15D83.6Confident78.3Confident75 Ų7586.5 Ų86.540%0.40143%0.426SS..SBendtrans-153.5171.4-176.157.754.4000111C13 V17 Q18C13-D15 VanDerWaalsContact C-N 3.29Å; C13-D15 PolarHBondContact O-N 2.83Å; D15-V17 VanDerWaalsContact C-N 3.27Å; D15-V17 PolarHBondContact O-N 2.72Å; D15-V17 WeakPolarHBondContact OD1-CA 3.5Å; D15-V17 WeakPolarHBondContact OD1-CB 3.43Å; D15-V17 PolarHBondContact OD1-N 3.34Å; D15-Q18 PolarHBondContact O-N 3.16Å; D15-Q18 PolarHBondContact OD1-N 3.37Å
16C83.5Confident79.5Confident102 Ų10282.6 Ų82.669%0.68941%0.407SS*.Hα-helixtrans-68-23.6178.858.10000113.6V19 K20C16-V19 PolarHBondContact O-N 3.02Å; C16-K20 PolarHBondContact O-N 3.31Å
17V86.7Confident80Confident89 Ų8983.4 Ų83.454%0.53942%0.415SS..Hα-helixtrans-69.3-40.1179.7-179.90000110.1D15 K20 R21D15-V17 VanDerWaalsContact C-N 3.27Å; D15-V17 PolarHBondContact O-N 2.72Å; D15-V17 WeakPolarHBondContact OD1-CA 3.5Å; D15-V17 WeakPolarHBondContact OD1-CB 3.43Å; D15-V17 PolarHBondContact OD1-N 3.34Å; V17-K20 PolarHBondContact O-N 3.45Å; V17-R21 WeakPolarHBondContact O-CB 3.13Å; V17-R21 PolarHBondContact O-N 3.02Å
18Q83.3Confident79.9Confident72 Ų7280.9 Ų80.934%0.33640%0.403SS..Hα-helixtrans-63.6-40.8174.1-72.9179.612.600112.5C13 D15 K20 R21 L22C13-Q18 HydrophobicContact CB-CB 3.95Å; D15-Q18 PolarHBondContact O-N 3.16Å; D15-Q18 PolarHBondContact OD1-N 3.37Å; Q18-K20 VanDerWaalsContact C-N 3.33Å; Q18-R21 PolarHBondContact O-N 3.25Å; Q18-L22 WeakPolarHBondContact O-CB 3.47Å; Q18-L22 PolarHBondContact O-N 3.21Å
19V83.7Confident79.5Confident44 Ų4487.8 Ų87.827%0.26744%0.435SS..Hα-helixtrans-60.5-46.9174.7179.90000110C13 C16 L22 L23 R40C13-V19 HydrophobicContact CB-CG2 3.57Å; C16-V19 PolarHBondContact O-N 3.02Å; V19-L22 PolarHBondContact O-N 3.35Å; V19-L23 HydrophobicContact CG1-CD1 3.98Å; V19-L23 HydrophobicContact CG1-CG 4.44Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.36Å; V19-L23 PolarHBondContact O-N 2.83Å; V19-R40 HydrophobicContact CG1-CG 4.4Å
20K84.2Confident78.8Confident132 Ų13291.9 Ų91.957%0.57445%0.452SS*.Hα-helixtrans-61.8-47.1179.4-165.4-175.6-179-167.10111.9C16 V17 Q18 L22 L23 E24C16-K20 PolarHBondContact O-N 3.31Å; V17-K20 PolarHBondContact O-N 3.45Å; Q18-K20 VanDerWaalsContact C-N 3.33Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 2.85Å; K20-L23 PolarHBondContact O-N 3.11Å; K20-L23 VanDerWaalsContact O-N 3.13Å; K20-E24 WeakPolarHBondContact CE-OE1 3.25Å; K20-E24 IonicContact NZ-OE1 3.14Å; K20-E24 WeakPolarHBondContact O-CG 3.41Å; K20-E24 PolarHBondContact O-N 3.35Å
21R83.7Confident78Confident150 Ų15097.1 Ų97.157%0.56648%0.476SS*.Hα-helixtrans-58.8-43.5176.3-174.7-175.7-64.8170.2-0.4111.7V17 Q18 L23 E24 E25V17-R21 WeakPolarHBondContact O-CB 3.13Å; V17-R21 PolarHBondContact O-N 3.02Å; Q18-R21 PolarHBondContact O-N 3.25Å; R21-L23 VanDerWaalsContact C-N 3.31Å; R21-L23 PolarHBondContact O-N 3.37Å; R21-E24 PolarHBondContact O-N 2.96Å; R21-E25 WeakPolarHBondContact O-CG 3.29Å; R21-E25 PolarHBondContact O-N 3.39Å
22L82.1Confident77.2Confident41 Ų41102.6 Ų102.622%0.21551%0.505CS..Hα-helixtrans-60.3-43.5176.4177.565.6000111L11 Q18 V19 K20 E25 V26 I42L11-L22 HydrophobicContact CD1-CD2 3.88Å; Q18-L22 WeakPolarHBondContact O-CB 3.47Å; Q18-L22 PolarHBondContact O-N 3.21Å; V19-L22 PolarHBondContact O-N 3.35Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 2.85Å; L22-E25 PolarHBondContact O-N 2.8Å; L22-V26 WeakPolarHBondContact O-CG2 3.42Å; L22-V26 PolarHBondContact O-N 2.69Å; L22-I42 HydrophobicContact CD2-CD1 4.18Å; L22-I42 HydrophobicContact CG-CD1 4.17Å
23L82.5Confident76.7Confident33 Ų33111 Ų11117%0.17353%0.533CS..Hα-helixtrans-67.1-38.3178.9-69.3172.6000112.9V19 K20 R21 E25 V26 S39 R40 I42V19-L23 HydrophobicContact CG1-CD1 3.98Å; V19-L23 HydrophobicContact CG1-CG 4.44Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.36Å; V19-L23 PolarHBondContact O-N 2.83Å; K20-L23 PolarHBondContact O-N 3.11Å; K20-L23 VanDerWaalsContact O-N 3.13Å; R21-L23 VanDerWaalsContact C-N 3.31Å; R21-L23 PolarHBondContact O-N 3.37Å; L23-E25 PolarHBondContact O-N 3.19Å; L23-V26 WeakPolarHBondContact O-CB 3.44Å; L23-V26 PolarHBondContact O-N 3.08Å; L23-V26 VanDerWaalsContact O-N 3.15Å; L23-S39 WeakPolarHBondContact CD2-O 3.49Å; L23-R40 HydrophobicContact CD1-CG 4.18Å; L23-I42 HydrophobicContact CD2-CD1 3.86Å; L23-I42 HydrophobicContact CD2-CG1 4.07Å
24E82Confident75.9Confident129 Ų129113.3 Ų113.360%0.60355%0.546SS*.Hα-helixtrans-63-25.6174.9-73.1168.718000112.6K20 R21K20-E24 WeakPolarHBondContact CE-OE1 3.25Å; K20-E24 IonicContact NZ-OE1 3.14Å; K20-E24 WeakPolarHBondContact O-CG 3.41Å; K20-E24 PolarHBondContact O-N 3.35Å; R21-E24 PolarHBondContact O-N 2.96Å
25E77.7Confident75.2Confident93 Ų93111.4 Ų111.444%0.43554%0.538SS..THydrogen-bonded Turntrans-86.5-9.5177.4-68.4175.9155.700113.5R21 L22 L23 N27 R51R21-E25 WeakPolarHBondContact O-CG 3.29Å; R21-E25 PolarHBondContact O-N 3.39Å; L22-E25 PolarHBondContact O-N 2.8Å; L23-E25 PolarHBondContact O-N 3.19Å; E25-N27 PolarHBondContact O-N 2.65Å; E25-R51 VanDerWaalsContact CD-NH1 3.3Å; E25-R51 VanDerWaalsContact CD-NH2 3.26Å; E25-R51 IonicContact OE1-CZ 3.58Å; E25-R51 IonicContact OE1-NH1 3.61Å; E25-R51 PolarHBondContact OE1-NH1 3.16Å; E25-R51 IonicContact OE1-NH2 3.97Å; E25-R51 PolarHBondContact OE1-NH2 3.34Å; E25-R51 IonicContact OE2-CZ 2.77Å; E25-R51 IonicContact OE2-NH1 3.97Å; E25-R51 PolarHBondContact OE2-NH1 2.92Å; E25-R51 IonicContact OE2-NH2 3.86Å; E25-R51 PolarHBondContact OE2-NH2 2.92Å
26V76.2Confident74.2Confident40 Ų40111.2 Ų111.224%0.24254%0.541CS..SBendtrans-71.3124.1-179.8178.60000109.6L22 L23 H28 I42L22-V26 WeakPolarHBondContact O-CG2 3.42Å; L22-V26 PolarHBondContact O-N 2.69Å; L23-V26 WeakPolarHBondContact O-CB 3.44Å; L23-V26 PolarHBondContact O-N 3.08Å; L23-V26 VanDerWaalsContact O-N 3.15Å; V26-H28 PolarHBondContact O-N 3.49Å; V26-I42 HydrophobicContact CG1-CG2 3.97Å; V26-I42 HydrophobicContact CG2-CD1 3.61Å; V26-I42 HydrophobicContact CG2-CG1 3.92Å; V26-I42 HydrophobicContact CG2-CG2 3.85Å
27N69.9Low73.5Confident146 Ų146108.6 Ų108.678%0.78152%0.517SS*.  trans-69.6123.7173.7-163.5-1.9000110.3E25E25-N27 PolarHBondContact O-N 2.65Å
28H67.3Low72.7Confident86 Ų86112 Ų11240%0.39853%0.526SS..  trans-87.8110.6176.7-63.4-73.6000110V26 F30V26-H28 PolarHBondContact O-N 3.49Å; H28-F30 HydrophobicContact CB-CD2 3.98Å; H28-F30 HydrophobicContact CB-CE1 4.12Å; H28-F30 HydrophobicContact CB-CE2 3.43Å; H28-F30 VanDerWaalsContact CB-CE2 3.43Å; H28-F30 HydrophobicContact CB-CZ 3.5Å; H28-F30 WeakPolarHBondContact O-CD2 3.49Å; H28-F30 PolarHBondContact O-N 3.25Å
29H63.1Low72.4Confident169 Ų169109.5 Ų109.578%0.78252%0.517SS*.  trans-84.487.7168.1-147.977.3000108.9Q31H29-Q31 PolarHBondContact O-N 3.45Å
30F63.2Low72.4Confident142 Ų142111.5 Ų111.562%0.62352%0.52SS*.PPolyproline II helixtrans-67.7119177.1-60.3-83.3000109.7H28 P36H28-F30 HydrophobicContact CB-CD2 3.98Å; H28-F30 HydrophobicContact CB-CE1 4.12Å; H28-F30 HydrophobicContact CB-CE2 3.43Å; H28-F30 VanDerWaalsContact CB-CE2 3.43Å; H28-F30 HydrophobicContact CB-CZ 3.5Å; H28-F30 WeakPolarHBondContact O-CD2 3.49Å; H28-F30 PolarHBondContact O-N 3.25Å; F30-P36 HydrophobicContact CD1-CB 4.13Å; F30-P36 HydrophobicContact CD1-CG 4.41Å; F30-P36 HydrophobicContact CE1-CB 3.6Å; F30-P36 HydrophobicContact CE1-CG 3.92Å
31Q63.4Low72.4Confident134 Ų134107.7 Ų107.763%0.62651%0.505SS*.PPolyproline II helixtrans-95.7145.9166.6-66.1-178.1-4.800109H29 R33 V34H29-Q31 PolarHBondContact O-N 3.45Å; Q31-R33 PolarHBondContact O-N 3.42Å; Q31-V34 HydrophobicContact CB-CG2 3.88Å; Q31-V34 PolarHBondContact O-N 3.29Å
32N64.8Low72.2Confident164 Ų164104 Ų10488%0.87750%0.496SS*.THydrogen-bonded Turntrans-56.5134.5174.3-78.8-22.9000110.1
33R68.2Low71.9Confident260 Ų260110.4 Ų110.498%0.98152%0.522SS*.THydrogen-bonded Turntrans71.821.7-179.5-49.1178.7176.7-177-1.8116.2Q31Q31-R33 PolarHBondContact O-N 3.42Å
34V64.7Low71.4Confident88 Ų88114.2 Ų114.253%0.53354%0.538SS..  trans-110130.2171.3-175.20000109.6Q31 P36Q31-V34 HydrophobicContact CB-CG2 3.88Å; Q31-V34 PolarHBondContact O-N 3.29Å; V34-P36 WeakPolarHBondContact O-CD 3.42Å
35F64.8Low70.9Confident151 Ų151111.7 Ų111.766%0.66253%0.532SS*.  trans-77.1120.1169.4-175.4-92.5000108.7W37F35-W37 PolarHBondContact O-N 3.2Å
36P63.9Low70.2Confident70 Ų70112.7 Ų112.746%0.45555%0.546SS..  trans-64.9128178.825.1-31.1000110.7F30 V34F30-P36 HydrophobicContact CD1-CB 4.13Å; F30-P36 HydrophobicContact CD1-CG 4.41Å; F30-P36 HydrophobicContact CE1-CB 3.6Å; F30-P36 HydrophobicContact CE1-CG 3.92Å; V34-P36 WeakPolarHBondContact O-CD 3.42Å
37W67.7Low69.5Low48 Ų48115.5 Ų115.518%0.18257%0.574CS.*  trans-117.7118.3179.2-177.1-68.1000108.9F35 S39 A112 R115 F175F35-W37 PolarHBondContact O-N 3.2Å; W37-S39 VanDerWaalsContact C-N 3.33Å; W37-S39 PolarHBondContact O-N 3.04Å; W37-A112 HydrophobicContact CH2-CB 3.86Å; W37-A112 HydrophobicContact CZ2-CB 4.25Å; W37-R115 VanDerWaalsContact CE2-NH2 3.3Å; W37-R115 VanDerWaalsContact CZ3-CZ 3.49Å; W37-F175 HydrophobicContact CE3-CB 4.35Å; W37-F175 HydrophobicContact CZ3-CB 3.76Å
38E70.4Confident69Low159 Ų159111.8 Ų111.874%0.74356%0.563SS**  trans-64.696.6166.5-74.1-174.4-17800108.7
39S76.3Confident68.4Low21 Ų21111.2 Ų111.215%0.14758%0.581CS.*  trans-105135.7-177.9-1720000109.1L23 W37 M41L23-S39 WeakPolarHBondContact CD2-O 3.49Å; W37-S39 VanDerWaalsContact C-N 3.33Å; W37-S39 PolarHBondContact O-N 3.04Å; S39-M41 PolarHBondContact O-N 3.32Å; S39-M41 VanDerWaalsContact O-N 3.15Å; S39-M41 WeakPolarHBondContact OG-CB 3.48Å; S39-M41 PolarHBondContact OG-N 3.47Å
40R85.5Confident67.6Low85 Ų85109.7 Ų109.732%0.32159%0.587SS.*SBendtrans-70.71.6165.8-67.3179.2-73.3140.5-0.4112.5V19 L23 F104 S107 L108 D111V19-R40 HydrophobicContact CG1-CG 4.4Å; L23-R40 HydrophobicContact CD1-CG 4.18Å; R40-F104 HydrophobicContact CB-CE2 3.88Å; R40-F104 HydrophobicContact CB-CZ 3.95Å; R40-S107 VanDerWaalsContact CZ-OG 3.31Å; R40-S107 PolarHBondContact NH1-OG 3.49Å; R40-S107 VanDerWaalsContact NH2-C 3.26Å; R40-S107 PolarHBondContact NH2-O 2.86Å; R40-S107 PolarHBondContact NH2-OG 2.81Å; R40-L108 HydrophobicContact CB-CD2 3.96Å; R40-D111 IonicContact CZ-OD2 3.01Å; R40-D111 IonicContact NE-OD2 2.96Å; R40-D111 PolarHBondContact NE-OD2 2.95Å; R40-D111 IonicContact NH2-OD1 2.68Å; R40-D111 IonicContact NH2-OD2 3.53Å; R40-D111 PolarHBondContact NH2-OD2 3.28Å
41M82.1Confident67.2Low53 Ų53111 Ų11126%0.26159%0.588SS.*  trans-99.3118.7168.6-60.5-173.265.300110.3S39 F104 L108 C178 L200S39-M41 PolarHBondContact O-N 3.32Å; S39-M41 VanDerWaalsContact O-N 3.15Å; S39-M41 WeakPolarHBondContact OG-CB 3.48Å; S39-M41 PolarHBondContact OG-N 3.47Å; M41-F104 HydrophobicContact CG-CE1 4.06Å; M41-F104 HydrophobicContact CG-CZ 4.21Å; M41-L108 HydrophobicContact CG-CD1 3.59Å; M41-L108 HydrophobicContact CG-CD2 4.46Å; M41-L108 HydrophobicContact SD-CD1 3.46Å; M41-L108 WeakPolarHBondContact SD-CD1 3.39Å; M41-C178 WeakPolarHBondContact CE-SG 3.27Å; M41-C178 HydrophobicContact SD-CB 4.33Å; M41-C178 PolarHBondContact SD-SG 2.89Å; M41-L200 HydrophobicContact CE-CD2 4.09Å; M41-L200 HydrophobicContact CE-CG 4.3Å
42I79.7Confident67Low73 Ų73109 Ų10937%0.37458%0.582SS.*  trans-119.2134-177.7-52.6163.5000107.9L22 L23 V26L22-I42 HydrophobicContact CD2-CD1 4.18Å; L22-I42 HydrophobicContact CG-CD1 4.17Å; L23-I42 HydrophobicContact CD2-CD1 3.86Å; L23-I42 HydrophobicContact CD2-CG1 4.07Å; V26-I42 HydrophobicContact CG1-CG2 3.97Å; V26-I42 HydrophobicContact CG2-CD1 3.61Å; V26-I42 HydrophobicContact CG2-CG1 3.92Å; V26-I42 HydrophobicContact CG2-CG2 3.85Å
43K76.9Confident66.7Low175 Ų175103.3 Ų103.376%0.76155%0.551SS**  trans-89121.3171.8-176.9179.6179.3-178.50109.2V45K43-V45 HydrophobicContact CG-CG2 4.46Å
44H72.8Confident66.3Low112 Ų11297.7 Ų97.752%0.51954%0.536SS..  trans-73.1128.8169.4-178.5-118000110.3
45V70.6Confident66.1Low77 Ų7798 Ų9847%0.46754%0.542SS..  trans-119.1112.8175.5-177.70000108.1K43 A47 A48K43-V45 HydrophobicContact CG-CG2 4.46Å; V45-A47 HydrophobicContact CG1-CB 4.33Å; V45-A47 PolarHBondContact O-N 2.73Å; V45-A48 PolarHBondContact O-N 3.3Å
46P63.3Low66.1Low114 Ų11493 Ų9374%0.7452%0.522SS*.THydrogen-bonded Turntrans-57.8-21.5-174.9-26.733.8000115.5A48P46-A48 VanDerWaalsContact C-N 3.33Å; P46-A48 PolarHBondContact O-N 3.11Å
47A61.1Low66Low99 Ų9994.2 Ų94.282%0.81853%0.529SS*.THydrogen-bonded Turntrans-80-7.3-176.100000114.6V45V45-A47 HydrophobicContact CG1-CB 4.33Å; V45-A47 PolarHBondContact O-N 2.73Å
48A58.3Low65.9Low67 Ų6794.6 Ų94.655%0.55453%0.532SS*.SBendtrans-89.5129.6174.800000109.5V45 P46V45-A48 PolarHBondContact O-N 3.3Å; P46-A48 VanDerWaalsContact C-N 3.33Å; P46-A48 PolarHBondContact O-N 3.11Å
49G55.3Low65.4Low75 Ų7589 Ų8977%0.77351%0.507SS*.  trans-33.7135.5-173.400000116.3R51G49-R51 PolarHBondContact O-N 2.61Å
50C47Very low64.5Low136 Ų13691.4 Ų91.492%0.91952%0.521SS*.  trans-42.390.7-177.7-155.50000114.1
51R55.2Low63.6Low170 Ų17088 Ų8864%0.64251%0.508SS*.  trans-96.4132.1142.8-79.6-164-174.6-174.49.1107.1E25 G49 L53E25-R51 VanDerWaalsContact CD-NH1 3.3Å; E25-R51 VanDerWaalsContact CD-NH2 3.26Å; E25-R51 IonicContact OE1-CZ 3.58Å; E25-R51 IonicContact OE1-NH1 3.61Å; E25-R51 PolarHBondContact OE1-NH1 3.16Å; E25-R51 IonicContact OE1-NH2 3.97Å; E25-R51 PolarHBondContact OE1-NH2 3.34Å; E25-R51 IonicContact OE2-CZ 2.77Å; E25-R51 IonicContact OE2-NH1 3.97Å; E25-R51 PolarHBondContact OE2-NH1 2.92Å; E25-R51 IonicContact OE2-NH2 3.86Å; E25-R51 PolarHBondContact OE2-NH2 2.92Å; G49-R51 PolarHBondContact O-N 2.61Å; R51-L53 VanDerWaalsContact C-N 3.25Å; R51-L53 PolarHBondContact O-N 2.77Å
52D58.2Low62.8Low91 Ų9190.2 Ų90.249%0.48753%0.527SS..  trans-68.289171.9-172.89.8000108.7H54 S55D52-H54 PolarHBondContact O-N 3.46Å; D52-H54 WeakPolarHBondContact OD1-CA 3.37Å; D52-H54 WeakPolarHBondContact OD1-CB 3.34Å; D52-H54 IonicContact OD1-CD2 2.78Å; D52-H54 PolarHBondContact OD1-CD2 3.04Å; D52-H54 IonicContact OD1-CG 3.9Å; D52-H54 VanDerWaalsContact OD1-CG 3.31Å; D52-H54 PolarHBondContact OD1-N 3.1Å; D52-S55 WeakPolarHBondContact O-CB 3.27Å; D52-S55 PolarHBondContact O-N 2.96Å; D52-S55 PolarHBondContact O-OG 3.36Å; D52-S55 VanDerWaalsContact O-OG 3.07Å
53L58.2Low62.4Low46 Ų4689.4 Ų89.424%0.24152%0.521CS..G310 helixtrans-58.8-15.2172.7-136.6111.1000111R51 S55 I56R51-L53 VanDerWaalsContact C-N 3.25Å; R51-L53 PolarHBondContact O-N 2.77Å; L53-S55 PolarHBondContact O-N 3.44Å; L53-I56 PolarHBondContact O-N 2.9Å
54H59.4Low62.3Low142 Ų14282.6 Ų82.666%0.65749%0.492SS*.G310 helixtrans-73.7-12.3172.7-48.9-103.6000113.1D52 K58D52-H54 PolarHBondContact O-N 3.46Å; D52-H54 WeakPolarHBondContact OD1-CA 3.37Å; D52-H54 WeakPolarHBondContact OD1-CB 3.34Å; D52-H54 IonicContact OD1-CD2 2.78Å; D52-H54 PolarHBondContact OD1-CD2 3.04Å; D52-H54 IonicContact OD1-CG 3.9Å; D52-H54 VanDerWaalsContact OD1-CG 3.31Å; D52-H54 PolarHBondContact OD1-N 3.1Å; H54-K58 PolarHBondContact CE1-NZ 3.38Å; H54-K58 PolarHBondContact ND1-NZ 3.05Å; H54-K58 VanDerWaalsContact ND1-NZ 3.18Å
55S62.5Low62.8Low93 Ų9382.9 Ų82.965%0.6550%0.496SS*.G310 helixtrans-78.6-18.8173.483.70000113.4D52 L53D52-S55 WeakPolarHBondContact O-CB 3.27Å; D52-S55 PolarHBondContact O-N 2.96Å; D52-S55 PolarHBondContact O-OG 3.36Å; D52-S55 VanDerWaalsContact O-OG 3.07Å; L53-S55 PolarHBondContact O-N 3.44Å
56I63.6Low63.6Low48 Ų4880.7 Ų80.725%0.24648%0.483CS..SBendtrans-86.4129.6176.6-51.3178.7000108L11 L53 K58L11-I56 HydrophobicContact CB-CG2 4.48Å; L11-I56 HydrophobicContact CD2-CB 4.24Å; L11-I56 HydrophobicContact CD2-CG2 3.87Å; L53-I56 PolarHBondContact O-N 2.9Å; I56-K58 PolarHBondContact O-N 3.31Å
57P62.4Low64.9Low95 Ų9579.9 Ų79.962%0.61747%0.472SS*.  trans-53.6113.3172-24.934.3000110.5E12E12-P57 PolarHBondContact N-O 3.25Å
58K64.3Low66.3Low55 Ų5577.7 Ų77.724%0.23945%0.451CS..EExtended strand (participates in β ladder)trans-124.7133.5-178.166.7-174.4-178.9179.20110.8H9 L11 H54 I56H9-K58 HydrophobicContact CB-CB 4.28Å; L11-K58 HydrophobicContact CD2-CB 3.84Å; H54-K58 PolarHBondContact CE1-NZ 3.38Å; H54-K58 PolarHBondContact ND1-NZ 3.05Å; H54-K58 VanDerWaalsContact ND1-NZ 3.18Å; I56-K58 PolarHBondContact O-N 3.31Å
59L60.9Low68Low41 Ų4181.3 Ų81.322%0.21546%0.459CS..EExtended strand (participates in β ladder)trans-89.5115.5164.7-61.1167.5000107.2H9 L10 F61 E97 R100H9-L59 WeakPolarHBondContact CA-O 3.5Å; L10-L59 HydrophobicContact CB-CB 4.32Å; L10-L59 HydrophobicContact CD2-CD1 4.23Å; L10-L59 PolarHBondContact N-O 3.22Å; L10-L59 PolarHBondContact O-N 2.93Å; L59-F61 HydrophobicContact CB-CD1 4.45Å; L59-E97 HydrophobicContact CD1-CG 4.34Å; L59-E97 HydrophobicContact CD2-CG 4.37Å; L59-R100 VanDerWaalsContact CD1-NH1 3.34Å
60T58Low69.8Low72 Ų7280.1 Ų80.144%0.44244%0.439SS..EExtended strand (participates in β ladder)trans-96.4123.9169.7-49.30000107.1H9H9-T60 PolarHBondContact CE1-OG1 3.38Å; H9-T60 VanDerWaalsContact CE1-OG1 3.29Å; H9-T60 PolarHBondContact ND1-OG1 3.01Å
61F65.1Low72.1Confident13 Ų1373.9 Ų73.96%0.05740%0.396CS..EExtended strand (participates in β ladder)trans-135.7138.8177.753.8-88.8000109.8I8 L10 L59 E97 L101I8-F61 HydrophobicContact CB-CE2 3.99Å; I8-F61 HydrophobicContact CB-CZ 3.86Å; I8-F61 HydrophobicContact CD1-CE2 4.11Å; I8-F61 HydrophobicContact CG2-CE1 4.17Å; I8-F61 HydrophobicContact CG2-CE2 4.01Å; I8-F61 HydrophobicContact CG2-CZ 3.46Å; I8-F61 VanDerWaalsContact CG2-CZ 3.46Å; L10-F61 HydrophobicContact CB-CE1 4.06Å; L59-F61 HydrophobicContact CB-CD1 4.45Å; F61-E97 HydrophobicContact CB-CB 4.31Å; F61-E97 HydrophobicContact CD1-CB 4.29Å; F61-E97 HydrophobicContact CG-CB 4.39Å; F61-L101 HydrophobicContact CD2-CD2 4.47Å; F61-L101 HydrophobicContact CE2-CB 4.49Å; F61-L101 HydrophobicContact CE2-CD2 3.34Å; F61-L101 HydrophobicContact CE2-CG 4.32Å; F61-L101 HydrophobicContact CZ-CB 4.17Å; F61-L101 HydrophobicContact CZ-CD1 3.98Å; F61-L101 HydrophobicContact CZ-CD2 3.54Å; F61-L101 HydrophobicContact CZ-CG 4.08Å
62P66.5Low73.9Confident100 Ų10070.2 Ų70.265%0.64939%0.387SS*.  trans-66163.3165.231.4-34.2000109.2E64P62-E64 PolarHBondContact O-N 3.36Å
63F70.3Confident75.6Confident56 Ų5666.9 Ų66.925%0.24637%0.374CS..  trans-49137.7165.8-67.7-70.2000110I8 I65 L200I8-F63 HydrophobicContact CD1-CD1 4.3Å; I8-F63 HydrophobicContact CD1-CE1 3.83Å; I8-F63 HydrophobicContact CD1-CZ 4.35Å; F63-I65 HydrophobicContact CB-CD1 3.84Å; F63-I65 HydrophobicContact CB-CG1 3.95Å; F63-I65 PolarHBondContact O-N 3.03Å; F63-L200 VanDerWaalsContact CE1-C 3.46Å
64E75.6Confident77.4Confident33 Ų3365.9 Ų65.915%0.15437%0.369CS..SBendtrans-71.170.3179.9-72.7-72.9136.500110.5P62 S95 K135 G136P62-E64 PolarHBondContact O-N 3.36Å; E64-S95 VanDerWaalsContact CD-OG 3.24Å; E64-S95 WeakPolarHBondContact OE1-CB 3.31Å; E64-S95 PolarHBondContact OE1-OG 3.49Å; E64-S95 PolarHBondContact OE2-N 3.14Å; E64-S95 PolarHBondContact OE2-OG 3.38Å; E64-K135 HydrophobicContact CB-CB 4.47Å; E64-K135 HydrophobicContact CB-CG 4.24Å; E64-K135 CarbonylContact O-C 3.06Å; E64-K135 WeakPolarHBondContact O-CA 3.38Å; E64-K135 WeakPolarHBondContact O-CB 3.03Å; E64-K135 WeakPolarHBondContact OE2-CG 3.37Å; E64-G136 PolarHBondContact O-N 3.15Å
65I82.9Confident79Confident118 Ų11859.2 Ų59.261%0.60534%0.339SS*.  trans-111.4144.9179.3-58.6173.8000108.5F63F63-I65 HydrophobicContact CB-CD1 3.84Å; F63-I65 HydrophobicContact CB-CG1 3.95Å; F63-I65 PolarHBondContact O-N 3.03Å
66V87.6Confident80.5Confident30 Ų3060 Ų6018%0.18233%0.328CS..  trans-81.5117.2171.7-177.40000108.6S68 L71 T92 K135V66-S68 PolarHBondContact O-N 3.48Å; V66-S68 VanDerWaalsContact O-N 3.13Å; V66-L71 HydrophobicContact CG1-CB 4.48Å; V66-L71 HydrophobicContact CG1-CD2 3.87Å; V66-T92 HydrophobicContact CG1-CG2 4.01Å; V66-T92 HydrophobicContact CG2-CG2 4.09Å; V66-K135 HydrophobicContact CG2-CB 3.69Å; V66-K135 HydrophobicContact CG2-CD 4.34Å
67D90.5Very high81.8Confident98 Ų9864 Ų6452%0.52435%0.345SS..  trans-72.999.5165.7-179.5-14000108.9I69 S70 L71D67-I69 VanDerWaalsContact C-N 3.31Å; D67-I69 PolarHBondContact O-N 3.15Å; D67-I69 PolarHBondContact OD1-N 3.36Å; D67-S70 PolarHBondContact O-N 2.93Å; D67-S70 PolarHBondContact OD1-N 3.47Å; D67-S70 VanDerWaalsContact OD2-CB 3.27Å; D67-S70 WeakPolarHBondContact OD2-CB 3.34Å; D67-L71 VanDerWaalsContact O-CB 3.28Å; D67-L71 WeakPolarHBondContact O-CB 3.34Å; D67-L71 PolarHBondContact O-N 3.04Å
68S91.1Very high83.2Confident52 Ų5260.6 Ų60.636%0.36432%0.323SS..Hα-helixtrans-61.9-36.7-179.3-64.60000112.5V66 L71 E72V66-S68 PolarHBondContact O-N 3.48Å; V66-S68 VanDerWaalsContact O-N 3.13Å; S68-L71 PolarHBondContact O-N 3.45Å; S68-E72 WeakPolarHBondContact O-CB 3.36Å; S68-E72 WeakPolarHBondContact O-CG 3.44Å; S68-E72 PolarHBondContact O-N 2.89Å
69I92.9Very high84.5Confident144 Ų14463.9 Ų63.974%0.73834%0.339SS*.Hα-helixtrans-68-48-179.4-61.4172.9000109.6D67 L71 E72 G73D67-I69 VanDerWaalsContact C-N 3.31Å; D67-I69 PolarHBondContact O-N 3.15Å; D67-I69 PolarHBondContact OD1-N 3.36Å; I69-L71 VanDerWaalsContact C-N 3.31Å; I69-L71 PolarHBondContact O-N 3.48Å; I69-E72 PolarHBondContact O-N 2.82Å; I69-G73 PolarHBondContact O-N 3.37Å
70S93.8Very high86Confident49 Ų4963.4 Ų63.434%0.34334%0.339SS..Hα-helixtrans-62-39.4175.3-1780000112.1D67 T74 K91D67-S70 PolarHBondContact O-N 2.93Å; D67-S70 PolarHBondContact OD1-N 3.47Å; D67-S70 VanDerWaalsContact OD2-CB 3.27Å; D67-S70 WeakPolarHBondContact OD2-CB 3.34Å; S70-T74 PolarHBondContact O-N 3.45Å; S70-T74 PolarHBondContact O-OG1 2.84Å; S70-K91 PolarHBondContact OG-NZ 3.04Å; S70-K91 VanDerWaalsContact OG-NZ 3.16Å
71L95.2Very high87.8Confident5 Ų560.2 Ų60.23%0.02632%0.319CS..Hα-helixtrans-62.7-55.1177.8178.261.4000110.6V66 D67 S68 I69 G73 T74 L75 K91 T92V66-L71 HydrophobicContact CG1-CB 4.48Å; V66-L71 HydrophobicContact CG1-CD2 3.87Å; D67-L71 VanDerWaalsContact O-CB 3.28Å; D67-L71 WeakPolarHBondContact O-CB 3.34Å; D67-L71 PolarHBondContact O-N 3.04Å; S68-L71 PolarHBondContact O-N 3.45Å; I69-L71 VanDerWaalsContact C-N 3.31Å; I69-L71 PolarHBondContact O-N 3.48Å; L71-G73 VanDerWaalsContact C-N 3.32Å; L71-G73 PolarHBondContact O-N 3.42Å; L71-T74 WeakPolarHBondContact O-CB 3.3Å; L71-T74 PolarHBondContact O-N 3.22Å; L71-T74 VanDerWaalsContact O-N 3.1Å; L71-L75 HydrophobicContact CD1-CD1 4.21Å; L71-L75 HydrophobicContact CD1-CD2 4.36Å; L71-L75 HydrophobicContact CD1-CG 4.12Å; L71-L75 HydrophobicContact CG-CD1 4.16Å; L71-L75 HydrophobicContact CG-CG 4.4Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 3.49Å; L71-K91 HydrophobicContact CD1-CB 3.94Å; L71-K91 HydrophobicContact CD1-CD 4.02Å; L71-T92 HydrophobicContact CD2-CG2 3.91Å
72E93.8Very high89.2Confident94 Ų9461.4 Ų61.444%0.43933%0.326SS..Hα-helixtrans-59-41.9179.3-74.9177.2-156.200112.5S68 I69 T74 L75 R76 L392S68-E72 WeakPolarHBondContact O-CB 3.36Å; S68-E72 WeakPolarHBondContact O-CG 3.44Å; S68-E72 PolarHBondContact O-N 2.89Å; I69-E72 PolarHBondContact O-N 2.82Å; E72-T74 VanDerWaalsContact C-N 3.33Å; E72-T74 PolarHBondContact O-N 2.83Å; E72-L75 PolarHBondContact O-N 3.09Å; E72-R76 WeakPolarHBondContact O-CB 3.49Å; E72-R76 PolarHBondContact O-N 3.23Å; E72-L392 HydrophobicContact CB-CD2 4.42Å; E72-L392 HydrophobicContact CG-CD2 4.23Å
73G93.7Very high90.6Very high21 Ų2160 Ų6022%0.21631%0.313CS..Hα-helixtrans-55.2-48.8173.300000111.9I69 L71 R76 E77I69-G73 PolarHBondContact O-N 3.37Å; L71-G73 VanDerWaalsContact C-N 3.32Å; L71-G73 PolarHBondContact O-N 3.42Å; G73-R76 WeakPolarHBondContact O-CB 3.14Å; G73-R76 PolarHBondContact O-N 3.29Å; G73-E77 WeakPolarHBondContact O-CG 3.42Å; G73-E77 PolarHBondContact O-N 3.16Å
74T94.8Very high91.9Very high24 Ų2457.4 Ų57.415%0.14730%0.302CS..Hα-helixtrans-64.6-43.7179.2-51.30000112S70 L71 E72 R76 E77 V78 Q87 K91S70-T74 PolarHBondContact O-N 3.45Å; S70-T74 PolarHBondContact O-OG1 2.84Å; L71-T74 WeakPolarHBondContact O-CB 3.3Å; L71-T74 PolarHBondContact O-N 3.22Å; L71-T74 VanDerWaalsContact O-N 3.1Å; E72-T74 VanDerWaalsContact C-N 3.33Å; E72-T74 PolarHBondContact O-N 2.83Å; T74-R76 PolarHBondContact O-N 3.33Å; T74-E77 PolarHBondContact O-N 3.4Å; T74-E77 VanDerWaalsContact O-N 3.16Å; T74-V78 PolarHBondContact O-N 2.83Å; T74-Q87 HydrophobicContact CG2-CB 4.05Å; T74-Q87 HydrophobicContact CG2-CG 3.85Å; T74-K91 HydrophobicContact CG2-CD 4.4Å; T74-K91 WeakPolarHBondContact OG1-CE 3.34Å; T74-K91 PolarHBondContact OG1-NZ 3.24Å
75L94.7Very high92.9Very high2 Ų256 Ų561%0.0130%0.295CS..Hα-helixtrans-64.2-27.9179.5-63.7-175.9000112.2L71 E72 V78 Q84 Q87 L88 L392L71-L75 HydrophobicContact CD1-CD1 4.21Å; L71-L75 HydrophobicContact CD1-CD2 4.36Å; L71-L75 HydrophobicContact CD1-CG 4.12Å; L71-L75 HydrophobicContact CG-CD1 4.16Å; L71-L75 HydrophobicContact CG-CG 4.4Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 3.49Å; E72-L75 PolarHBondContact O-N 3.09Å; L75-V78 WeakPolarHBondContact O-CG2 3.26Å; L75-Q84 HydrophobicContact CB-CG 4.46Å; L75-Q84 HydrophobicContact CD2-CB 3.98Å; L75-Q84 HydrophobicContact CD2-CG 4.4Å; L75-Q84 WeakPolarHBondContact CD2-O 3.04Å; L75-Q84 WeakPolarHBondContact O-CG 3.49Å; L75-Q84 PolarHBondContact O-NE2 3.19Å; L75-Q87 HydrophobicContact CD2-CB 4Å; L75-L88 HydrophobicContact CD2-CB 4.24Å; L75-L392 HydrophobicContact CB-CD2 4.04Å; L75-L392 HydrophobicContact CB-CG 4.21Å; L75-L392 HydrophobicContact CD1-CD2 4.23Å
76R92.1Very high93.6Very high111 Ų11153 Ų5342%0.41928%0.279SS..Hα-helixtrans-73.8-28.4176.5-166178-65.4107.61113E72 G73 T74 R382 L392E72-R76 WeakPolarHBondContact O-CB 3.49Å; E72-R76 PolarHBondContact O-N 3.23Å; G73-R76 WeakPolarHBondContact O-CB 3.14Å; G73-R76 PolarHBondContact O-N 3.29Å; T74-R76 PolarHBondContact O-N 3.33Å; R76-R382 PolarHBondContact O-NH1 2.96Å; R76-L392 HydrophobicContact CB-CD1 3.97Å; R76-L392 HydrophobicContact CG-CD1 4.37Å
77E91.3Very high94.1Very high131 Ų13154.7 Ų54.761%0.61229%0.285SS*.Hα-helixtrans-85.1-33.1-171.4-75.6176.417700114.5G73 T74 Q79G73-E77 WeakPolarHBondContact O-CG 3.42Å; G73-E77 PolarHBondContact O-N 3.16Å; T74-E77 PolarHBondContact O-N 3.4Å; T74-E77 VanDerWaalsContact O-N 3.16Å; E77-Q79 PolarHBondContact O-NE2 2.96Å
78V92.6Very high94.5Very high24 Ų2450 Ų5015%0.14526%0.26CS..SBendtrans-66.2163.4-177-66.10000113.4T74 L75 D83 Q84 Q87 W389T74-V78 PolarHBondContact O-N 2.83Å; L75-V78 WeakPolarHBondContact O-CG2 3.26Å; V78-D83 HydrophobicContact CB-CB 3.71Å; V78-D83 HydrophobicContact CG1-CB 4.12Å; V78-D83 HydrophobicContact CG2-CB 4.07Å; V78-Q84 HydrophobicContact CG2-CB 4.18Å; V78-Q84 HydrophobicContact CG2-CG 3.28Å; V78-Q87 HydrophobicContact CG1-CG 3.82Å; V78-W389 WeakPolarHBondContact O-CH2 3.48Å; V78-W389 WeakPolarHBondContact O-CZ2 3.3Å
79Q90.5Very high94.8Very high124 Ų12448.6 Ų48.658%0.57925%0.246SC*.SBendtrans-92.9-25.4-167.5-61.5-58-4400114.3E77 R382E77-Q79 PolarHBondContact O-NE2 2.96Å; Q79-R382 PolarHBondContact O-N 3.25Å
80S93.1Very high95Very high31 Ų3145 Ų4522%0.21723%0.227CC..SBendtrans-133.4161.4-177.575.70000112.6N82 D83 Q84S80-N82 VanDerWaalsContact C-N 3.25Å; S80-N82 PolarHBondContact O-N 2.87Å; S80-N82 PolarHBondContact OG-N 3Å; S80-D83 WeakPolarHBondContact CB-OD2 3.31Å; S80-D83 PolarHBondContact N-OD2 2.94Å; S80-D83 PolarHBondContact O-N 3.49Å; S80-D83 PolarHBondContact OG-N 3.49Å; S80-D83 VanDerWaalsContact OG-N 3.08Å; S80-D83 PolarHBondContact OG-OD2 2.86Å; S80-Q84 WeakPolarHBondContact O-CG 3.45Å; S80-Q84 PolarHBondContact O-N 2.96Å
81V95.1Very high95.1Very high5 Ų545.5 Ų45.53%0.0322%0.223CC..Hα-helixtrans-63.8-33172.3-179.80000111.3D83 Q84 I85 R303 L375 W389 L391V81-D83 VanDerWaalsContact C-N 3.32Å; V81-D83 PolarHBondContact O-N 3.48Å; V81-Q84 WeakPolarHBondContact O-CB 3.13Å; V81-Q84 PolarHBondContact O-N 3.31Å; V81-I85 HydrophobicContact CG1-CD1 4.17Å; V81-I85 HydrophobicContact CG1-CG1 4.44Å; V81-I85 VanDerWaalsContact O-CG1 3.27Å; V81-I85 WeakPolarHBondContact O-CG1 3.36Å; V81-I85 PolarHBondContact O-N 3.11Å; V81-R303 HydrophobicContact CB-CB 4.44Å; V81-R303 HydrophobicContact CB-CG 4.44Å; V81-R303 HydrophobicContact CG1-CB 4.15Å; V81-R303 HydrophobicContact CG1-CG 4.15Å; V81-L375 HydrophobicContact CG1-CD2 4.2Å; V81-W389 HydrophobicContact CG2-CZ3 4.42Å; V81-L391 HydrophobicContact CG1-CD2 4.13Å; V81-L391 HydrophobicContact CG1-CG 4.36Å
82N96.1Very high95.1Very high37 Ų3745.4 Ų45.420%0.19822%0.222CC..Hα-helixtrans-64.7-39.7176.1-69.1-31.3000111.1S80 Q84 I85 E86 E301 R303S80-N82 VanDerWaalsContact C-N 3.25Å; S80-N82 PolarHBondContact O-N 2.87Å; S80-N82 PolarHBondContact OG-N 3Å; N82-Q84 VanDerWaalsContact C-N 3.34Å; N82-I85 WeakPolarHBondContact O-CB 3.48Å; N82-I85 PolarHBondContact O-N 2.93Å; N82-E86 PolarHBondContact O-N 3.4Å; N82-E301 VanDerWaalsContact CG-OE2 3.32Å; N82-E301 PolarHBondContact ND2-OE2 2.95Å; N82-R303 WeakPolarHBondContact OD1-CB 3.5Å; N82-R303 PolarHBondContact OD1-N 3.5Å
83D95.6Very high95.2Very high72 Ų7245.2 Ų45.239%0.38522%0.217SC..Hα-helixtrans-65.5-38.4173-59.3-43.6000111.5V78 S80 V81 I85 E86 Q87V78-D83 HydrophobicContact CB-CB 3.71Å; V78-D83 HydrophobicContact CG1-CB 4.12Å; V78-D83 HydrophobicContact CG2-CB 4.07Å; S80-D83 WeakPolarHBondContact CB-OD2 3.31Å; S80-D83 PolarHBondContact N-OD2 2.94Å; S80-D83 PolarHBondContact O-N 3.49Å; S80-D83 PolarHBondContact OG-N 3.49Å; S80-D83 VanDerWaalsContact OG-N 3.08Å; S80-D83 PolarHBondContact OG-OD2 2.86Å; V81-D83 VanDerWaalsContact C-N 3.32Å; V81-D83 PolarHBondContact O-N 3.48Å; D83-I85 VanDerWaalsContact C-N 3.32Å; D83-I85 PolarHBondContact O-N 2.86Å; D83-E86 PolarHBondContact O-N 3.43Å; D83-Q87 WeakPolarHBondContact O-CB 3.47Å; D83-Q87 VanDerWaalsContact O-CG 3.29Å; D83-Q87 WeakPolarHBondContact O-CG 3.31Å; D83-Q87 PolarHBondContact O-N 3.24Å
84Q96.4Very high95.2Very high0 Ų045.2 Ų45.20%021%0.212CC..Hα-helixtrans-60.3-43.6173.3-69.6179.7-34.600111.2L75 V78 S80 V81 N82 Q87 L88 W389 L391L75-Q84 HydrophobicContact CB-CG 4.46Å; L75-Q84 HydrophobicContact CD2-CB 3.98Å; L75-Q84 HydrophobicContact CD2-CG 4.4Å; L75-Q84 WeakPolarHBondContact CD2-O 3.04Å; L75-Q84 WeakPolarHBondContact O-CG 3.49Å; L75-Q84 PolarHBondContact O-NE2 3.19Å; V78-Q84 HydrophobicContact CG2-CB 4.18Å; V78-Q84 HydrophobicContact CG2-CG 3.28Å; S80-Q84 WeakPolarHBondContact O-CG 3.45Å; S80-Q84 PolarHBondContact O-N 2.96Å; V81-Q84 WeakPolarHBondContact O-CB 3.13Å; V81-Q84 PolarHBondContact O-N 3.31Å; N82-Q84 VanDerWaalsContact C-N 3.34Å; Q84-Q87 PolarHBondContact O-N 3.28Å; Q84-L88 VanDerWaalsContact O-CB 3.27Å; Q84-L88 WeakPolarHBondContact O-CB 3.34Å; Q84-L88 PolarHBondContact O-N 3.3Å; Q84-W389 PolarHBondContact NE2-O 2.91Å; Q84-L391 HydrophobicContact CB-CB 4.21Å; Q84-L391 HydrophobicContact CB-CD1 3.77Å; Q84-L391 HydrophobicContact CB-CG 3.77Å
85I97.9Very high95Very high3 Ų345.3 Ų45.32%0.01521%0.214CC..Hα-helixtrans-61.7-45.1177.1-68.5170.6000110.7V81 N82 D83 L88 Y89 R232 V236 P302 R303 L306 L391V81-I85 HydrophobicContact CG1-CD1 4.17Å; V81-I85 HydrophobicContact CG1-CG1 4.44Å; V81-I85 VanDerWaalsContact O-CG1 3.27Å; V81-I85 WeakPolarHBondContact O-CG1 3.36Å; V81-I85 PolarHBondContact O-N 3.11Å; N82-I85 WeakPolarHBondContact O-CB 3.48Å; N82-I85 PolarHBondContact O-N 2.93Å; D83-I85 VanDerWaalsContact C-N 3.32Å; D83-I85 PolarHBondContact O-N 2.86Å; I85-L88 PolarHBondContact O-N 2.98Å; I85-Y89 WeakPolarHBondContact O-CB 3.27Å; I85-Y89 PolarHBondContact O-N 3.06Å; I85-R232 HydrophobicContact CG2-CB 3.83Å; I85-R232 HydrophobicContact CG2-CG 4.21Å; I85-V236 HydrophobicContact CB-CG2 4.02Å; I85-V236 HydrophobicContact CG1-CG2 3.75Å; I85-V236 HydrophobicContact CG2-CG2 3.61Å; I85-P302 HydrophobicContact CB-CB 4.29Å; I85-P302 HydrophobicContact CD1-CB 3.76Å; I85-P302 HydrophobicContact CG2-CB 3.75Å; I85-P302 HydrophobicContact CG2-CG 4.49Å; I85-R303 HydrophobicContact CD1-CB 4.32Å; I85-L306 HydrophobicContact CD1-CD2 4.47Å; I85-L391 HydrophobicContact CB-CD1 4.48Å; I85-L391 HydrophobicContact CG1-CD1 3.81Å; I85-L391 HydrophobicContact CG1-CD2 4.04Å; I85-L391 HydrophobicContact CG1-CG 4.23Å
86E97.7Very high94.8Very high55 Ų5552.5 Ų52.526%0.25725%0.245SC..Hα-helixtrans-66.7-43.1178.4-173.960.2-163.800111.7N82 D83 L88 Y89 Q90 R232N82-E86 PolarHBondContact O-N 3.4Å; D83-E86 PolarHBondContact O-N 3.43Å; E86-L88 PolarHBondContact O-N 3.37Å; E86-Y89 WeakPolarHBondContact O-CB 3.16Å; E86-Y89 PolarHBondContact O-N 2.98Å; E86-Q90 HydrophobicContact CG-CG 4.34Å; E86-Q90 VanDerWaalsContact O-CG 3.31Å; E86-Q90 WeakPolarHBondContact O-CG 3.28Å; E86-Q90 PolarHBondContact O-N 3.42Å; E86-Q90 PolarHBondContact OE1-NE2 2.66Å; E86-R232 IonicContact OE1-CZ 2.72Å; E86-R232 IonicContact OE1-NE 3.21Å; E86-R232 IonicContact OE1-NH2 3.42Å; E86-R232 PolarHBondContact OE1-NH2 3.13Å; E86-R232 IonicContact OE2-CZ 3.05Å; E86-R232 IonicContact OE2-NE 3.94Å; E86-R232 PolarHBondContact OE2-NE 3.41Å; E86-R232 IonicContact OE2-NH2 2.66Å; E86-R232 PolarHBondContact OE2-NH2 2.99Å
87Q97.7Very high94.5Very high66 Ų6650 Ų5031%0.30824%0.238SC..Hα-helixtrans-64.2-41176.7-71-59.7-29.600112.2T74 L75 V78 D83 Q84 Y89 Q90 K91T74-Q87 HydrophobicContact CG2-CB 4.05Å; T74-Q87 HydrophobicContact CG2-CG 3.85Å; L75-Q87 HydrophobicContact CD2-CB 4Å; V78-Q87 HydrophobicContact CG1-CG 3.82Å; D83-Q87 WeakPolarHBondContact O-CB 3.47Å; D83-Q87 VanDerWaalsContact O-CG 3.29Å; D83-Q87 WeakPolarHBondContact O-CG 3.31Å; D83-Q87 PolarHBondContact O-N 3.24Å; Q84-Q87 PolarHBondContact O-N 3.28Å; Q87-Y89 VanDerWaalsContact C-N 3.34Å; Q87-Y89 PolarHBondContact O-N 2.94Å; Q87-Q90 PolarHBondContact O-N 3.12Å; Q87-K91 WeakPolarHBondContact O-CB 3.47Å; Q87-K91 PolarHBondContact O-N 2.9Å
88L98.3Very high94.5Very high0 Ų043.8 Ų43.80%021%0.21CC..Hα-helixtrans-58.5-48.3173.1-176156.3000110.2L75 Q84 I85 E86 T92 F235 V236 R239 L391 L395L75-L88 HydrophobicContact CD2-CB 4.24Å; Q84-L88 VanDerWaalsContact O-CB 3.27Å; Q84-L88 WeakPolarHBondContact O-CB 3.34Å; Q84-L88 PolarHBondContact O-N 3.3Å; I85-L88 PolarHBondContact O-N 2.98Å; E86-L88 PolarHBondContact O-N 3.37Å; L88-T92 WeakPolarHBondContact O-CB 3.32Å; L88-T92 VanDerWaalsContact O-CG2 3.26Å; L88-T92 WeakPolarHBondContact O-CG2 3.22Å; L88-T92 PolarHBondContact O-N 2.91Å; L88-T92 VanDerWaalsContact O-N 3.11Å; L88-T92 PolarHBondContact O-OG1 2.93Å; L88-F235 HydrophobicContact CD2-CB 4.06Å; L88-V236 HydrophobicContact CD1-CG2 4.5Å; L88-V236 HydrophobicContact CD2-CG2 4.25Å; L88-R239 HydrophobicContact CD1-CB 4.24Å; L88-R239 HydrophobicContact CD1-CG 4.17Å; L88-L391 HydrophobicContact CB-CD1 4.36Å; L88-L391 HydrophobicContact CD1-CD1 3.88Å; L88-L395 HydrophobicContact CD1-CD1 4.21Å
89Y98Very high94.5Very high22 Ų2245.6 Ų45.69%0.08622%0.218CC..Hα-helixtrans-59-51.9177.3172.6-114000111.9I85 E86 Q87 K91 T92 R93 K231 R232 F235I85-Y89 WeakPolarHBondContact O-CB 3.27Å; I85-Y89 PolarHBondContact O-N 3.06Å; E86-Y89 WeakPolarHBondContact O-CB 3.16Å; E86-Y89 PolarHBondContact O-N 2.98Å; Q87-Y89 VanDerWaalsContact C-N 3.34Å; Q87-Y89 PolarHBondContact O-N 2.94Å; Y89-K91 PolarHBondContact O-N 3.03Å; Y89-T92 PolarHBondContact O-N 3.13Å; Y89-R93 HydrophobicContact CD2-CB 4.47Å; Y89-R93 HydrophobicContact CE2-CB 4.11Å; Y89-R93 WeakPolarHBondContact O-CB 3.41Å; Y89-R93 WeakPolarHBondContact O-CG 3.44Å; Y89-R93 PolarHBondContact O-N 2.72Å; Y89-K231 HydrophobicContact CD2-CB 4.43Å; Y89-K231 HydrophobicContact CE2-CB 3.79Å; Y89-K231 HydrophobicContact CE2-CD 4.37Å; Y89-K231 WeakPolarHBondContact OH-CD 3.41Å; Y89-R232 HydrophobicContact CD1-CG 4.39Å; Y89-R232 HydrophobicContact CG-CG 4.29Å; Y89-F235 HydrophobicContact CD2-CB 4.37Å; Y89-F235 AromaticContact CD2-CD1 3.72Å; Y89-F235 HydrophobicContact CD2-CD1 3.72Å; Y89-F235 HydrophobicContact CD2-CD2 4.13Å; Y89-F235 AromaticContact CD2-CE1 3.95Å; Y89-F235 HydrophobicContact CD2-CE1 3.95Å; Y89-F235 HydrophobicContact CD2-CE2 4.31Å; Y89-F235 AromaticContact CD2-CG 3.81Å; Y89-F235 HydrophobicContact CD2-CG 3.81Å; Y89-F235 HydrophobicContact CD2-CZ 4.23Å; Y89-F235 HydrophobicContact CE2-CD1 4.37Å; Y89-F235 HydrophobicContact CE2-CD2 4.35Å; Y89-F235 HydrophobicContact CE2-CE1 4.18Å; Y89-F235 HydrophobicContact CE2-CE2 4.14Å; Y89-F235 HydrophobicContact CE2-CG 4.45Å; Y89-F235 HydrophobicContact CE2-CZ 4.06Å
90Q96.7Very high94.5Very high69 Ų6944.9 Ų44.932%0.32221%0.21SC..Hα-helixtrans-64.3-39.6-176.4-67.8-61.6-21.300113E86 Q87 R93E86-Q90 HydrophobicContact CG-CG 4.34Å; E86-Q90 VanDerWaalsContact O-CG 3.31Å; E86-Q90 WeakPolarHBondContact O-CG 3.28Å; E86-Q90 PolarHBondContact O-N 3.42Å; E86-Q90 PolarHBondContact OE1-NE2 2.66Å; Q87-Q90 PolarHBondContact O-N 3.12Å; Q90-R93 VanDerWaalsContact OE1-CZ 3.31Å
91K95.4Very high94.3Very high60 Ų6043.6 Ų43.626%0.26120%0.201SC..Hα-helixtrans-78.5-25.2-178.1-74.9-173.2172.2-119.20113.9S70 L71 T74 Q87 Y89 K135S70-K91 PolarHBondContact OG-NZ 3.04Å; S70-K91 VanDerWaalsContact OG-NZ 3.16Å; L71-K91 HydrophobicContact CD1-CB 3.94Å; L71-K91 HydrophobicContact CD1-CD 4.02Å; T74-K91 HydrophobicContact CG2-CD 4.4Å; T74-K91 WeakPolarHBondContact OG1-CE 3.34Å; T74-K91 PolarHBondContact OG1-NZ 3.24Å; Q87-K91 WeakPolarHBondContact O-CB 3.47Å; Q87-K91 PolarHBondContact O-N 2.9Å; Y89-K91 PolarHBondContact O-N 3.03Å; K91-K135 WeakPolarHBondContact O-CD 3.19Å; K91-K135 WeakPolarHBondContact O-CE 2.98Å; K91-K135 PolarHBondContact O-NZ 3.25Å
92T96.3Very high94.2Very high3 Ų343.6 Ų43.62%0.01820%0.2CC..Hα-helixtrans-104.3-18.7-174.765.30000114.6V66 L71 L88 Y89 Q134 K135 F235V66-T92 HydrophobicContact CG1-CG2 4.01Å; V66-T92 HydrophobicContact CG2-CG2 4.09Å; L71-T92 HydrophobicContact CD2-CG2 3.91Å; L88-T92 WeakPolarHBondContact O-CB 3.32Å; L88-T92 VanDerWaalsContact O-CG2 3.26Å; L88-T92 WeakPolarHBondContact O-CG2 3.22Å; L88-T92 PolarHBondContact O-N 2.91Å; L88-T92 VanDerWaalsContact O-N 3.11Å; L88-T92 PolarHBondContact O-OG1 2.93Å; Y89-T92 PolarHBondContact O-N 3.13Å; T92-Q134 CarbonylContact O-C 3.58Å; T92-Q134 WeakPolarHBondContact O-CA 3.34Å; T92-K135 PolarHBondContact O-N 3.23Å; T92-F235 WeakPolarHBondContact OG1-CD1 3.42Å
93R95.6Very high94.1Very high89 Ų8946.6 Ų46.634%0.33621%0.212SC..BIsolated β-bridgetrans-63.9150173.470.5-177.2-178.884.8-1.7111.2Y89 Q90 K135 F235Y89-R93 HydrophobicContact CD2-CB 4.47Å; Y89-R93 HydrophobicContact CE2-CB 4.11Å; Y89-R93 WeakPolarHBondContact O-CB 3.41Å; Y89-R93 WeakPolarHBondContact O-CG 3.44Å; Y89-R93 PolarHBondContact O-N 2.72Å; Q90-R93 VanDerWaalsContact OE1-CZ 3.31Å; R93-K135 WeakPolarHBondContact O-CE 3.36Å; R93-F235 HydrophobicContact CB-CE1 3.72Å; R93-F235 HydrophobicContact CB-CZ 4.02Å
94I93.2Very high94Very high21 Ų2145.1 Ų45.111%0.10820%0.202CC..PPolyproline II helixtrans-61.9141.4173-162.1170.4000110.8A133I94-A133 HydrophobicContact CB-CB 4.07Å; I94-A133 HydrophobicContact CD1-CB 4.46Å; I94-A133 HydrophobicContact CG2-CB 3.62Å; I94-A133 PolarHBondContact N-O 3.47Å
95S91.1Very high93.8Very high26 Ų2645.1 Ų45.118%0.18220%0.202CC..PPolyproline II helixtrans-73.5169.7172.575.20000111.9E64 E97 G98 L99E64-S95 VanDerWaalsContact CD-OG 3.24Å; E64-S95 WeakPolarHBondContact OE1-CB 3.31Å; E64-S95 PolarHBondContact OE1-OG 3.49Å; E64-S95 PolarHBondContact OE2-N 3.14Å; E64-S95 PolarHBondContact OE2-OG 3.38Å; S95-E97 WeakPolarHBondContact CB-OE2 3.34Å; S95-E97 PolarHBondContact O-N 3.41Å; S95-E97 PolarHBondContact OG-N 3.09Å; S95-E97 PolarHBondContact OG-OE2 3.3Å; S95-G98 PolarHBondContact OG-N 3.02Å; S95-L99 PolarHBondContact O-N 3.43Å; S95-L99 VanDerWaalsContact O-N 3.12Å
96K89.7Confident93.7Very high153 Ų15345.1 Ų45.167%0.66520%0.202SC*.Hα-helixtrans-67.5-33.1174-70.8179.8179.6176.70110.3L99 R100K96-L99 WeakPolarHBondContact O-CB 3.37Å; K96-L99 PolarHBondContact O-N 3.3Å; K96-R100 WeakPolarHBondContact O-CG 2.91Å; K96-R100 PolarHBondContact O-N 3.05Å
97E87Confident93.5Very high59 Ų5943.7 Ų43.728%0.27620%0.198SC..Hα-helixtrans-68.1-47.3179.3-61.364-141.700109.9L59 F61 S95 L99 R100 L101L59-E97 HydrophobicContact CD1-CG 4.34Å; L59-E97 HydrophobicContact CD2-CG 4.37Å; F61-E97 HydrophobicContact CB-CB 4.31Å; F61-E97 HydrophobicContact CD1-CB 4.29Å; F61-E97 HydrophobicContact CG-CB 4.39Å; S95-E97 WeakPolarHBondContact CB-OE2 3.34Å; S95-E97 PolarHBondContact O-N 3.41Å; S95-E97 PolarHBondContact OG-N 3.09Å; S95-E97 PolarHBondContact OG-OE2 3.3Å; E97-L99 VanDerWaalsContact C-N 3.27Å; E97-L99 PolarHBondContact O-N 3.37Å; E97-R100 WeakPolarHBondContact O-CB 3.24Å; E97-R100 PolarHBondContact O-N 2.78Å; E97-R100 VanDerWaalsContact O-N 3.15Å; E97-L101 PolarHBondContact O-N 3.25Å
98G89.9Confident93.2Very high1 Ų141 Ų411%0.0119%0.186CC..Hα-helixtrans-60.1-36.8173.400000112.5S95 R102S95-G98 PolarHBondContact OG-N 3.02Å; G98-R102 WeakPolarHBondContact O-CG 3.43Å; G98-R102 PolarHBondContact O-N 2.97Å
99L92.1Very high93Very high61 Ų6141 Ų4132%0.31919%0.186SC..Hα-helixtrans-65.5-48.7172.7-173.662.8000111.4S95 K96 E97 L101 R102 F103 T128S95-L99 PolarHBondContact O-N 3.43Å; S95-L99 VanDerWaalsContact O-N 3.12Å; K96-L99 WeakPolarHBondContact O-CB 3.37Å; K96-L99 PolarHBondContact O-N 3.3Å; E97-L99 VanDerWaalsContact C-N 3.27Å; E97-L99 PolarHBondContact O-N 3.37Å; L99-L101 VanDerWaalsContact C-N 3.29Å; L99-L101 PolarHBondContact O-N 2.98Å; L99-R102 WeakPolarHBondContact O-CB 3.5Å; L99-R102 PolarHBondContact O-N 2.74Å; L99-R102 VanDerWaalsContact O-N 3.14Å; L99-F103 HydrophobicContact CD1-CD2 4.19Å; L99-F103 HydrophobicContact CD1-CE2 3.75Å; L99-F103 HydrophobicContact CG-CD2 4.15Å; L99-F103 HydrophobicContact CG-CE2 3.95Å; L99-F103 WeakPolarHBondContact O-CD2 3.37Å; L99-F103 PolarHBondContact O-N 3.21Å; L99-T128 HydrophobicContact CD1-CG2 3.63Å; L99-T128 WeakPolarHBondContact CD1-O 3.28Å
100R90.8Very high92.9Very high109 Ų10941.2 Ų41.241%0.41119%0.188SC..Hα-helixtrans-57.5-42.2176.8-74.6170.1171.3-171.2-17.4111.9L10 E12 L59 K96 E97 R102 F103 F104L10-R100 HydrophobicContact CD2-CB 3.78Å; E12-R100 IonicContact OE1-CZ 2.78Å; E12-R100 IonicContact OE1-NE 3.24Å; E12-R100 IonicContact OE1-NH1 2.9Å; E12-R100 PolarHBondContact OE1-NH1 3.48Å; E12-R100 IonicContact OE1-NH2 3.41Å; E12-R100 PolarHBondContact OE1-NH2 3.31Å; E12-R100 IonicContact OE2-NH1 3.12Å; L59-R100 VanDerWaalsContact CD1-NH1 3.34Å; K96-R100 WeakPolarHBondContact O-CG 2.91Å; K96-R100 PolarHBondContact O-N 3.05Å; E97-R100 WeakPolarHBondContact O-CB 3.24Å; E97-R100 PolarHBondContact O-N 2.78Å; E97-R100 VanDerWaalsContact O-N 3.15Å; R100-R102 VanDerWaalsContact C-N 3.31Å; R100-R102 PolarHBondContact O-N 3.12Å; R100-F103 PolarHBondContact O-N 2.69Å; R100-F104 WeakPolarHBondContact O-CB 3.44Å; R100-F104 PolarHBondContact O-N 2.77Å
101L89.5Confident92.7Very high5 Ų540.3 Ų40.33%0.02619%0.185CC..Hα-helixtrans-62.1-38.6177.8-177.459.9000112.2F61 E97 L99 F104 L105 L200 I202F61-L101 HydrophobicContact CD2-CD2 4.47Å; F61-L101 HydrophobicContact CE2-CB 4.49Å; F61-L101 HydrophobicContact CE2-CD2 3.34Å; F61-L101 HydrophobicContact CE2-CG 4.32Å; F61-L101 HydrophobicContact CZ-CB 4.17Å; F61-L101 HydrophobicContact CZ-CD1 3.98Å; F61-L101 HydrophobicContact CZ-CD2 3.54Å; F61-L101 HydrophobicContact CZ-CG 4.08Å; E97-L101 PolarHBondContact O-N 3.25Å; L99-L101 VanDerWaalsContact C-N 3.29Å; L99-L101 PolarHBondContact O-N 2.98Å; L101-F104 HydrophobicContact CD1-CD1 4.11Å; L101-F104 WeakPolarHBondContact O-CB 3.34Å; L101-F104 PolarHBondContact O-N 3.38Å; L101-L105 WeakPolarHBondContact O-CB 3.31Å; L101-L105 PolarHBondContact O-N 3.38Å; L101-L200 HydrophobicContact CD1-CD1 4.02Å; L101-L200 HydrophobicContact CD1-CD2 3.84Å; L101-L200 HydrophobicContact CD1-CG 4.43Å; L101-L200 HydrophobicContact CD2-CB 4.18Å; L101-L200 HydrophobicContact CD2-CD2 4.23Å; L101-L200 HydrophobicContact CG-CD1 4.49Å; L101-I202 HydrophobicContact CD2-CD1 3.7Å; L101-I202 HydrophobicContact CG-CD1 3.83Å
102R93.4Very high92.5Very high5 Ų537.5 Ų37.52%0.01917%0.173CC..Hα-helixtrans-64.2-45.4176.3-72.8169.4-172.4-95.2-2.8112.2G98 L99 R100 F104 L105 T106 T128 C137 D138 L139 I202G98-R102 WeakPolarHBondContact O-CG 3.43Å; G98-R102 PolarHBondContact O-N 2.97Å; L99-R102 WeakPolarHBondContact O-CB 3.5Å; L99-R102 PolarHBondContact O-N 2.74Å; L99-R102 VanDerWaalsContact O-N 3.14Å; R100-R102 VanDerWaalsContact C-N 3.31Å; R100-R102 PolarHBondContact O-N 3.12Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.5Å; R102-L105 PolarHBondContact O-N 3.25Å; R102-T106 PolarHBondContact O-N 3.44Å; R102-T106 PolarHBondContact O-OG1 2.98Å; R102-T106 VanDerWaalsContact O-OG1 3.07Å; R102-T128 HydrophobicContact CB-CG2 4.11Å; R102-C137 VanDerWaalsContact CZ-O 3.25Å; R102-C137 PolarHBondContact NH1-O 3.44Å; R102-C137 PolarHBondContact NH2-O 3.03Å; R102-D138 VanDerWaalsContact NH1-C 3.31Å; R102-D138 PolarHBondContact NH1-O 3.4Å; R102-L139 HydrophobicContact CB-CD1 3.94Å; R102-L139 HydrophobicContact CB-CD2 3.99Å; R102-L139 HydrophobicContact CG-CD1 4.24Å; R102-L139 HydrophobicContact CG-CD2 4.18Å; R102-I202 HydrophobicContact CG-CD1 4.05Å
103F94.6Very high92.4Very high100 Ų10037.4 Ų37.444%0.43917%0.172SC..Hα-helixtrans-61.9-39.4174-81.7-85.1000111.9L99 R100 T106 S107 P124 V129L99-F103 HydrophobicContact CD1-CD2 4.19Å; L99-F103 HydrophobicContact CD1-CE2 3.75Å; L99-F103 HydrophobicContact CG-CD2 4.15Å; L99-F103 HydrophobicContact CG-CE2 3.95Å; L99-F103 WeakPolarHBondContact O-CD2 3.37Å; L99-F103 PolarHBondContact O-N 3.21Å; R100-F103 PolarHBondContact O-N 2.69Å; F103-T106 PolarHBondContact O-N 2.95Å; F103-S107 PolarHBondContact O-N 2.94Å; F103-P124 HydrophobicContact CD1-CG 3.76Å; F103-P124 HydrophobicContact CE1-CG 3.72Å; F103-P124 HydrophobicContact CG-CG 4.25Å; F103-P124 HydrophobicContact CZ-CG 4.16Å; F103-V129 HydrophobicContact CZ-CG1 4.34Å
104F91.7Very high92.3Very high40 Ų4037.3 Ų37.318%0.17517%0.172CC..Hα-helixtrans-61.5-50174.4177.4-108.1000111.6L10 R40 M41 R100 L101 R102 T106 S107 L108L10-F104 HydrophobicContact CD1-CB 4.3Å; L10-F104 HydrophobicContact CD1-CD1 4.33Å; L10-F104 HydrophobicContact CD1-CD2 4.31Å; L10-F104 HydrophobicContact CD1-CG 4.05Å; R40-F104 HydrophobicContact CB-CE2 3.88Å; R40-F104 HydrophobicContact CB-CZ 3.95Å; M41-F104 HydrophobicContact CG-CE1 4.06Å; M41-F104 HydrophobicContact CG-CZ 4.21Å; R100-F104 WeakPolarHBondContact O-CB 3.44Å; R100-F104 PolarHBondContact O-N 2.77Å; L101-F104 HydrophobicContact CD1-CD1 4.11Å; L101-F104 WeakPolarHBondContact O-CB 3.34Å; L101-F104 PolarHBondContact O-N 3.38Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.5Å; F104-T106 VanDerWaalsContact C-N 3.34Å; F104-T106 PolarHBondContact O-N 3.21Å; F104-S107 WeakPolarHBondContact O-CA 3.33Å; F104-S107 WeakPolarHBondContact O-CB 3.49Å; F104-S107 PolarHBondContact O-N 3.11Å; F104-S107 PolarHBondContact O-OG 3.19Å; F104-L108 HydrophobicContact CD1-CD1 4.02Å; F104-L108 HydrophobicContact CD1-CG 4.48Å; F104-L108 HydrophobicContact CE1-CD1 3.52Å; F104-L108 HydrophobicContact CE1-CD2 4.5Å; F104-L108 HydrophobicContact CE1-CG 4.13Å; F104-L108 HydrophobicContact CE2-CD2 4.32Å; F104-L108 HydrophobicContact CE2-CG 4.43Å; F104-L108 HydrophobicContact CZ-CD1 3.88Å; F104-L108 HydrophobicContact CZ-CD2 4.01Å; F104-L108 HydrophobicContact CZ-CG 4.09Å; F104-L108 PolarHBondContact O-N 3.5Å
105L92.3Very high92.1Very high0 Ų042.4 Ų42.40%019%0.19CC..Hα-helixtrans-58.9-43.5176.5178.251.6000111.9L101 R102 S107 L108 I109 L139 F176 L200 I202 C204L101-L105 WeakPolarHBondContact O-CB 3.31Å; L101-L105 PolarHBondContact O-N 3.38Å; R102-L105 PolarHBondContact O-N 3.25Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 2.62Å; L105-L108 WeakPolarHBondContact O-CB 3.44Å; L105-L108 PolarHBondContact O-N 3.02Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L105-I109 HydrophobicContact CD1-CD1 4.11Å; L105-I109 HydrophobicContact CD1-CG1 4.33Å; L105-I109 HydrophobicContact CG-CD1 4.15Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 3.41Å; L105-L139 HydrophobicContact CB-CD2 4.25Å; L105-L139 HydrophobicContact CD2-CD2 4.05Å; L105-L139 HydrophobicContact CG-CD2 4.18Å; L105-F176 HydrophobicContact CD1-CE1 4.04Å; L105-F176 HydrophobicContact CD1-CZ 3.8Å; L105-L200 HydrophobicContact CB-CD1 4.06Å; L105-L200 HydrophobicContact CD1-CD1 3.95Å; L105-L200 HydrophobicContact CD2-CD1 4.06Å; L105-L200 HydrophobicContact CG-CD1 4.24Å; L105-I202 HydrophobicContact CD2-CB 3.87Å; L105-I202 HydrophobicContact CD2-CD1 4.2Å; L105-I202 HydrophobicContact CD2-CG2 3.85Å; L105-C204 WeakPolarHBondContact CD2-SG 3.36Å
106T95.8Very high92.1Very high3 Ų343.3 Ų43.32%0.01819%0.192CC..Hα-helixtrans-59.6-39.9173.8-58.70000111.9R102 F103 F104 L108 I109 E110 C122 P124 I141R102-T106 PolarHBondContact O-N 3.44Å; R102-T106 PolarHBondContact O-OG1 2.98Å; R102-T106 VanDerWaalsContact O-OG1 3.07Å; F103-T106 PolarHBondContact O-N 2.95Å; F104-T106 VanDerWaalsContact C-N 3.34Å; F104-T106 PolarHBondContact O-N 3.21Å; T106-L108 VanDerWaalsContact C-N 3.33Å; T106-L108 PolarHBondContact O-N 3.43Å; T106-I109 PolarHBondContact O-N 2.9Å; T106-E110 WeakPolarHBondContact O-CB 3.41Å; T106-E110 PolarHBondContact O-N 3.45Å; T106-C122 HydrophobicContact CG2-CB 3.79Å; T106-C122 WeakPolarHBondContact CG2-O 3.33Å; T106-P124 HydrophobicContact CG2-CG 4.17Å; T106-I141 HydrophobicContact CG2-CD1 4.21Å; T106-I141 HydrophobicContact CG2-CG1 4.27Å; T106-I141 HydrophobicContact CG2-CG2 3.93Å
107S93.9Very high92.3Very high26 Ų2638.7 Ų38.718%0.18217%0.172CC..Hα-helixtrans-66.9-32.6176.777.70000112.9R40 F103 F104 L105 E110 D111R40-S107 VanDerWaalsContact CZ-OG 3.31Å; R40-S107 PolarHBondContact NH1-OG 3.49Å; R40-S107 VanDerWaalsContact NH2-C 3.26Å; R40-S107 PolarHBondContact NH2-O 2.86Å; R40-S107 PolarHBondContact NH2-OG 2.81Å; F103-S107 PolarHBondContact O-N 2.94Å; F104-S107 WeakPolarHBondContact O-CA 3.33Å; F104-S107 WeakPolarHBondContact O-CB 3.49Å; F104-S107 PolarHBondContact O-N 3.11Å; F104-S107 PolarHBondContact O-OG 3.19Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 2.62Å; S107-E110 WeakPolarHBondContact O-CB 3.49Å; S107-E110 PolarHBondContact O-N 3.38Å; S107-D111 VanDerWaalsContact O-CG 3.23Å; S107-D111 PolarHBondContact O-N 2.86Å; S107-D111 VanDerWaalsContact O-N 3.08Å
108L92.2Very high92.6Very high8 Ų840.8 Ų40.84%0.04219%0.191CC..Hα-helixtrans-69.5-40.5174.2-65.9175.4000111.7R40 M41 F104 L105 T106 E110 D111 A112 F176R40-L108 HydrophobicContact CB-CD2 3.96Å; M41-L108 HydrophobicContact CG-CD1 3.59Å; M41-L108 HydrophobicContact CG-CD2 4.46Å; M41-L108 HydrophobicContact SD-CD1 3.46Å; M41-L108 WeakPolarHBondContact SD-CD1 3.39Å; F104-L108 HydrophobicContact CD1-CD1 4.02Å; F104-L108 HydrophobicContact CD1-CG 4.48Å; F104-L108 HydrophobicContact CE1-CD1 3.52Å; F104-L108 HydrophobicContact CE1-CD2 4.5Å; F104-L108 HydrophobicContact CE1-CG 4.13Å; F104-L108 HydrophobicContact CE2-CD2 4.32Å; F104-L108 HydrophobicContact CE2-CG 4.43Å; F104-L108 HydrophobicContact CZ-CD1 3.88Å; F104-L108 HydrophobicContact CZ-CD2 4.01Å; F104-L108 HydrophobicContact CZ-CG 4.09Å; F104-L108 PolarHBondContact O-N 3.5Å; L105-L108 WeakPolarHBondContact O-CB 3.44Å; L105-L108 PolarHBondContact O-N 3.02Å; L105-L108 VanDerWaalsContact O-N 3.14Å; T106-L108 VanDerWaalsContact C-N 3.33Å; T106-L108 PolarHBondContact O-N 3.43Å; L108-E110 VanDerWaalsContact C-N 3.31Å; L108-D111 WeakPolarHBondContact O-CB 3.35Å; L108-D111 PolarHBondContact O-N 3.34Å; L108-A112 PolarHBondContact O-N 2.73Å; L108-F176 HydrophobicContact CB-CE2 3.74Å; L108-F176 HydrophobicContact CB-CZ 3.9Å
109I94.5Very high92.7Very high0 Ų045.5 Ų45.50%021%0.213CC..Hα-helixtrans-63.4-42.1174.1-72.5168.6000109.8L105 T106 D111 A112 V113 I141 L172 F176 C204 L206L105-I109 HydrophobicContact CD1-CD1 4.11Å; L105-I109 HydrophobicContact CD1-CG1 4.33Å; L105-I109 HydrophobicContact CG-CD1 4.15Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 3.41Å; T106-I109 PolarHBondContact O-N 2.9Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-D111 PolarHBondContact O-N 3.33Å; I109-A112 WeakPolarHBondContact O-CB 3.23Å; I109-A112 PolarHBondContact O-N 3.48Å; I109-A112 VanDerWaalsContact O-N 3.08Å; I109-V113 HydrophobicContact CG2-CG2 4.26Å; I109-V113 WeakPolarHBondContact O-CG2 3.35Å; I109-V113 PolarHBondContact O-N 3.38Å; I109-I141 HydrophobicContact CD1-CD1 3.41Å; I109-I141 VanDerWaalsContact CD1-CD1 3.41Å; I109-I141 HydrophobicContact CG2-CD1 4.44Å; I109-L172 HydrophobicContact CG2-CD2 4.39Å; I109-F176 HydrophobicContact CG1-CE1 4.12Å; I109-F176 HydrophobicContact CG1-CE2 4.17Å; I109-F176 HydrophobicContact CG1-CZ 3.78Å; I109-C204 HydrophobicContact CD1-CB 4.47Å; I109-L206 HydrophobicContact CG2-CD2 3.75Å
110E95Very high92.8Very high28 Ų2842.6 Ų42.613%0.13120%0.198CC..Hα-helixtrans-57.2-44.4175.2-167.8174.687.900112.1T106 S107 L108 A112 V113 R114 I121 C122T106-E110 WeakPolarHBondContact O-CB 3.41Å; T106-E110 PolarHBondContact O-N 3.45Å; S107-E110 WeakPolarHBondContact O-CB 3.49Å; S107-E110 PolarHBondContact O-N 3.38Å; L108-E110 VanDerWaalsContact C-N 3.31Å; E110-A112 PolarHBondContact O-N 2.87Å; E110-V113 PolarHBondContact O-N 3.15Å; E110-R114 HydrophobicContact CG-CG 4.49Å; E110-R114 VanDerWaalsContact CG-CZ 3.49Å; E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 WeakPolarHBondContact O-CG 3.39Å; E110-R114 PolarHBondContact O-N 3.48Å; E110-R114 IonicContact OE1-CZ 3.5Å; E110-R114 IonicContact OE1-NH1 3.75Å; E110-R114 PolarHBondContact OE1-NH1 2.63Å; E110-R114 IonicContact OE1-NH2 2.61Å; E110-R114 PolarHBondContact OE1-NH2 3.49Å; E110-R114 IonicContact OE2-NH2 2.64Å; E110-I121 WeakPolarHBondContact OE2-CA 3.26Å; E110-I121 WeakPolarHBondContact OE2-CG2 3.32Å; E110-C122 HydrophobicContact CB-CB 3.88Å; E110-C122 HydrophobicContact CG-CB 4.12Å; E110-C122 PolarHBondContact OE2-N 3.02Å
111D91.8Very high93Very high50 Ų5039.1 Ų39.127%0.26719%0.187SC..Hα-helixtrans-57.5-39.6175.6-64.9-27.6000111.3R40 S107 L108 I109 R115R40-D111 IonicContact CZ-OD2 3.01Å; R40-D111 IonicContact NE-OD2 2.96Å; R40-D111 PolarHBondContact NE-OD2 2.95Å; R40-D111 IonicContact NH2-OD1 2.68Å; R40-D111 IonicContact NH2-OD2 3.53Å; R40-D111 PolarHBondContact NH2-OD2 3.28Å; S107-D111 VanDerWaalsContact O-CG 3.23Å; S107-D111 PolarHBondContact O-N 2.86Å; S107-D111 VanDerWaalsContact O-N 3.08Å; L108-D111 WeakPolarHBondContact O-CB 3.35Å; L108-D111 PolarHBondContact O-N 3.34Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-D111 PolarHBondContact O-N 3.33Å; D111-R115 PolarHBondContact O-NH1 2.87Å
112A92.1Very high93.4Very high0 Ų039.2 Ų39.20%019%0.188CC..Hα-helixtrans-69.4-45.2176.700000112.4W37 L108 I109 E110 R114 R115 L172 F176W37-A112 HydrophobicContact CH2-CB 3.86Å; W37-A112 HydrophobicContact CZ2-CB 4.25Å; L108-A112 PolarHBondContact O-N 2.73Å; I109-A112 WeakPolarHBondContact O-CB 3.23Å; I109-A112 PolarHBondContact O-N 3.48Å; I109-A112 VanDerWaalsContact O-N 3.08Å; E110-A112 PolarHBondContact O-N 2.87Å; A112-R114 VanDerWaalsContact C-N 3.32Å; A112-R114 PolarHBondContact O-N 2.91Å; A112-R115 WeakPolarHBondContact O-CB 3.37Å; A112-R115 PolarHBondContact O-N 3.11Å; A112-L172 HydrophobicContact CB-CD2 3.86Å; A112-F176 HydrophobicContact CB-CD2 4.24Å
113V94.2Very high93.5Very high2 Ų243.3 Ų43.31%0.01220%0.203CC..Hα-helixtrans-64.1-37.4179179.10000111.4I109 E110 R115 L116 F117 S120 V143 I168I109-V113 HydrophobicContact CG2-CG2 4.26Å; I109-V113 WeakPolarHBondContact O-CG2 3.35Å; I109-V113 PolarHBondContact O-N 3.38Å; E110-V113 PolarHBondContact O-N 3.15Å; V113-R115 PolarHBondContact O-N 3.44Å; V113-R115 VanDerWaalsContact O-N 3.15Å; V113-L116 PolarHBondContact O-N 3.11Å; V113-F117 HydrophobicContact CG1-CD2 4.24Å; V113-F117 PolarHBondContact O-N 3.06Å; V113-S120 WeakPolarHBondContact CG1-OG 3.37Å; V113-V143 HydrophobicContact CG1-CG1 3.96Å; V113-I168 HydrophobicContact CG1-CD1 4.13Å; V113-I168 HydrophobicContact CG1-CG1 4.33Å; V113-I168 HydrophobicContact CG2-CG2 4.02Å
114R93.1Very high93.6Very high86 Ų8639.1 Ų39.133%0.32519%0.186SC..Hα-helixtrans-61.4-22.2179-80.7-173.7179.2125.97.1115E110 A112 L116 F117 P118 S120E110-R114 HydrophobicContact CG-CG 4.49Å; E110-R114 VanDerWaalsContact CG-CZ 3.49Å; E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 WeakPolarHBondContact O-CG 3.39Å; E110-R114 PolarHBondContact O-N 3.48Å; E110-R114 IonicContact OE1-CZ 3.5Å; E110-R114 IonicContact OE1-NH1 3.75Å; E110-R114 PolarHBondContact OE1-NH1 2.63Å; E110-R114 IonicContact OE1-NH2 2.61Å; E110-R114 PolarHBondContact OE1-NH2 3.49Å; E110-R114 IonicContact OE2-NH2 2.64Å; A112-R114 VanDerWaalsContact C-N 3.32Å; A112-R114 PolarHBondContact O-N 2.91Å; R114-L116 VanDerWaalsContact C-N 3.28Å; R114-L116 PolarHBondContact O-N 3.14Å; R114-F117 WeakPolarHBondContact CA-O 3.29Å; R114-F117 CarbonylContact O-C 3.34Å; R114-F117 PolarHBondContact O-N 2.82Å; R114-P118 VanDerWaalsContact O-CA 3.23Å; R114-P118 WeakPolarHBondContact O-CA 3.31Å; R114-S120 WeakPolarHBondContact CG-OG 3.28Å; R114-S120 PolarHBondContact NE-O 3.15Å; R114-S120 PolarHBondContact NH2-O 2.77Å
115R89.1Confident93.8Very high128 Ų12837.8 Ų37.848%0.48318%0.18SC..THydrogen-bonded Turntrans-67.8-30.9175.1-70.7164.1165.887.2-8.5112.3W37 D111 A112 V113W37-R115 VanDerWaalsContact CE2-NH2 3.3Å; W37-R115 VanDerWaalsContact CZ3-CZ 3.49Å; D111-R115 PolarHBondContact O-NH1 2.87Å; A112-R115 WeakPolarHBondContact O-CB 3.37Å; A112-R115 PolarHBondContact O-N 3.11Å; V113-R115 PolarHBondContact O-N 3.44Å; V113-R115 VanDerWaalsContact O-N 3.15Å
116L91.8Very high93.9Very high46 Ų4638.4 Ų38.424%0.24119%0.187CC..THydrogen-bonded Turntrans-87.3-40.9171.1-65.9-179.7000111.6V113 R114 A167 V171V113-L116 PolarHBondContact O-N 3.11Å; R114-L116 VanDerWaalsContact C-N 3.28Å; R114-L116 PolarHBondContact O-N 3.14Å; L116-A167 HydrophobicContact CD1-CB 4.29Å; L116-V171 HydrophobicContact CD1-CB 4.07Å; L116-V171 HydrophobicContact CD1-CG2 3.56Å; L116-V171 HydrophobicContact CD2-CG2 3.85Å; L116-V171 HydrophobicContact CG-CG2 3.79Å
117F93.2Very high93.8Very high56 Ų5639.4 Ų39.425%0.24619%0.193CC..  trans-130.385.8-171.8-57-76.1000110V113 R114 Q119 S120 L145 T164 I168V113-F117 HydrophobicContact CG1-CD2 4.24Å; V113-F117 PolarHBondContact O-N 3.06Å; R114-F117 WeakPolarHBondContact CA-O 3.29Å; R114-F117 CarbonylContact O-C 3.34Å; R114-F117 PolarHBondContact O-N 2.82Å; F117-Q119 PolarHBondContact O-N 3.12Å; F117-S120 WeakPolarHBondContact O-CB 3.5Å; F117-S120 PolarHBondContact O-N 3.36Å; F117-S120 PolarHBondContact O-OG 3.47Å; F117-L145 HydrophobicContact CB-CD2 3.94Å; F117-L145 HydrophobicContact CD1-CD1 4.26Å; F117-L145 HydrophobicContact CD1-CD2 4.14Å; F117-L145 HydrophobicContact CD2-CD2 3.71Å; F117-L145 HydrophobicContact CE1-CD1 4.23Å; F117-L145 HydrophobicContact CE2-CD2 4.24Å; F117-L145 HydrophobicContact CG-CD2 3.66Å; F117-T164 HydrophobicContact CE2-CG2 3.95Å; F117-T164 HydrophobicContact CZ-CG2 3.83Å; F117-I168 HydrophobicContact CD2-CG1 4.46Å; F117-I168 HydrophobicContact CE2-CD1 4.36Å; F117-I168 HydrophobicContact CE2-CG1 4.04Å
118P92.8Very high93.8Very high103 Ų10338.6 Ų38.667%0.66919%0.187SC*.THydrogen-bonded Turntrans-55.7-30-170.2-30.136.5000115.5R114 S120R114-P118 VanDerWaalsContact O-CA 3.23Å; R114-P118 WeakPolarHBondContact O-CA 3.31Å; P118-S120 VanDerWaalsContact C-N 3.32Å
119Q92.9Very high94Very high99 Ų9940.3 Ų40.346%0.46320%0.198SC..THydrogen-bonded Turntrans-87.71.5179.6-64.4-177.4-13.900113.7F117 L145 N146 P147F117-Q119 PolarHBondContact O-N 3.12Å; Q119-L145 CarbonylContact C-O 3.59Å; Q119-N146 PolarHBondContact OE1-OD1 3.18Å; Q119-P147 WeakPolarHBondContact O-CD 3.46Å
120S94.9Very high94Very high0 Ų040.7 Ų40.70%020%0.2CC..  trans-69.9150.6-175.162.80000113.4V113 R114 F117 P118 Q144 L145V113-S120 WeakPolarHBondContact CG1-OG 3.37Å; R114-S120 WeakPolarHBondContact CG-OG 3.28Å; R114-S120 PolarHBondContact NE-O 3.15Å; R114-S120 PolarHBondContact NH2-O 2.77Å; F117-S120 WeakPolarHBondContact O-CB 3.5Å; F117-S120 PolarHBondContact O-N 3.36Å; F117-S120 PolarHBondContact O-OG 3.47Å; P118-S120 VanDerWaalsContact C-N 3.32Å; S120-Q144 CarbonylContact C-O 3.6Å; S120-Q144 WeakPolarHBondContact CA-O 3.43Å; S120-Q144 WeakPolarHBondContact CB-O 3.46Å; S120-L145 WeakPolarHBondContact CA-O 3.02Å; S120-L145 PolarHBondContact N-O 3.01Å
121I95.3Very high94Very high37 Ų3740.7 Ų40.719%0.1921%0.207CC..EExtended strand (participates in β ladder)trans-131.2132.6173.5-56.3-178.9000108.2E110 R123 Q144 P147E110-I121 WeakPolarHBondContact OE2-CA 3.26Å; E110-I121 WeakPolarHBondContact OE2-CG2 3.32Å; I121-R123 HydrophobicContact CG2-CG 3.91Å; I121-Q144 PolarHBondContact N-O 2.96Å; I121-Q144 PolarHBondContact O-N 2.96Å; I121-P147 HydrophobicContact CD1-CB 3.94Å; I121-P147 HydrophobicContact CD1-CG 3.63Å; I121-P147 HydrophobicContact CG1-CG 4.07Å
122C96.8Very high94.2Very high6 Ų638.3 Ų38.34%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-108.6127172.3-61.70000108.8T106 E110 I141 N142T106-C122 HydrophobicContact CG2-CB 3.79Å; T106-C122 WeakPolarHBondContact CG2-O 3.33Å; E110-C122 HydrophobicContact CB-CB 3.88Å; E110-C122 HydrophobicContact CG-CB 4.12Å; E110-C122 PolarHBondContact OE2-N 3.02Å; C122-I141 HydrophobicContact CB-CG2 3.74Å; C122-N142 WeakPolarHBondContact CA-O 3.34Å
123R96.2Very high94.4Very high92 Ų9238.6 Ų38.635%0.34720%0.197SC..EExtended strand (participates in β ladder)trans-124.4134.8177.7-63.3-168.5176.296.3-2.2110.8I121 F125 I141 N142I121-R123 HydrophobicContact CG2-CG 3.91Å; R123-F125 PolarHBondContact O-N 3.39Å; R123-I141 WeakPolarHBondContact O-CA 3.27Å; R123-N142 PolarHBondContact N-O 3.05Å; R123-N142 PolarHBondContact O-N 3.4Å
124P96.7Very high94.4Very high11 Ų1138.9 Ų38.97%0.07120%0.198CC..EExtended strand (participates in β ladder)trans-57.8140166.3-18.931.4000109.9F103 T106 T128 V129 L139 D140F103-P124 HydrophobicContact CD1-CG 3.76Å; F103-P124 HydrophobicContact CE1-CG 3.72Å; F103-P124 HydrophobicContact CG-CG 4.25Å; F103-P124 HydrophobicContact CZ-CG 4.16Å; T106-P124 HydrophobicContact CG2-CG 4.17Å; P124-T128 HydrophobicContact CB-CG2 3.95Å; P124-V129 HydrophobicContact CB-CG1 3.98Å; P124-V129 WeakPolarHBondContact O-CG1 3.47Å; P124-L139 HydrophobicContact CB-CD1 4.03Å; P124-D140 CarbonylContact C-O 3.16Å; P124-D140 WeakPolarHBondContact CA-O 3.28Å
125F94.7Very high94.4Very high13 Ų1337.8 Ų37.86%0.05720%0.196CC..  trans-133.3-161.7168.376.7-76000110.1R123 D140 N142 T207 Y214R123-F125 PolarHBondContact O-N 3.39Å; F125-D140 VanDerWaalsContact CD1-C 3.41Å; F125-D140 HydrophobicContact CD1-CB 3.62Å; F125-D140 WeakPolarHBondContact CD1-O 3.46Å; F125-D140 HydrophobicContact CD2-CB 4.18Å; F125-D140 VanDerWaalsContact CE1-C 3.49Å; F125-D140 HydrophobicContact CE1-CB 3.4Å; F125-D140 VanDerWaalsContact CE1-CB 3.4Å; F125-D140 HydrophobicContact CE2-CB 3.96Å; F125-D140 HydrophobicContact CG-CB 4.02Å; F125-D140 HydrophobicContact CZ-CB 3.58Å; F125-D140 PolarHBondContact N-O 3.45Å; F125-N142 HydrophobicContact CD1-CB 3.77Å; F125-N142 HydrophobicContact CE1-CB 4.12Å; F125-N142 HydrophobicContact CG-CB 4.42Å; F125-T207 HydrophobicContact CZ-CG2 4.47Å; F125-Y214 HydrophobicContact CB-CD2 4.44Å
126G93.9Very high94.4Very high13 Ų1334.4 Ų34.413%0.13420%0.201CC..THydrogen-bonded Turntrans62.1-139.417400000112.7T128 V129 N130G126-T128 PolarHBondContact O-N 3.05Å; G126-V129 PolarHBondContact O-N 3.1Å; G126-N130 VanDerWaalsContact O-CB 3.24Å; G126-N130 WeakPolarHBondContact O-CB 3.46Å; G126-N130 PolarHBondContact O-N 2.9Å; G126-N130 PolarHBondContact O-ND2 2.9Å
127S94.2Very high94.3Very high23 Ų2333.6 Ų33.616%0.16120%0.199CC..Hα-helixtrans-60.1-32.7-17368.70000113.6V129 N130 A133 C137S127-V129 VanDerWaalsContact C-N 3.29Å; S127-V129 PolarHBondContact O-N 3.22Å; S127-N130 VanDerWaalsContact CA-OD1 3.31Å; S127-N130 WeakPolarHBondContact CA-OD1 3.36Å; S127-N130 PolarHBondContact O-OD1 2.99Å; S127-N130 VanDerWaalsContact O-OD1 3.1Å; S127-A133 VanDerWaalsContact O-CB 3.23Å; S127-A133 WeakPolarHBondContact O-CB 3.46Å; S127-A133 PolarHBondContact O-N 3.02Å; S127-A133 VanDerWaalsContact O-N 3.07Å; S127-C137 PolarHBondContact OG-SG 3.16Å; S127-C137 VanDerWaalsContact OG-SG 3.35Å
128T95.2Very high94.3Very high9 Ų934.1 Ų34.16%0.05520%0.204CC..Hα-helixtrans-61.4-36.6-177.9-61.20000112.1L99 R102 P124 G126 L139L99-T128 HydrophobicContact CD1-CG2 3.63Å; L99-T128 WeakPolarHBondContact CD1-O 3.28Å; R102-T128 HydrophobicContact CB-CG2 4.11Å; P124-T128 HydrophobicContact CB-CG2 3.95Å; G126-T128 PolarHBondContact O-N 3.05Å; T128-L139 HydrophobicContact CG2-CD1 4.18Å
129V95Very high94.5Very high44 Ų4429.2 Ų29.227%0.26717%0.172SC..Hα-helixtrans-111.4-19.2-175.6-53.80000113.7F103 P124 G126 S127 G131 A217F103-V129 HydrophobicContact CZ-CG1 4.34Å; P124-V129 HydrophobicContact CB-CG1 3.98Å; P124-V129 WeakPolarHBondContact O-CG1 3.47Å; G126-V129 PolarHBondContact O-N 3.1Å; S127-V129 VanDerWaalsContact C-N 3.29Å; S127-V129 PolarHBondContact O-N 3.22Å; V129-G131 PolarHBondContact O-N 3.05Å; V129-A217 HydrophobicContact CG2-CB 4.1Å
130N95.4Very high94.7Very high9 Ų926.2 Ų26.25%0.04816%0.159CC..Hα-helixtrans-76.3-4.7-179.174.612.1000114.1G126 S127 F132 A217 F220 W221 T224G126-N130 VanDerWaalsContact O-CB 3.24Å; G126-N130 WeakPolarHBondContact O-CB 3.46Å; G126-N130 PolarHBondContact O-N 2.9Å; G126-N130 PolarHBondContact O-ND2 2.9Å; S127-N130 VanDerWaalsContact CA-OD1 3.31Å; S127-N130 WeakPolarHBondContact CA-OD1 3.36Å; S127-N130 PolarHBondContact O-OD1 2.99Å; S127-N130 VanDerWaalsContact O-OD1 3.1Å; N130-F132 HydrophobicContact CB-CD2 4.48Å; N130-F132 VanDerWaalsContact OD1-CB 3.3Å; N130-F132 WeakPolarHBondContact OD1-CB 3.47Å; N130-F132 PolarHBondContact OD1-N 3.38Å; N130-A217 HydrophobicContact CB-CB 4.2Å; N130-A217 WeakPolarHBondContact CB-O 3.35Å; N130-F220 HydrophobicContact CB-CB 4.05Å; N130-W221 WeakPolarHBondContact O-CA 3.29Å; N130-W221 PolarHBondContact O-N 2.76Å; N130-T224 VanDerWaalsContact O-CG2 3.24Å; N130-T224 WeakPolarHBondContact O-CG2 3.19Å
131G94.8Very high94.8Very high27 Ų2726.2 Ų26.228%0.27816%0.159SC..THydrogen-bonded Turntrans87.36.6178.700000115.3V129V129-G131 PolarHBondContact O-N 3.05Å
132F96.6Very high94.9Very high0 Ų024.5 Ų24.50%015%0.151CC..  trans-115.512.4-177.6-53.4-49.6000115.1N130 Q134 F220 T224 I230 K231 L234 R238 I261N130-F132 HydrophobicContact CB-CD2 4.48Å; N130-F132 VanDerWaalsContact OD1-CB 3.3Å; N130-F132 WeakPolarHBondContact OD1-CB 3.47Å; N130-F132 PolarHBondContact OD1-N 3.38Å; F132-Q134 PolarHBondContact O-N 3.45Å; F132-F220 HydrophobicContact CD2-CB 4.48Å; F132-F220 HydrophobicContact CE2-CB 3.83Å; F132-F220 HydrophobicContact CE2-CG 4.17Å; F132-T224 HydrophobicContact CD1-CG2 4Å; F132-T224 HydrophobicContact CE1-CG2 3.36Å; F132-T224 HydrophobicContact CE2-CG2 4.18Å; F132-T224 HydrophobicContact CZ-CG2 3.46Å; F132-T224 VanDerWaalsContact CZ-CG2 3.46Å; F132-I230 HydrophobicContact CE1-CG1 4.23Å; F132-I230 HydrophobicContact CE1-CG2 4.03Å; F132-I230 HydrophobicContact CZ-CD1 3.9Å; F132-I230 HydrophobicContact CZ-CG1 4.09Å; F132-I230 HydrophobicContact CZ-CG2 4.2Å; F132-K231 HydrophobicContact CD1-CG 4.44Å; F132-K231 HydrophobicContact CE1-CG 4.24Å; F132-L234 HydrophobicContact CB-CD2 3.88Å; F132-L234 HydrophobicContact CD1-CD2 3.36Å; F132-L234 HydrophobicContact CD2-CD2 3.66Å; F132-L234 HydrophobicContact CE1-CD2 3.6Å; F132-L234 HydrophobicContact CE2-CD2 3.89Å; F132-L234 HydrophobicContact CG-CD2 3.37Å; F132-L234 HydrophobicContact CZ-CD2 3.86Å; F132-R238 PolarHBondContact O-NH1 3.14Å; F132-I261 HydrophobicContact CD2-CD1 4.24Å; F132-I261 HydrophobicContact CD2-CG2 4.09Å; F132-I261 HydrophobicContact CE2-CG2 3.74Å
133A95.4Very high94.8Very high6 Ų624.2 Ų24.25%0.0515%0.149CC..  trans-59.6131.5175.800000112.8I94 S127 F235I94-A133 HydrophobicContact CB-CB 4.07Å; I94-A133 HydrophobicContact CD1-CB 4.46Å; I94-A133 HydrophobicContact CG2-CB 3.62Å; I94-A133 PolarHBondContact N-O 3.47Å; S127-A133 VanDerWaalsContact O-CB 3.23Å; S127-A133 WeakPolarHBondContact O-CB 3.46Å; S127-A133 PolarHBondContact O-N 3.02Å; S127-A133 VanDerWaalsContact O-N 3.07Å; A133-F235 WeakPolarHBondContact O-CZ 3.44Å
134Q93.9Very high94.7Very high9 Ų921.9 Ų21.94%0.04214%0.142CC..BIsolated β-bridgetrans-108.8157.1172-77.5179.8-33.400109.7T92 F132 G136 C137 F235 R238 R242T92-Q134 CarbonylContact O-C 3.58Å; T92-Q134 WeakPolarHBondContact O-CA 3.34Å; F132-Q134 PolarHBondContact O-N 3.45Å; Q134-G136 PolarHBondContact O-N 3.29Å; Q134-C137 WeakPolarHBondContact O-CB 3.33Å; Q134-C137 PolarHBondContact O-N 3.15Å; Q134-C137 VanDerWaalsContact O-N 3.1Å; Q134-C137 PolarHBondContact O-SG 3.15Å; Q134-F235 HydrophobicContact CG-CD1 3.92Å; Q134-F235 HydrophobicContact CG-CE1 3.4Å; Q134-F235 VanDerWaalsContact CG-CE1 3.4Å; Q134-F235 HydrophobicContact CG-CE2 4.47Å; Q134-F235 HydrophobicContact CG-CZ 3.73Å; Q134-R238 VanDerWaalsContact OE1-CD 3.31Å; Q134-R242 VanDerWaalsContact OE1-NH2 3.16Å
135K92.7Very high94.5Very high62 Ų6222 Ų2227%0.2714%0.141SC..THydrogen-bonded Turntrans-51.1133.7165-72.5-177.9-177.2172.50110E64 V66 K91 T92 R93 C137E64-K135 HydrophobicContact CB-CB 4.47Å; E64-K135 HydrophobicContact CB-CG 4.24Å; E64-K135 CarbonylContact O-C 3.06Å; E64-K135 WeakPolarHBondContact O-CA 3.38Å; E64-K135 WeakPolarHBondContact O-CB 3.03Å; E64-K135 WeakPolarHBondContact OE2-CG 3.37Å; V66-K135 HydrophobicContact CG2-CB 3.69Å; V66-K135 HydrophobicContact CG2-CD 4.34Å; K91-K135 WeakPolarHBondContact O-CD 3.19Å; K91-K135 WeakPolarHBondContact O-CE 2.98Å; K91-K135 PolarHBondContact O-NZ 3.25Å; T92-K135 PolarHBondContact O-N 3.23Å; R93-K135 WeakPolarHBondContact O-CE 3.36Å; K135-C137 VanDerWaalsContact C-N 3.32Å; K135-C137 PolarHBondContact O-N 3.33Å
136G89Confident94.1Very high57 Ų5724.1 Ų24.159%0.58815%0.153SC*.THydrogen-bonded Turntrans75.25.8-177.300000116.3E64 Q134E64-G136 PolarHBondContact O-N 3.15Å; Q134-G136 PolarHBondContact O-N 3.29Å
137C91.6Very high93.4Very high29 Ų2925.9 Ų25.920%0.19616%0.163CC..  trans-74.9155.4175.876.30000112.5R102 S127 Q134 K135R102-C137 VanDerWaalsContact CZ-O 3.25Å; R102-C137 PolarHBondContact NH1-O 3.44Å; R102-C137 PolarHBondContact NH2-O 3.03Å; S127-C137 PolarHBondContact OG-SG 3.16Å; S127-C137 VanDerWaalsContact OG-SG 3.35Å; Q134-C137 WeakPolarHBondContact O-CB 3.33Å; Q134-C137 PolarHBondContact O-N 3.15Å; Q134-C137 VanDerWaalsContact O-N 3.1Å; Q134-C137 PolarHBondContact O-SG 3.15Å; K135-C137 VanDerWaalsContact C-N 3.32Å; K135-C137 PolarHBondContact O-N 3.33Å
138D93.3Very high92.6Very high68 Ų6831.2 Ų31.236%0.36419%0.189SC..  trans-65.6156.9176.4-59.4-29.2000112R102 S203R102-D138 VanDerWaalsContact NH1-C 3.31Å; R102-D138 PolarHBondContact NH1-O 3.4Å; D138-S203 VanDerWaalsContact OD1-CB 3.27Å; D138-S203 WeakPolarHBondContact OD1-CB 3.36Å
139L95.8Very high91.2Very high0 Ų032.9 Ų32.90%021%0.208CC..EExtended strand (participates in β ladder)trans-102.8101.4172.2173.155.5000109.6R102 L105 P124 T128 I141 I202 S203 C204 D205R102-L139 HydrophobicContact CB-CD1 3.94Å; R102-L139 HydrophobicContact CB-CD2 3.99Å; R102-L139 HydrophobicContact CG-CD1 4.24Å; R102-L139 HydrophobicContact CG-CD2 4.18Å; L105-L139 HydrophobicContact CB-CD2 4.25Å; L105-L139 HydrophobicContact CD2-CD2 4.05Å; L105-L139 HydrophobicContact CG-CD2 4.18Å; P124-L139 HydrophobicContact CB-CD1 4.03Å; T128-L139 HydrophobicContact CG2-CD1 4.18Å; L139-I141 HydrophobicContact CD1-CG1 4.34Å; L139-I141 HydrophobicContact CD2-CD1 4.11Å; L139-I141 HydrophobicContact CD2-CG1 4.36Å; L139-I141 HydrophobicContact CG-CD1 4.12Å; L139-I141 HydrophobicContact CG-CG1 3.89Å; L139-I202 HydrophobicContact CB-CG2 3.68Å; L139-I202 HydrophobicContact CD2-CG2 4.27Å; L139-S203 PolarHBondContact N-O 3.22Å; L139-C204 CarbonylContact O-C 3.34Å; L139-C204 VanDerWaalsContact O-CA 3.25Å; L139-C204 WeakPolarHBondContact O-CA 3.35Å; L139-D205 PolarHBondContact O-N 3.09Å
140D96.8Very high89.7Confident35 Ų3537 Ų3719%0.18723%0.228CC..EExtended strand (participates in β ladder)trans-77.6126.7173.5-50.8-79.5000110.5P124 F125 D205P124-D140 CarbonylContact C-O 3.16Å; P124-D140 WeakPolarHBondContact CA-O 3.28Å; F125-D140 VanDerWaalsContact CD1-C 3.41Å; F125-D140 HydrophobicContact CD1-CB 3.62Å; F125-D140 WeakPolarHBondContact CD1-O 3.46Å; F125-D140 HydrophobicContact CD2-CB 4.18Å; F125-D140 VanDerWaalsContact CE1-C 3.49Å; F125-D140 HydrophobicContact CE1-CB 3.4Å; F125-D140 VanDerWaalsContact CE1-CB 3.4Å; F125-D140 HydrophobicContact CE2-CB 3.96Å; F125-D140 HydrophobicContact CG-CB 4.02Å; F125-D140 HydrophobicContact CZ-CB 3.58Å; F125-D140 PolarHBondContact N-O 3.45Å; D140-D205 CarbonylContact C-O 3.57Å; D140-D205 WeakPolarHBondContact CA-O 3.43Å
141I97.6Very high88.1Confident0 Ų042.2 Ų42.20%025%0.251CS..EExtended strand (participates in β ladder)trans-123.3124.6-179.6-58.4174.1000110.1T106 I109 C122 R123 L139 C204 D205 L206 T207T106-I141 HydrophobicContact CG2-CD1 4.21Å; T106-I141 HydrophobicContact CG2-CG1 4.27Å; T106-I141 HydrophobicContact CG2-CG2 3.93Å; I109-I141 HydrophobicContact CD1-CD1 3.41Å; I109-I141 VanDerWaalsContact CD1-CD1 3.41Å; I109-I141 HydrophobicContact CG2-CD1 4.44Å; C122-I141 HydrophobicContact CB-CG2 3.74Å; R123-I141 WeakPolarHBondContact O-CA 3.27Å; L139-I141 HydrophobicContact CD1-CG1 4.34Å; L139-I141 HydrophobicContact CD2-CD1 4.11Å; L139-I141 HydrophobicContact CD2-CG1 4.36Å; L139-I141 HydrophobicContact CG-CD1 4.12Å; L139-I141 HydrophobicContact CG-CG1 3.89Å; I141-C204 HydrophobicContact CD1-CB 4.45Å; I141-D205 PolarHBondContact N-O 3.07Å; I141-L206 HydrophobicContact CB-CG 4.2Å; I141-L206 HydrophobicContact CD1-CD1 4.46Å; I141-L206 WeakPolarHBondContact O-CA 3.32Å; I141-T207 PolarHBondContact O-N 3.08Å
142N96.3Very high87Confident2 Ų248 Ų481%0.01127%0.265CS..EExtended strand (participates in β ladder)trans-98.1121.5173.2179.572.3000109.6C122 R123 F125 Q144 D209 N210C122-N142 WeakPolarHBondContact CA-O 3.34Å; R123-N142 PolarHBondContact N-O 3.05Å; R123-N142 PolarHBondContact O-N 3.4Å; F125-N142 HydrophobicContact CD1-CB 3.77Å; F125-N142 HydrophobicContact CE1-CB 4.12Å; F125-N142 HydrophobicContact CG-CB 4.42Å; N142-Q144 WeakPolarHBondContact ND2-CG 3.34Å; N142-D209 PolarHBondContact OD1-N 2.88Å; N142-N210 PolarHBondContact OD1-N 3.49Å
143V96.6Very high85.9Confident0 Ų058.5 Ų58.50%031%0.305CS..EExtended strand (participates in β ladder)trans-93128.3175.8-175.20000109.2V113 L145 I168 L206 T207 L208 D209V113-V143 HydrophobicContact CG1-CG1 3.96Å; V143-L145 HydrophobicContact CG1-CD2 3.87Å; V143-I168 HydrophobicContact CG1-CD1 4.11Å; V143-L206 HydrophobicContact CG2-CD2 4.42Å; V143-T207 PolarHBondContact N-O 3.19Å; V143-L208 HydrophobicContact CB-CD1 3.91Å; V143-L208 HydrophobicContact CG1-CD1 3.94Å; V143-D209 PolarHBondContact O-N 3.01Å
144Q94Very high85.2Confident43 Ų4359.7 Ų59.720%0.20131%0.312CS..EExtended strand (participates in β ladder)trans-117.9123.2170.1-66.6177.9-900107.8S120 I121 N142S120-Q144 CarbonylContact C-O 3.6Å; S120-Q144 WeakPolarHBondContact CA-O 3.43Å; S120-Q144 WeakPolarHBondContact CB-O 3.46Å; I121-Q144 PolarHBondContact N-O 2.96Å; I121-Q144 PolarHBondContact O-N 2.96Å; N142-Q144 WeakPolarHBondContact ND2-CG 3.34Å
145L92.3Very high84.8Confident12 Ų1266.5 Ų66.56%0.06335%0.354CS..SBendtrans-83-40.2-175.5-55.2177000112.9F117 Q119 S120 V143 Y160 T164 L208F117-L145 HydrophobicContact CB-CD2 3.94Å; F117-L145 HydrophobicContact CD1-CD1 4.26Å; F117-L145 HydrophobicContact CD1-CD2 4.14Å; F117-L145 HydrophobicContact CD2-CD2 3.71Å; F117-L145 HydrophobicContact CE1-CD1 4.23Å; F117-L145 HydrophobicContact CE2-CD2 4.24Å; F117-L145 HydrophobicContact CG-CD2 3.66Å; Q119-L145 CarbonylContact C-O 3.59Å; S120-L145 WeakPolarHBondContact CA-O 3.02Å; S120-L145 PolarHBondContact N-O 3.01Å; V143-L145 HydrophobicContact CG1-CD2 3.87Å; L145-Y160 HydrophobicContact CD1-CE1 4.42Å; L145-Y160 VanDerWaalsContact CD1-OH 3.24Å; L145-Y160 WeakPolarHBondContact CD1-OH 3.18Å; L145-T164 HydrophobicContact CD1-CG2 3.63Å; L145-T164 HydrophobicContact CD2-CG2 4.25Å; L145-T164 HydrophobicContact CG-CG2 4.47Å; L145-L208 HydrophobicContact CD1-CD1 4.21Å; L145-L208 HydrophobicContact CD1-CD2 4.46Å; L145-L208 HydrophobicContact CD2-CD1 4.03Å; L145-L208 HydrophobicContact CG-CD1 3.9Å
146N86Confident84.8Confident58 Ų5867.9 Ų67.931%0.3137%0.365SS..  trans-132.583.1-177.4-62.8-35000109.8Q119 D148 L150Q119-N146 PolarHBondContact OE1-OD1 3.18Å; N146-D148 VanDerWaalsContact C-N 3.25Å; N146-D148 PolarHBondContact O-N 3.01Å; N146-L150 PolarHBondContact ND2-O 3.39Å
147P78Confident84.9Confident50 Ų5071.5 Ų71.533%0.32537%0.366SS..THydrogen-bonded Turntrans-64.6-29.3-178.827.7-35.9000112.8Q119 I121 G149Q119-P147 WeakPolarHBondContact O-CD 3.46Å; I121-P147 HydrophobicContact CD1-CB 3.94Å; I121-P147 HydrophobicContact CD1-CG 3.63Å; I121-P147 HydrophobicContact CG1-CG 4.07Å; P147-G149 PolarHBondContact O-N 3.29Å; P147-G149 VanDerWaalsContact O-N 3.12Å
148D78.8Confident84.9Confident135 Ų13575.2 Ų75.272%0.72238%0.376SS*.THydrogen-bonded Turntrans-76.65.8-175.5-60.6-26.9000114.1N146 L150N146-D148 VanDerWaalsContact C-N 3.25Å; N146-D148 PolarHBondContact O-N 3.01Å; D148-L150 PolarHBondContact O-N 3.04Å
149G66.1Low85Confident44 Ų4473.9 Ų73.945%0.45437%0.372SS..SBendtrans82.26.216800000115.6P147 K151P147-G149 PolarHBondContact O-N 3.29Å; P147-G149 VanDerWaalsContact O-N 3.12Å; G149-K151 PolarHBondContact O-N 3.4Å
150L63Low84.9Confident132 Ų13276.7 Ų76.769%0.69138%0.383SS*.  trans-66.367156.9-64.1178.8000108.6N146 D148 Y152N146-L150 PolarHBondContact ND2-O 3.39Å; D148-L150 PolarHBondContact O-N 3.04Å; L150-Y152 PolarHBondContact O-N 2.85Å
151K62.3Low84.7Confident118 Ų11876.6 Ų76.651%0.51338%0.382SS..  trans-72.896.2-178.8-69.2-176.1-176-177.50106.5G149 R153 R211G149-K151 PolarHBondContact O-N 3.4Å; K151-R153 PolarHBondContact O-N 2.53Å; K151-R211 VanDerWaalsContact NZ-NH2 3.17Å
152Y71.7Confident84.7Confident148 Ų14878.4 Ų78.458%0.5839%0.39SS*.  trans-49.1115.1152.2177.8-104.6000106.6L150 P154 Y160L150-Y152 PolarHBondContact O-N 2.85Å; Y152-P154 HydrophobicContact CD1-CB 4.28Å; Y152-P154 HydrophobicContact CE1-CB 3.76Å; Y152-P154 WeakPolarHBondContact O-CD 3.35Å; Y152-Y160 HydrophobicContact CD1-CD2 4.16Å; Y152-Y160 AromaticContact CD1-CE2 3.7Å; Y152-Y160 HydrophobicContact CD1-CE2 3.7Å; Y152-Y160 AromaticContact CE1-CD2 3.87Å; Y152-Y160 HydrophobicContact CE1-CD2 3.87Å; Y152-Y160 AromaticContact CE1-CE2 3.81Å; Y152-Y160 HydrophobicContact CE1-CE2 3.81Å
153R72.7Confident84.7Confident220 Ų22083.6 Ų83.683%0.8342%0.415SS*.  trans-9596176-71.4-173.7-176.8-175.40.6106.5K151K151-R153 PolarHBondContact O-N 2.53Å
154P81.9Confident84.6Confident31 Ų3184 Ų8420%0.20142%0.418CS..  trans-60.1146.4175.627.2-36000109.7Y152 N156 E157 Y160Y152-P154 HydrophobicContact CD1-CB 4.28Å; Y152-P154 HydrophobicContact CE1-CB 3.76Å; Y152-P154 WeakPolarHBondContact O-CD 3.35Å; P154-N156 PolarHBondContact O-N 3.46Å; P154-E157 HydrophobicContact CG-CB 4.34Å; P154-Y160 VanDerWaalsContact CB-CB 3.49Å; P154-Y160 HydrophobicContact CB-CD1 4.35Å; P154-Y160 HydrophobicContact CB-CD2 4.1Å; P154-Y160 HydrophobicContact CB-CG 3.73Å; P154-Y160 HydrophobicContact CG-CD1 3.83Å; P154-Y160 HydrophobicContact CG-CD2 4.44Å; P154-Y160 HydrophobicContact CG-CG 3.73Å
155T85.4Confident84.8Confident153 Ų15382 Ų8294%0.93941%0.408SS*.SBendtrans-62.6-33.517248.40000111.7
156N91.9Very high85Confident90 Ų9082.1 Ų82.148%0.48141%0.41SS..SBendtrans-127.8100.7173.5-174.9-30.6000109.8P154 R158 S159 Y160P154-N156 PolarHBondContact O-N 3.46Å; N156-R158 VanDerWaalsContact C-N 3.33Å; N156-R158 PolarHBondContact O-N 2.91Å; N156-R158 PolarHBondContact OD1-N 3.09Å; N156-R158 VanDerWaalsContact OD1-N 3.14Å; N156-S159 PolarHBondContact O-N 2.86Å; N156-S159 PolarHBondContact OD1-N 3.12Å; N156-Y160 WeakPolarHBondContact O-CB 3.38Å; N156-Y160 PolarHBondContact O-N 3.38Å
157E90.6Very high85.6Confident133 Ų13379.6 Ų79.662%0.62140%0.397SS*.Hα-helixtrans-58.6-41.5-179.5-176.1173.1-152.200112.6P154 Y160 I161P154-E157 HydrophobicContact CG-CB 4.34Å; E157-Y160 PolarHBondContact O-N 3.18Å; E157-I161 HydrophobicContact CG-CD1 3.82Å; E157-I161 HydrophobicContact CG-CG1 4.46Å; E157-I161 VanDerWaalsContact O-CG1 3.25Å; E157-I161 WeakPolarHBondContact O-CG1 3.49Å; E157-I161 PolarHBondContact O-N 3.22Å
158R92.5Very high86.4Confident108 Ų10877.2 Ų77.241%0.40838%0.382SS..Hα-helixtrans-63-50.3179.6-176.4175.5-176.384.81.3111.4N156 Y160 I161 Q162 N187 A188N156-R158 VanDerWaalsContact C-N 3.33Å; N156-R158 PolarHBondContact O-N 2.91Å; N156-R158 PolarHBondContact OD1-N 3.09Å; N156-R158 VanDerWaalsContact OD1-N 3.14Å; R158-Y160 VanDerWaalsContact C-N 3.3Å; R158-Y160 PolarHBondContact O-N 3.48Å; R158-I161 PolarHBondContact O-N 2.85Å; R158-Q162 HydrophobicContact CG-CG 4.47Å; R158-Q162 VanDerWaalsContact O-CG 3.27Å; R158-Q162 WeakPolarHBondContact O-CG 3.38Å; R158-Q162 PolarHBondContact O-N 3.01Å; R158-N187 PolarHBondContact NH2-O 3.35Å; R158-A188 PolarHBondContact NH1-O 2.84Å; R158-A188 PolarHBondContact NH2-O 2.97Å
159S94.4Very high87.3Confident39 Ų3970.8 Ų70.827%0.27335%0.347SS..Hα-helixtrans-62.6-40.1179.6-168.70000111.3N156 Q162 Q163N156-S159 PolarHBondContact O-N 2.86Å; N156-S159 PolarHBondContact OD1-N 3.12Å; S159-Q162 PolarHBondContact O-N 3.48Å; S159-Q163 WeakPolarHBondContact O-CB 3.32Å; S159-Q163 VanDerWaalsContact O-CG 3.27Å; S159-Q163 WeakPolarHBondContact O-CG 3.36Å; S159-Q163 PolarHBondContact O-N 2.95Å; S159-Q163 PolarHBondContact OG-NE2 3.1Å
160Y93.4Very high88.7Confident60 Ų6069.2 Ų69.224%0.23533%0.329CS..Hα-helixtrans-59.9-47.5174.5174.1-102000112.7L145 Y152 P154 N156 E157 R158 Q162 T164 L208L145-Y160 HydrophobicContact CD1-CE1 4.42Å; L145-Y160 VanDerWaalsContact CD1-OH 3.24Å; L145-Y160 WeakPolarHBondContact CD1-OH 3.18Å; Y152-Y160 HydrophobicContact CD1-CD2 4.16Å; Y152-Y160 AromaticContact CD1-CE2 3.7Å; Y152-Y160 HydrophobicContact CD1-CE2 3.7Å; Y152-Y160 AromaticContact CE1-CD2 3.87Å; Y152-Y160 HydrophobicContact CE1-CD2 3.87Å; Y152-Y160 AromaticContact CE1-CE2 3.81Å; Y152-Y160 HydrophobicContact CE1-CE2 3.81Å; P154-Y160 VanDerWaalsContact CB-CB 3.49Å; P154-Y160 HydrophobicContact CB-CD1 4.35Å; P154-Y160 HydrophobicContact CB-CD2 4.1Å; P154-Y160 HydrophobicContact CB-CG 3.73Å; P154-Y160 HydrophobicContact CG-CD1 3.83Å; P154-Y160 HydrophobicContact CG-CD2 4.44Å; P154-Y160 HydrophobicContact CG-CG 3.73Å; N156-Y160 WeakPolarHBondContact O-CB 3.38Å; N156-Y160 PolarHBondContact O-N 3.38Å; E157-Y160 PolarHBondContact O-N 3.18Å; R158-Y160 VanDerWaalsContact C-N 3.3Å; R158-Y160 PolarHBondContact O-N 3.48Å; Y160-Q162 PolarHBondContact O-N 3.35Å; Y160-T164 VanDerWaalsContact O-CB 3.28Å; Y160-T164 WeakPolarHBondContact O-CB 3.34Å; Y160-T164 PolarHBondContact O-N 2.81Å; Y160-T164 PolarHBondContact O-OG1 2.54Å; Y160-L208 HydrophobicContact CE1-CD2 4.31Å
161I94.4Very high90.1Very high33 Ų3363.3 Ų63.317%0.16930%0.299CS..Hα-helixtrans-59.4-48.3176.2-70.3163.4000110.3E157 R158 T164 L165 P191 L208E157-I161 HydrophobicContact CG-CD1 3.82Å; E157-I161 HydrophobicContact CG-CG1 4.46Å; E157-I161 VanDerWaalsContact O-CG1 3.25Å; E157-I161 WeakPolarHBondContact O-CG1 3.49Å; E157-I161 PolarHBondContact O-N 3.22Å; R158-I161 PolarHBondContact O-N 2.85Å; I161-T164 PolarHBondContact O-N 2.99Å; I161-L165 HydrophobicContact CG2-CD1 3.78Å; I161-L165 WeakPolarHBondContact O-CB 3.18Å; I161-L165 WeakPolarHBondContact O-CG 3.32Å; I161-L165 PolarHBondContact O-N 3.28Å; I161-P191 HydrophobicContact CG2-CB 3.92Å; I161-P191 HydrophobicContact CG2-CG 3.86Å; I161-L208 HydrophobicContact CB-CD2 4.3Å; I161-L208 HydrophobicContact CG1-CD2 4Å; I161-L208 HydrophobicContact CG2-CB 4.17Å; I161-L208 HydrophobicContact CG2-CD2 4.4Å
162Q96.6Very high91.5Very high37 Ų3757.7 Ų57.717%0.17328%0.275CS..Hα-helixtrans-61.9-47.4-178.4-71.1176.1-42.800112R158 S159 Y160 C166 L186 N187 P191R158-Q162 HydrophobicContact CG-CG 4.47Å; R158-Q162 VanDerWaalsContact O-CG 3.27Å; R158-Q162 WeakPolarHBondContact O-CG 3.38Å; R158-Q162 PolarHBondContact O-N 3.01Å; S159-Q162 PolarHBondContact O-N 3.48Å; Y160-Q162 PolarHBondContact O-N 3.35Å; Q162-C166 VanDerWaalsContact O-CB 3.27Å; Q162-C166 WeakPolarHBondContact O-CB 3.37Å; Q162-C166 PolarHBondContact O-N 3.15Å; Q162-L186 HydrophobicContact CB-CB 4.38Å; Q162-L186 HydrophobicContact CG-CB 4.16Å; Q162-L186 WeakPolarHBondContact CG-O 3.49Å; Q162-L186 PolarHBondContact NE2-O 2.91Å; Q162-N187 PolarHBondContact NE2-OD1 3.23Å; Q162-P191 HydrophobicContact CG-CG 4.15Å
163Q95.8Very high92.5Very high111 Ų11155.8 Ų55.852%0.51927%0.271SS..Hα-helixtrans-65-43.5178.9-70.9177.744.500111.7S159 C166 A167S159-Q163 WeakPolarHBondContact O-CB 3.32Å; S159-Q163 VanDerWaalsContact O-CG 3.27Å; S159-Q163 WeakPolarHBondContact O-CG 3.36Å; S159-Q163 PolarHBondContact O-N 2.95Å; S159-Q163 PolarHBondContact OG-NE2 3.1Å; Q163-C166 WeakPolarHBondContact O-CB 3.45Å; Q163-C166 PolarHBondContact O-N 3.48Å; Q163-A167 PolarHBondContact O-N 2.89Å
164T95.8Very high93.3Very high10 Ų1048.9 Ų48.96%0.06126%0.256CS..Hα-helixtrans-61.4-49.4177.4-57.60000111F117 L145 Y160 I161 C166 A167 I168 L208F117-T164 HydrophobicContact CE2-CG2 3.95Å; F117-T164 HydrophobicContact CZ-CG2 3.83Å; L145-T164 HydrophobicContact CD1-CG2 3.63Å; L145-T164 HydrophobicContact CD2-CG2 4.25Å; L145-T164 HydrophobicContact CG-CG2 4.47Å; Y160-T164 VanDerWaalsContact O-CB 3.28Å; Y160-T164 WeakPolarHBondContact O-CB 3.34Å; Y160-T164 PolarHBondContact O-N 2.81Å; Y160-T164 PolarHBondContact O-OG1 2.54Å; I161-T164 PolarHBondContact O-N 2.99Å; T164-C166 VanDerWaalsContact C-N 3.29Å; T164-C166 PolarHBondContact O-N 3.44Å; T164-A167 PolarHBondContact O-N 3.41Å; T164-I168 HydrophobicContact CG2-CD1 3.95Å; T164-I168 WeakPolarHBondContact O-CG1 3.45Å; T164-I168 PolarHBondContact O-N 3.21Å; T164-L208 HydrophobicContact CG2-CD1 4.16Å; T164-L208 HydrophobicContact CG2-CD2 3.9Å
165L97.4Very high93.3Very high0 Ų051.3 Ų51.30%026%0.264CS..Hα-helixtrans-65.1-34.3177.9-77.1172.1000111.9I161 I168 G169 L186 P191 V193 L208I161-L165 HydrophobicContact CG2-CD1 3.78Å; I161-L165 WeakPolarHBondContact O-CB 3.18Å; I161-L165 WeakPolarHBondContact O-CG 3.32Å; I161-L165 PolarHBondContact O-N 3.28Å; L165-I168 PolarHBondContact O-N 3.47Å; L165-G169 PolarHBondContact O-N 2.7Å; L165-L186 HydrophobicContact CB-CD2 3.84Å; L165-P191 HydrophobicContact CD1-CB 3.7Å; L165-P191 WeakPolarHBondContact CD1-O 3.26Å; L165-V193 HydrophobicContact CB-CG2 4Å; L165-V193 HydrophobicContact CD2-CG2 4.18Å; L165-V193 VanDerWaalsContact O-CG2 3.3Å; L165-V193 WeakPolarHBondContact O-CG2 3.4Å; L165-L208 HydrophobicContact CD1-CB 4.33Å; L165-L208 HydrophobicContact CD2-CB 4.35Å; L165-L208 HydrophobicContact CG-CB 4.24Å
166C97.6Very high93.4Very high14 Ų1444.6 Ų44.610%0.09522%0.222CC..Hα-helixtrans-59.8-46.6172.9-168.80000111.6Q162 Q163 T164 G169 A170 L186Q162-C166 VanDerWaalsContact O-CB 3.27Å; Q162-C166 WeakPolarHBondContact O-CB 3.37Å; Q162-C166 PolarHBondContact O-N 3.15Å; Q163-C166 WeakPolarHBondContact O-CB 3.45Å; Q163-C166 PolarHBondContact O-N 3.48Å; T164-C166 VanDerWaalsContact C-N 3.29Å; T164-C166 PolarHBondContact O-N 3.44Å; C166-G169 PolarHBondContact O-N 3.22Å; C166-A170 PolarHBondContact O-N 3.29Å; C166-L186 HydrophobicContact CB-CD1 3.79Å
167A96.7Very high92.6Very high5 Ų544.3 Ų44.34%0.04123%0.225CC..Hα-helixtrans-63.8-46.517700000112.3L116 Q163 T164 G169 A170 V171 L425L116-A167 HydrophobicContact CD1-CB 4.29Å; Q163-A167 PolarHBondContact O-N 2.89Å; T164-A167 PolarHBondContact O-N 3.41Å; A167-G169 VanDerWaalsContact C-N 3.33Å; A167-G169 PolarHBondContact O-N 3.43Å; A167-A170 PolarHBondContact O-N 2.8Å; A167-V171 PolarHBondContact O-N 2.72Å; A167-L425 HydrophobicContact CB-CD1 3.59Å; A167-L425 HydrophobicContact CB-CD2 4.01Å; A167-L425 HydrophobicContact CB-CG 4.49Å
168I96.6Very high91.9Very high1 Ų138.7 Ų38.71%0.00520%0.2CC..Hα-helixtrans-58.1-47.5174.8-71.2170.5000110.3V113 F117 V143 T164 L165 A170 V171 L172 L206V113-I168 HydrophobicContact CG1-CD1 4.13Å; V113-I168 HydrophobicContact CG1-CG1 4.33Å; V113-I168 HydrophobicContact CG2-CG2 4.02Å; F117-I168 HydrophobicContact CD2-CG1 4.46Å; F117-I168 HydrophobicContact CE2-CD1 4.36Å; F117-I168 HydrophobicContact CE2-CG1 4.04Å; V143-I168 HydrophobicContact CG1-CD1 4.11Å; T164-I168 HydrophobicContact CG2-CD1 3.95Å; T164-I168 WeakPolarHBondContact O-CG1 3.45Å; T164-I168 PolarHBondContact O-N 3.21Å; L165-I168 PolarHBondContact O-N 3.47Å; I168-A170 VanDerWaalsContact C-N 3.34Å; I168-A170 PolarHBondContact O-N 2.95Å; I168-V171 PolarHBondContact O-N 3.33Å; I168-L172 HydrophobicContact CG2-CD1 3.67Å; I168-L172 HydrophobicContact CG2-CG 4.3Å; I168-L172 WeakPolarHBondContact O-CG 3.45Å; I168-L172 PolarHBondContact O-N 2.87Å; I168-L206 HydrophobicContact CG2-CD2 4.14Å
169G96.6Very high91.5Very high0 Ų034.6 Ų34.60%019%0.189CC..Hα-helixtrans-59.7-42.3178.100000112.6L165 C166 A167 L172 E173L165-G169 PolarHBondContact O-N 2.7Å; C166-G169 PolarHBondContact O-N 3.22Å; A167-G169 VanDerWaalsContact C-N 3.33Å; A167-G169 PolarHBondContact O-N 3.43Å; G169-L172 PolarHBondContact O-N 2.9Å; G169-E173 VanDerWaalsContact O-CB 3.25Å; G169-E173 WeakPolarHBondContact O-CB 3.45Å; G169-E173 PolarHBondContact O-N 3.39Å
170A94.9Very high91.3Very high10 Ų1035.2 Ų35.28%0.08319%0.188CC..Hα-helixtrans-63.4-40.617700000112.8C166 A167 I168 S174C166-A170 PolarHBondContact O-N 3.29Å; A167-A170 PolarHBondContact O-N 2.8Å; I168-A170 VanDerWaalsContact C-N 3.34Å; I168-A170 PolarHBondContact O-N 2.95Å; A170-S174 WeakPolarHBondContact O-CB 3.36Å; A170-S174 PolarHBondContact O-N 2.86Å; A170-S174 PolarHBondContact O-OG 3.09Å
171V92.2Very high91.1Very high8 Ų838.9 Ų38.95%0.04821%0.207CC..Hα-helixtrans-67.9-42.1176.5162.60000111.6L116 A167 I168 S174 F175 L422L116-V171 HydrophobicContact CD1-CB 4.07Å; L116-V171 HydrophobicContact CD1-CG2 3.56Å; L116-V171 HydrophobicContact CD2-CG2 3.85Å; L116-V171 HydrophobicContact CG-CG2 3.79Å; A167-V171 PolarHBondContact O-N 2.72Å; I168-V171 PolarHBondContact O-N 3.33Å; V171-S174 PolarHBondContact O-N 3.07Å; V171-F175 HydrophobicContact CB-CD2 4.46Å; V171-F175 HydrophobicContact CG1-CD2 4.16Å; V171-F175 HydrophobicContact CG2-CD2 4.45Å; V171-F175 WeakPolarHBondContact O-CB 3.41Å; V171-F175 PolarHBondContact O-N 2.68Å; V171-L422 HydrophobicContact CG2-CD1 3.84Å
172L93.2Very high91.2Very high1 Ų138.4 Ų38.41%0.00521%0.205CC..Hα-helixtrans-64.1-43.8177.2-68.7170000111.2I109 A112 I168 G169 S174 F176 A179 L195 L206I109-L172 HydrophobicContact CG2-CD2 4.39Å; A112-L172 HydrophobicContact CB-CD2 3.86Å; I168-L172 HydrophobicContact CG2-CD1 3.67Å; I168-L172 HydrophobicContact CG2-CG 4.3Å; I168-L172 WeakPolarHBondContact O-CG 3.45Å; I168-L172 PolarHBondContact O-N 2.87Å; G169-L172 PolarHBondContact O-N 2.9Å; L172-S174 VanDerWaalsContact C-N 3.32Å; L172-S174 PolarHBondContact O-N 3.49Å; L172-F176 HydrophobicContact CB-CB 4.35Å; L172-F176 HydrophobicContact CD2-CB 3.95Å; L172-F176 HydrophobicContact CD2-CD2 4.3Å; L172-F176 HydrophobicContact CD2-CG 4.05Å; L172-F176 WeakPolarHBondContact O-CB 3.21Å; L172-F176 PolarHBondContact O-N 3.4Å; L172-A179 WeakPolarHBondContact O-CB 3.42Å; L172-L195 HydrophobicContact CB-CD2 4.38Å; L172-L195 HydrophobicContact CD1-CD2 3.71Å; L172-L195 HydrophobicContact CG-CD2 4.48Å; L172-L206 HydrophobicContact CD1-CD2 3.55Å
173E92.3Very high91.2Very high108 Ų10840.3 Ų40.351%0.50522%0.219SC..Hα-helixtrans-61.1-38.1176.4-175.7172.1-151.500113G169 V182 K184G169-E173 VanDerWaalsContact O-CB 3.25Å; G169-E173 WeakPolarHBondContact O-CB 3.45Å; G169-E173 PolarHBondContact O-N 3.39Å; E173-V182 HydrophobicContact CB-CB 3.99Å; E173-V182 HydrophobicContact CB-CG1 4.22Å; E173-V182 HydrophobicContact CB-CG2 3.92Å; E173-V182 HydrophobicContact CG-CB 4.29Å; E173-V182 HydrophobicContact CG-CG2 4.42Å; E173-K184 IonicContact OE2-NZ 3.95Å
174S88.5Confident91.3Very high74 Ų7437.5 Ų37.552%0.51721%0.205SC..Hα-helixtrans-88.3-33.7-173.9-550000113.8A170 V171 L172A170-S174 WeakPolarHBondContact O-CB 3.36Å; A170-S174 PolarHBondContact O-N 2.86Å; A170-S174 PolarHBondContact O-OG 3.09Å; V171-S174 PolarHBondContact O-N 3.07Å; L172-S174 VanDerWaalsContact C-N 3.32Å; L172-S174 PolarHBondContact O-N 3.49Å
175F82.9Confident91.3Very high82 Ų8239.2 Ų39.236%0.3621%0.213SC..Hα-helixtrans-125.7-15.4-167.4-57.7-72.3000114.9W37 V171 P177 L422W37-F175 HydrophobicContact CE3-CB 4.35Å; W37-F175 HydrophobicContact CZ3-CB 3.76Å; V171-F175 HydrophobicContact CB-CD2 4.46Å; V171-F175 HydrophobicContact CG1-CD2 4.16Å; V171-F175 HydrophobicContact CG2-CD2 4.45Å; V171-F175 WeakPolarHBondContact O-CB 3.41Å; V171-F175 PolarHBondContact O-N 2.68Å; F175-P177 VanDerWaalsContact O-CD 3.23Å; F175-P177 WeakPolarHBondContact O-CD 3.4Å; F175-L422 HydrophobicContact CE2-CD1 4.23Å; F175-L422 HydrophobicContact CE2-CD2 3.38Å; F175-L422 HydrophobicContact CE2-CG 4.45Å; F175-L422 HydrophobicContact CZ-CD2 3.45Å; F175-L422 VanDerWaalsContact CZ-CD2 3.45Å
176F86.6Confident91.3Very high12 Ų1240.7 Ų40.75%0.05322%0.221CC..  trans-81.1110.5-179.7-166.9-114.9000109.5L105 L108 I109 A112 L172 C178 A179L105-F176 HydrophobicContact CD1-CE1 4.04Å; L105-F176 HydrophobicContact CD1-CZ 3.8Å; L108-F176 HydrophobicContact CB-CE2 3.74Å; L108-F176 HydrophobicContact CB-CZ 3.9Å; I109-F176 HydrophobicContact CG1-CE1 4.12Å; I109-F176 HydrophobicContact CG1-CE2 4.17Å; I109-F176 HydrophobicContact CG1-CZ 3.78Å; A112-F176 HydrophobicContact CB-CD2 4.24Å; L172-F176 HydrophobicContact CB-CB 4.35Å; L172-F176 HydrophobicContact CD2-CB 3.95Å; L172-F176 HydrophobicContact CD2-CD2 4.3Å; L172-F176 HydrophobicContact CD2-CG 4.05Å; L172-F176 WeakPolarHBondContact O-CB 3.21Å; L172-F176 PolarHBondContact O-N 3.4Å; F176-C178 HydrophobicContact CD1-CB 4.17Å; F176-C178 HydrophobicContact CE1-CB 3.75Å; F176-C178 HydrophobicContact CZ-CB 4.33Å; F176-C178 PolarHBondContact O-N 3.35Å; F176-A179 HydrophobicContact CB-CB 3.97Å; F176-A179 HydrophobicContact CD1-CB 3.79Å; F176-A179 HydrophobicContact CG-CB 4.38Å; F176-A179 PolarHBondContact O-N 2.73Å
177P75.6Confident91.2Very high85 Ų8545 Ų4555%0.55224%0.243SC*.THydrogen-bonded Turntrans-65.8-9.6-169.627-36.1000114F175F175-P177 VanDerWaalsContact O-CD 3.23Å; F175-P177 WeakPolarHBondContact O-CD 3.4Å
178C75.5Confident90.9Very high14 Ų1446.6 Ų46.610%0.09526%0.257CS..THydrogen-bonded Turntrans-117.610.6-178.2-69.90000112.6M41 F176 S196 S197 S199M41-C178 WeakPolarHBondContact CE-SG 3.27Å; M41-C178 HydrophobicContact SD-CB 4.33Å; M41-C178 PolarHBondContact SD-SG 2.89Å; F176-C178 HydrophobicContact CD1-CB 4.17Å; F176-C178 HydrophobicContact CE1-CB 3.75Å; F176-C178 HydrophobicContact CZ-CB 4.33Å; F176-C178 PolarHBondContact O-N 3.35Å; C178-S196 VanDerWaalsContact O-O 3.13Å; C178-S197 WeakPolarHBondContact O-CA 3.48Å; C178-S197 WeakPolarHBondContact O-CB 3.44Å; C178-S199 PolarHBondContact SG-OG 3.38Å
179A85.7Confident90.5Very high22 Ų2252 Ų5218%0.18228%0.277CS..  trans-86.3122.4174.100000110L172 F176 V182L172-A179 WeakPolarHBondContact O-CB 3.42Å; F176-A179 HydrophobicContact CB-CB 3.97Å; F176-A179 HydrophobicContact CD1-CB 3.79Å; F176-A179 HydrophobicContact CG-CB 4.38Å; F176-A179 PolarHBondContact O-N 2.73Å; A179-V182 HydrophobicContact CB-CG2 3.81Å
180E89Confident90.3Very high52 Ų5254.9 Ų54.924%0.24329%0.294CS..EExtended strand (participates in β ladder)trans-121.2151.5162-63.7-171.7176.700108.9V182 S196 R198E180-V182 PolarHBondContact O-N 3.23Å; E180-S196 PolarHBondContact N-O 3.36Å; E180-S196 PolarHBondContact O-N 3.05Å; E180-S196 PolarHBondContact O-OG 3.03Å; E180-R198 HydrophobicContact CG-CB 4.33Å; E180-R198 VanDerWaalsContact OE1-CB 3.31Å; E180-R198 WeakPolarHBondContact OE1-CB 3.39Å; E180-R198 WeakPolarHBondContact OE1-CD 3.42Å; E180-R198 IonicContact OE1-CZ 2.65Å; E180-R198 IonicContact OE1-NE 2.69Å; E180-R198 PolarHBondContact OE1-NE 3.12Å; E180-R198 VanDerWaalsContact OE1-NE 3.14Å; E180-R198 IonicContact OE1-NH1 3.46Å; E180-R198 PolarHBondContact OE1-NH1 3.1Å; E180-R198 IonicContact OE1-NH2 3.82Å; E180-R198 WeakPolarHBondContact OE2-CB 3.37Å; E180-R198 IonicContact OE2-CZ 3.74Å; E180-R198 IonicContact OE2-NE 3.61Å; E180-R198 PolarHBondContact OE2-NE 2.88Å; E180-R198 IonicContact OE2-NH1 2.76Å; E180-R198 IonicContact OE2-NH2 3.54Å; E180-R198 PolarHBondContact OE2-NH2 3.02Å
181H90.3Very high90.3Very high138 Ų13854.9 Ų54.964%0.63929%0.293SS*.EExtended strand (participates in β ladder)trans54.651.3174.1-55-73.1000113.3V183H181-V183 PolarHBondContact O-N 2.99Å
182V95.8Very high90.6Very high22 Ų2255.7 Ų55.713%0.13330%0.297CS..EExtended strand (participates in β ladder)trans-70.4116.8175-175.70000109.4E173 A179 E180 V193 K194 L195E173-V182 HydrophobicContact CB-CB 3.99Å; E173-V182 HydrophobicContact CB-CG1 4.22Å; E173-V182 HydrophobicContact CB-CG2 3.92Å; E173-V182 HydrophobicContact CG-CB 4.29Å; E173-V182 HydrophobicContact CG-CG2 4.42Å; A179-V182 HydrophobicContact CB-CG2 3.81Å; E180-V182 PolarHBondContact O-N 3.23Å; V182-V193 HydrophobicContact CG1-CG1 3.9Å; V182-K194 CarbonylContact C-O 3.51Å; V182-K194 VanDerWaalsContact CA-O 3.27Å; V182-K194 WeakPolarHBondContact CA-O 3.4Å; V182-L195 HydrophobicContact CG2-CB 4.02Å
183V96.6Very high90.8Very high77 Ų7755.6 Ų55.647%0.46730%0.297SS..EExtended strand (participates in β ladder)trans-123127.9-179.7-177.50000109.7H181 I185 V193 K194H181-V183 PolarHBondContact O-N 2.99Å; V183-I185 HydrophobicContact CG1-CG1 3.97Å; V183-V193 WeakPolarHBondContact O-CA 3.38Å; V183-K194 HydrophobicContact CB-CB 4.38Å; V183-K194 PolarHBondContact N-O 2.84Å; V183-K194 PolarHBondContact O-N 2.95Å
184K97.5Very high91Very high53 Ų5354.2 Ų54.223%0.2329%0.289CS..EExtended strand (participates in β ladder)trans-103.599.8-177.1-55.4168.6-163.4174.60109E173 L186 V193E173-K184 IonicContact OE2-NZ 3.95Å; K184-L186 HydrophobicContact CB-CD1 4.35Å; K184-L186 HydrophobicContact CB-CD2 4.35Å; K184-L186 HydrophobicContact CB-CG 4.1Å; K184-L186 PolarHBondContact O-N 3.36Å; K184-V193 HydrophobicContact CG-CG2 4.49Å
185I96.7Very high91.4Very high45 Ų4551 Ų5123%0.23127%0.266CS..EExtended strand (participates in β ladder)trans-98.981.5178.4-50.7174.7000108V183 A188 P191 I192 K194 A413V183-I185 HydrophobicContact CG1-CG1 3.97Å; I185-A188 HydrophobicContact CG2-CB 3.99Å; I185-P191 WeakPolarHBondContact O-CA 3.16Å; I185-I192 HydrophobicContact CB-CG2 3.73Å; I185-I192 HydrophobicContact CD1-CG2 4.27Å; I185-I192 HydrophobicContact CG1-CG2 4.36Å; I185-I192 HydrophobicContact CG2-CG2 4.44Å; I185-I192 PolarHBondContact N-O 3.15Å; I185-I192 PolarHBondContact O-N 3.44Å; I185-K194 HydrophobicContact CD1-CD 4.05Å; I185-K194 HydrophobicContact CD1-CG 4.34Å; I185-A413 HydrophobicContact CG2-CB 4.32Å
186L97Very high91.8Very high32 Ų3248.1 Ų48.117%0.16826%0.257CS..  trans-89.4-20.2-169.2-57.4179.4000113.4Q162 L165 C166 K184 P191Q162-L186 HydrophobicContact CB-CB 4.38Å; Q162-L186 HydrophobicContact CG-CB 4.16Å; Q162-L186 WeakPolarHBondContact CG-O 3.49Å; Q162-L186 PolarHBondContact NE2-O 2.91Å; L165-L186 HydrophobicContact CB-CD2 3.84Å; C166-L186 HydrophobicContact CB-CD1 3.79Å; K184-L186 HydrophobicContact CB-CD1 4.35Å; K184-L186 HydrophobicContact CB-CD2 4.35Å; K184-L186 HydrophobicContact CB-CG 4.1Å; K184-L186 PolarHBondContact O-N 3.36Å; L186-P191 WeakPolarHBondContact O-CG 3.22Å
187N95.1Very high91.9Very high103 Ų10347.6 Ų47.655%0.55125%0.254SS*.SBendtrans-91.9-6.2-175-68.7-32000114.5R158 Q162R158-N187 PolarHBondContact NH2-O 3.35Å; Q162-N187 PolarHBondContact NE2-OD1 3.23Å
188A91.2Very high92.1Very high39 Ų3951.5 Ų51.532%0.32226%0.258SS..SBendtrans-61.9169.3175.100000112.2R158 I185 V190R158-A188 PolarHBondContact NH1-O 2.84Å; R158-A188 PolarHBondContact NH2-O 2.97Å; I185-A188 HydrophobicContact CG2-CB 3.99Å; A188-V190 VanDerWaalsContact C-N 3.26Å; A188-V190 PolarHBondContact O-N 3Å
189R87.6Confident92.2Very high115 Ų11552.2 Ų52.243%0.43426%0.263SS..SBendtrans-53.1-49173.5179.2-171.6178.9128.82.9110.5E347 H350R189-E347 IonicContact CZ-OE2 3.51Å; R189-E347 IonicContact NE-OE2 4Å; R189-E347 IonicContact NH2-OE2 3.77Å; R189-E347 PolarHBondContact NH2-OE2 2.93Å; R189-H350 VanDerWaalsContact CZ-CD2 3.45Å; R189-H350 PolarHBondContact NH1-CD2 3.19Å; R189-H350 PolarHBondContact NH1-CE1 2.64Å; R189-H350 PolarHBondContact NH1-ND1 2.68Å; R189-H350 VanDerWaalsContact NH1-ND1 3.18Å; R189-H350 PolarHBondContact NH1-NE2 3.08Å; R189-H350 PolarHBondContact NH2-CD2 2.75Å
190V91.1Very high92.1Very high60 Ų6051.5 Ų51.536%0.36426%0.256SS..SBendtrans-109.7108172-178.30000107.4A188 T207A188-V190 VanDerWaalsContact C-N 3.26Å; A188-V190 PolarHBondContact O-N 3Å; V190-T207 HydrophobicContact CG1-CG2 3.96Å
191P96.6Very high91.8Very high10 Ų1051.5 Ų51.57%0.06527%0.27CS..  trans-58.6139.3174.4-27.337.5000111.7I161 Q162 L165 I185 L186I161-P191 HydrophobicContact CG2-CB 3.92Å; I161-P191 HydrophobicContact CG2-CG 3.86Å; Q162-P191 HydrophobicContact CG-CG 4.15Å; L165-P191 HydrophobicContact CD1-CB 3.7Å; L165-P191 WeakPolarHBondContact CD1-O 3.26Å; I185-P191 WeakPolarHBondContact O-CA 3.16Å; L186-P191 WeakPolarHBondContact O-CG 3.22Å
192I97.1Very high91.9Very high25 Ų2545.5 Ų45.513%0.12824%0.242CC..EExtended strand (participates in β ladder)trans-145.6145.2-173-167.2170.2000112.1I185 D205 L206 T207I185-I192 HydrophobicContact CB-CG2 3.73Å; I185-I192 HydrophobicContact CD1-CG2 4.27Å; I185-I192 HydrophobicContact CG1-CG2 4.36Å; I185-I192 HydrophobicContact CG2-CG2 4.44Å; I185-I192 PolarHBondContact N-O 3.15Å; I185-I192 PolarHBondContact O-N 3.44Å; I192-D205 HydrophobicContact CD1-CB 3.64Å; I192-D205 VanDerWaalsContact CD1-CG 3.48Å; I192-D205 VanDerWaalsContact CD1-OD2 3.24Å; I192-D205 WeakPolarHBondContact CD1-OD2 3.41Å; I192-D205 HydrophobicContact CG1-CB 4.33Å; I192-L206 WeakPolarHBondContact CA-O 3.47Å; I192-L206 WeakPolarHBondContact CG1-O 3.18Å; I192-T207 HydrophobicContact CB-CG2 4.25Å; I192-T207 HydrophobicContact CD1-CG2 4.18Å; I192-T207 HydrophobicContact CG1-CG2 3.94Å
193V98.1Very high91.8Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-109.7118166.9176.30000108.2L165 V182 V183 K184 L206L165-V193 HydrophobicContact CB-CG2 4Å; L165-V193 HydrophobicContact CD2-CG2 4.18Å; L165-V193 VanDerWaalsContact O-CG2 3.3Å; L165-V193 WeakPolarHBondContact O-CG2 3.4Å; V182-V193 HydrophobicContact CG1-CG1 3.9Å; V183-V193 WeakPolarHBondContact O-CA 3.38Å; K184-V193 HydrophobicContact CG-CG2 4.49Å; V193-L206 HydrophobicContact CB-CB 4.28Å; V193-L206 PolarHBondContact N-O 3.46Å; V193-L206 PolarHBondContact O-N 3.05Å
194K97.3Very high91.7Very high78 Ų7843.3 Ų43.334%0.33923%0.232SC..EExtended strand (participates in β ladder)trans-95.1141.5174.8-57.8-159.1152.8-160.20109.8V182 V183 I185 C204 D205V182-K194 CarbonylContact C-O 3.51Å; V182-K194 VanDerWaalsContact CA-O 3.27Å; V182-K194 WeakPolarHBondContact CA-O 3.4Å; V183-K194 HydrophobicContact CB-CB 4.38Å; V183-K194 PolarHBondContact N-O 2.84Å; V183-K194 PolarHBondContact O-N 2.95Å; I185-K194 HydrophobicContact CD1-CD 4.05Å; I185-K194 HydrophobicContact CD1-CG 4.34Å; K194-C204 CarbonylContact C-O 3.57Å; K194-C204 WeakPolarHBondContact CA-O 3.38Å; K194-D205 VanDerWaalsContact CE-OD1 3.23Å; K194-D205 WeakPolarHBondContact CE-OD1 3.24Å; K194-D205 WeakPolarHBondContact CE-OD2 3.5Å; K194-D205 WeakPolarHBondContact CG-OD1 3.14Å; K194-D205 IonicContact NZ-OD1 3.94Å; K194-D205 IonicContact NZ-OD2 3.47Å; K194-D205 PolarHBondContact NZ-OD2 3.37Å
195L95.6Very high91.7Very high6 Ų641.6 Ų41.63%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-149.6162.1169.96589000109.8L172 V182 S203 C204 L206L172-L195 HydrophobicContact CB-CD2 4.38Å; L172-L195 HydrophobicContact CD1-CD2 3.71Å; L172-L195 HydrophobicContact CG-CD2 4.48Å; V182-L195 HydrophobicContact CG2-CB 4.02Å; L195-S203 CarbonylContact O-C 3.47Å; L195-C204 HydrophobicContact CD1-CB 3.78Å; L195-C204 HydrophobicContact CG-CB 3.96Å; L195-C204 PolarHBondContact N-O 3.35Å; L195-C204 PolarHBondContact O-N 3.2Å; L195-L206 HydrophobicContact CD2-CD1 3.79Å; L195-L206 HydrophobicContact CG-CD1 4.26Å
196S92Very high91.7Very high23 Ų2339.5 Ų39.516%0.16121%0.214CC..EExtended strand (participates in β ladder)trans-124.8141.6174.962.60000110.3C178 E180C178-S196 VanDerWaalsContact O-O 3.13Å; E180-S196 PolarHBondContact N-O 3.36Å; E180-S196 PolarHBondContact O-N 3.05Å; E180-S196 PolarHBondContact O-OG 3.03Å
197S87.4Confident91.7Very high1 Ų138.2 Ų38.21%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-105.299.9170.6178.20000109.8C178 S199 L200 G201 I202C178-S197 WeakPolarHBondContact O-CA 3.48Å; C178-S197 WeakPolarHBondContact O-CB 3.44Å; S197-S199 VanDerWaalsContact C-N 3.3Å; S197-S199 PolarHBondContact O-N 2.89Å; S197-S199 PolarHBondContact OG-OG 3.28Å; S197-L200 CarbonylContact O-C 3.51Å; S197-L200 PolarHBondContact O-N 3.21Å; S197-L200 WeakPolarHBondContact OG-CB 3.35Å; S197-L200 WeakPolarHBondContact OG-CG 3.2Å; S197-L200 PolarHBondContact OG-N 3.1Å; S197-G201 WeakPolarHBondContact O-CA 3.49Å; S197-G201 PolarHBondContact O-N 2.87Å; S197-I202 PolarHBondContact N-O 3.48Å; S197-I202 PolarHBondContact O-N 2.89Å
198R79.8Confident91.7Very high167 Ų16734.1 Ų34.163%0.6319%0.186SC*.THydrogen-bonded Turntrans-60.7-40.1177177179.4-72159.1-4.2112.3E180 L200 G201E180-R198 HydrophobicContact CG-CB 4.33Å; E180-R198 VanDerWaalsContact OE1-CB 3.31Å; E180-R198 WeakPolarHBondContact OE1-CB 3.39Å; E180-R198 WeakPolarHBondContact OE1-CD 3.42Å; E180-R198 IonicContact OE1-CZ 2.65Å; E180-R198 IonicContact OE1-NE 2.69Å; E180-R198 PolarHBondContact OE1-NE 3.12Å; E180-R198 VanDerWaalsContact OE1-NE 3.14Å; E180-R198 IonicContact OE1-NH1 3.46Å; E180-R198 PolarHBondContact OE1-NH1 3.1Å; E180-R198 IonicContact OE1-NH2 3.82Å; E180-R198 WeakPolarHBondContact OE2-CB 3.37Å; E180-R198 IonicContact OE2-CZ 3.74Å; E180-R198 IonicContact OE2-NE 3.61Å; E180-R198 PolarHBondContact OE2-NE 2.88Å; E180-R198 IonicContact OE2-NH1 2.76Å; E180-R198 IonicContact OE2-NH2 3.54Å; E180-R198 PolarHBondContact OE2-NH2 3.02Å; R198-L200 PolarHBondContact O-N 3.48Å; R198-G201 PolarHBondContact O-N 3.39Å
199S78.4Confident91.7Very high28 Ų2835.2 Ų35.220%0.19619%0.186CC..THydrogen-bonded Turntrans-63.8-27.3178.951.80000113I8 C178 S197I8-S199 WeakPolarHBondContact CD1-O 3.17Å; C178-S199 PolarHBondContact SG-OG 3.38Å; S197-S199 VanDerWaalsContact C-N 3.3Å; S197-S199 PolarHBondContact O-N 2.89Å; S197-S199 PolarHBondContact OG-OG 3.28Å
200L82.8Confident91.7Very high8 Ų830.8 Ų30.84%0.04217%0.171CC..THydrogen-bonded Turntrans-109.5-11-179.5-58.8-176.7000114I8 M41 F63 L101 L105 S197 R198 I202I8-L200 HydrophobicContact CD1-CD2 4.04Å; I8-L200 HydrophobicContact CG2-CD2 4.12Å; M41-L200 HydrophobicContact CE-CD2 4.09Å; M41-L200 HydrophobicContact CE-CG 4.3Å; F63-L200 VanDerWaalsContact CE1-C 3.46Å; L101-L200 HydrophobicContact CD1-CD1 4.02Å; L101-L200 HydrophobicContact CD1-CD2 3.84Å; L101-L200 HydrophobicContact CD1-CG 4.43Å; L101-L200 HydrophobicContact CD2-CB 4.18Å; L101-L200 HydrophobicContact CD2-CD2 4.23Å; L101-L200 HydrophobicContact CG-CD1 4.49Å; L105-L200 HydrophobicContact CB-CD1 4.06Å; L105-L200 HydrophobicContact CD1-CD1 3.95Å; L105-L200 HydrophobicContact CD2-CD1 4.06Å; L105-L200 HydrophobicContact CG-CD1 4.24Å; S197-L200 CarbonylContact O-C 3.51Å; S197-L200 PolarHBondContact O-N 3.21Å; S197-L200 WeakPolarHBondContact OG-CB 3.35Å; S197-L200 WeakPolarHBondContact OG-CG 3.2Å; S197-L200 PolarHBondContact OG-N 3.1Å; R198-L200 PolarHBondContact O-N 3.48Å; L200-I202 VanDerWaalsContact C-N 3.29Å; L200-I202 HydrophobicContact CB-CD1 4.3Å; L200-I202 HydrophobicContact CB-CG1 4.41Å; L200-I202 PolarHBondContact O-N 2.96Å
201G84.7Confident91.5Very high51 Ų5134.2 Ų34.253%0.52618%0.177SC..THydrogen-bonded Turntrans6431.2-17600000113.3S197 R198S197-G201 WeakPolarHBondContact O-CA 3.49Å; S197-G201 PolarHBondContact O-N 2.87Å; R198-G201 PolarHBondContact O-N 3.39Å
202I90.8Very high91.2Very high12 Ų1234.8 Ų34.86%0.06218%0.182CC..EExtended strand (participates in β ladder)trans-122.9121.9-176.4-61.1169.7000109.9L101 R102 L105 L139 S197 L200L101-I202 HydrophobicContact CD2-CD1 3.7Å; L101-I202 HydrophobicContact CG-CD1 3.83Å; R102-I202 HydrophobicContact CG-CD1 4.05Å; L105-I202 HydrophobicContact CD2-CB 3.87Å; L105-I202 HydrophobicContact CD2-CD1 4.2Å; L105-I202 HydrophobicContact CD2-CG2 3.85Å; L139-I202 HydrophobicContact CB-CG2 3.68Å; L139-I202 HydrophobicContact CD2-CG2 4.27Å; S197-I202 PolarHBondContact N-O 3.48Å; S197-I202 PolarHBondContact O-N 2.89Å; L200-I202 VanDerWaalsContact C-N 3.29Å; L200-I202 HydrophobicContact CB-CD1 4.3Å; L200-I202 HydrophobicContact CB-CG1 4.41Å; L200-I202 PolarHBondContact O-N 2.96Å
203S93.5Very high90.9Very high54 Ų5435.5 Ų35.538%0.37819%0.189SC..EExtended strand (participates in β ladder)trans-81.8140.7165.5-63.50000110.2D138 L139 L195D138-S203 VanDerWaalsContact OD1-CB 3.27Å; D138-S203 WeakPolarHBondContact OD1-CB 3.36Å; L139-S203 PolarHBondContact N-O 3.22Å; L195-S203 CarbonylContact O-C 3.47Å
204C95.7Very high90.6Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-128.8141.9-176-570000111.6L105 I109 L139 I141 K194 L195 L206L105-C204 WeakPolarHBondContact CD2-SG 3.36Å; I109-C204 HydrophobicContact CD1-CB 4.47Å; L139-C204 CarbonylContact O-C 3.34Å; L139-C204 VanDerWaalsContact O-CA 3.25Å; L139-C204 WeakPolarHBondContact O-CA 3.35Å; I141-C204 HydrophobicContact CD1-CB 4.45Å; K194-C204 CarbonylContact C-O 3.57Å; K194-C204 WeakPolarHBondContact CA-O 3.38Å; L195-C204 HydrophobicContact CD1-CB 3.78Å; L195-C204 HydrophobicContact CG-CB 3.96Å; L195-C204 PolarHBondContact N-O 3.35Å; L195-C204 PolarHBondContact O-N 3.2Å; C204-L206 HydrophobicContact CB-CD1 4.09Å
205D96.8Very high90.3Very high17 Ų1740.2 Ų40.29%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-126.4105-175-95.924.4000108L139 D140 I141 I192 K194L139-D205 PolarHBondContact O-N 3.09Å; D140-D205 CarbonylContact C-O 3.57Å; D140-D205 WeakPolarHBondContact CA-O 3.43Å; I141-D205 PolarHBondContact N-O 3.07Å; I192-D205 HydrophobicContact CD1-CB 3.64Å; I192-D205 VanDerWaalsContact CD1-CG 3.48Å; I192-D205 VanDerWaalsContact CD1-OD2 3.24Å; I192-D205 WeakPolarHBondContact CD1-OD2 3.41Å; I192-D205 HydrophobicContact CG1-CB 4.33Å; K194-D205 VanDerWaalsContact CE-OD1 3.23Å; K194-D205 WeakPolarHBondContact CE-OD1 3.24Å; K194-D205 WeakPolarHBondContact CE-OD2 3.5Å; K194-D205 WeakPolarHBondContact CG-OD1 3.14Å; K194-D205 IonicContact NZ-OD1 3.94Å; K194-D205 IonicContact NZ-OD2 3.47Å; K194-D205 PolarHBondContact NZ-OD2 3.37Å
206L97.8Very high90.3Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-99.1127.6-175.7-72.674.6000111.2I109 I141 V143 I168 L172 I192 V193 L195 C204I109-L206 HydrophobicContact CG2-CD2 3.75Å; I141-L206 HydrophobicContact CB-CG 4.2Å; I141-L206 HydrophobicContact CD1-CD1 4.46Å; I141-L206 WeakPolarHBondContact O-CA 3.32Å; V143-L206 HydrophobicContact CG2-CD2 4.42Å; I168-L206 HydrophobicContact CG2-CD2 4.14Å; L172-L206 HydrophobicContact CD1-CD2 3.55Å; I192-L206 WeakPolarHBondContact CA-O 3.47Å; I192-L206 WeakPolarHBondContact CG1-O 3.18Å; V193-L206 HydrophobicContact CB-CB 4.28Å; V193-L206 PolarHBondContact N-O 3.46Å; V193-L206 PolarHBondContact O-N 3.05Å; L195-L206 HydrophobicContact CD2-CD1 3.79Å; L195-L206 HydrophobicContact CG-CD1 4.26Å; C204-L206 HydrophobicContact CB-CD1 4.09Å
207T96.8Very high90.4Very high5 Ų539.7 Ų39.73%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-126.8162.7175.3600000111F125 I141 V143 V190 I192F125-T207 HydrophobicContact CZ-CG2 4.47Å; I141-T207 PolarHBondContact O-N 3.08Å; V143-T207 PolarHBondContact N-O 3.19Å; V190-T207 HydrophobicContact CG1-CG2 3.96Å; I192-T207 HydrophobicContact CB-CG2 4.25Å; I192-T207 HydrophobicContact CD1-CG2 4.18Å; I192-T207 HydrophobicContact CG1-CG2 3.94Å
208L95.4Very high90.8Very high18 Ų1843.9 Ų43.99%0.09422%0.223CC..EExtended strand (participates in β ladder)trans-110.9126.2-178.7-163.272.7000111.1V143 L145 Y160 I161 T164 L165 N210V143-L208 HydrophobicContact CB-CD1 3.91Å; V143-L208 HydrophobicContact CG1-CD1 3.94Å; L145-L208 HydrophobicContact CD1-CD1 4.21Å; L145-L208 HydrophobicContact CD1-CD2 4.46Å; L145-L208 HydrophobicContact CD2-CD1 4.03Å; L145-L208 HydrophobicContact CG-CD1 3.9Å; Y160-L208 HydrophobicContact CE1-CD2 4.31Å; I161-L208 HydrophobicContact CB-CD2 4.3Å; I161-L208 HydrophobicContact CG1-CD2 4Å; I161-L208 HydrophobicContact CG2-CB 4.17Å; I161-L208 HydrophobicContact CG2-CD2 4.4Å; T164-L208 HydrophobicContact CG2-CD1 4.16Å; T164-L208 HydrophobicContact CG2-CD2 3.9Å; L165-L208 HydrophobicContact CD1-CB 4.33Å; L165-L208 HydrophobicContact CD2-CB 4.35Å; L165-L208 HydrophobicContact CG-CB 4.24Å; L208-N210 PolarHBondContact O-N 3.41Å
209D89.8Confident91.6Very high62 Ų6236 Ų3633%0.33219%0.194SC..SBendtrans40.642177.3-160.821.2000115.2N142 V143 R211N142-D209 PolarHBondContact OD1-N 2.88Å; V143-D209 PolarHBondContact O-N 3.01Å; D209-R211 VanDerWaalsContact C-N 3.28Å; D209-R211 PolarHBondContact O-N 3.39Å; D209-R211 WeakPolarHBondContact OD1-CG 3.34Å; D209-R211 IonicContact OD1-CZ 3.36Å; D209-R211 IonicContact OD1-NE 3.24Å; D209-R211 PolarHBondContact OD1-NE 3.07Å; D209-R211 VanDerWaalsContact OD1-NE 3.14Å; D209-R211 IonicContact OD1-NH2 2.73Å; D209-R211 IonicContact OD2-CZ 2.7Å; D209-R211 IonicContact OD2-NE 3.98Å; D209-R211 PolarHBondContact OD2-NE 2.91Å; D209-R211 IonicContact OD2-NH2 3.75Å; D209-R211 PolarHBondContact OD2-NH2 3.23Å
210N88.3Confident92.5Very high21 Ų2134.9 Ų34.911%0.11219%0.185CC..  trans-78.276.4179.5-174.4-9.9000111.2N142 L208 S212 S213 Y214N142-N210 PolarHBondContact OD1-N 3.49Å; L208-N210 PolarHBondContact O-N 3.41Å; N210-S212 PolarHBondContact O-N 3.05Å; N210-S213 VanDerWaalsContact CG-CB 3.49Å; N210-S213 VanDerWaalsContact CG-OG 3.26Å; N210-S213 WeakPolarHBondContact ND2-CB 3.31Å; N210-S213 PolarHBondContact ND2-OG 2.97Å; N210-S213 PolarHBondContact O-N 3.26Å; N210-S213 VanDerWaalsContact OD1-CB 3.28Å; N210-S213 WeakPolarHBondContact OD1-CB 3.28Å; N210-S213 PolarHBondContact OD1-N 2.74Å; N210-S213 PolarHBondContact OD1-OG 2.87Å; N210-Y214 PolarHBondContact O-N 3.24Å
211R88Confident93.2Very high132 Ų13240.3 Ų40.350%0.49821%0.205SC..Hα-helixtrans-64-38.2-177-62.1-173.4-168152.316.5113.1K151 D209 Y214 Q215K151-R211 VanDerWaalsContact NZ-NH2 3.17Å; D209-R211 VanDerWaalsContact C-N 3.28Å; D209-R211 PolarHBondContact O-N 3.39Å; D209-R211 WeakPolarHBondContact OD1-CG 3.34Å; D209-R211 IonicContact OD1-CZ 3.36Å; D209-R211 IonicContact OD1-NE 3.24Å; D209-R211 PolarHBondContact OD1-NE 3.07Å; D209-R211 VanDerWaalsContact OD1-NE 3.14Å; D209-R211 IonicContact OD1-NH2 2.73Å; D209-R211 IonicContact OD2-CZ 2.7Å; D209-R211 IonicContact OD2-NE 3.98Å; D209-R211 PolarHBondContact OD2-NE 2.91Å; D209-R211 IonicContact OD2-NH2 3.75Å; D209-R211 PolarHBondContact OD2-NH2 3.23Å; R211-Y214 PolarHBondContact O-N 3.47Å; R211-Q215 WeakPolarHBondContact O-CG 3.44Å; R211-Q215 PolarHBondContact O-N 2.66Å
212S90.2Very high93.7Very high23 Ų2339.6 Ų39.616%0.16119%0.189CC..Hα-helixtrans-58.4-50.4178.8165.90000111.2N210 Y214 Q215 T216 M346 E347N210-S212 PolarHBondContact O-N 3.05Å; S212-Y214 VanDerWaalsContact C-N 3.34Å; S212-Y214 PolarHBondContact O-N 3.39Å; S212-Q215 PolarHBondContact O-N 2.84Å; S212-T216 WeakPolarHBondContact O-CB 3.49Å; S212-T216 PolarHBondContact O-N 3.14Å; S212-T216 PolarHBondContact O-OG1 3.29Å; S212-M346 WeakPolarHBondContact OG-CB 3.44Å; S212-E347 VanDerWaalsContact CB-OE1 3.29Å; S212-E347 WeakPolarHBondContact CB-OE1 3.48Å; S212-E347 PolarHBondContact OG-OE1 3.46Å
213S90.9Very high94Very high40 Ų4039 Ų3928%0.2819%0.186SC..Hα-helixtrans-69-33.8-180-60.60000112.5N210 T216 A217N210-S213 VanDerWaalsContact CG-CB 3.49Å; N210-S213 VanDerWaalsContact CG-OG 3.26Å; N210-S213 WeakPolarHBondContact ND2-CB 3.31Å; N210-S213 PolarHBondContact ND2-OG 2.97Å; N210-S213 PolarHBondContact O-N 3.26Å; N210-S213 VanDerWaalsContact OD1-CB 3.28Å; N210-S213 WeakPolarHBondContact OD1-CB 3.28Å; N210-S213 PolarHBondContact OD1-N 2.74Å; N210-S213 PolarHBondContact OD1-OG 2.87Å; S213-T216 PolarHBondContact O-N 3.13Å; S213-A217 WeakPolarHBondContact O-CB 3.23Å; S213-A217 PolarHBondContact O-N 3.5Å
214Y90.2Very high94.2Very high99 Ų9936.6 Ų36.639%0.38817%0.169SC..Hα-helixtrans-63.7-46.6173.8-175.6-95.6000112.2F125 N210 R211 S212 T216 A217 K218F125-Y214 HydrophobicContact CB-CD2 4.44Å; N210-Y214 PolarHBondContact O-N 3.24Å; R211-Y214 PolarHBondContact O-N 3.47Å; S212-Y214 VanDerWaalsContact C-N 3.34Å; S212-Y214 PolarHBondContact O-N 3.39Å; Y214-T216 VanDerWaalsContact C-N 3.34Å; Y214-T216 PolarHBondContact O-N 3.12Å; Y214-A217 PolarHBondContact O-N 3.19Å; Y214-K218 PolarHBondContact O-N 3.28Å
215Q92.1Very high94.2Very high77 Ų7741.5 Ų41.536%0.3619%0.194SC..Hα-helixtrans-64.8-40.1177.3-68.1-69.322.500111.9R211 S212 A217 K218 V219 M346R211-Q215 WeakPolarHBondContact O-CG 3.44Å; R211-Q215 PolarHBondContact O-N 2.66Å; S212-Q215 PolarHBondContact O-N 2.84Å; Q215-A217 VanDerWaalsContact C-N 3.35Å; Q215-A217 PolarHBondContact O-N 3.11Å; Q215-K218 WeakPolarHBondContact O-CB 3.38Å; Q215-K218 PolarHBondContact O-N 3.41Å; Q215-V219 WeakPolarHBondContact O-CG2 3.18Å; Q215-V219 PolarHBondContact O-N 3.27Å; Q215-M346 HydrophobicContact CB-CE 3.86Å; Q215-M346 HydrophobicContact CB-CG 4.45Å; Q215-M346 HydrophobicContact CB-SD 3.62Å
216T94.6Very high94Very high13 Ų1342.3 Ų42.38%0.0820%0.198CC..Hα-helixtrans-60.3-45.4175.3-570000111.4S212 S213 Y214 K218 V219 F220 F258 M346S212-T216 WeakPolarHBondContact O-CB 3.49Å; S212-T216 PolarHBondContact O-N 3.14Å; S212-T216 PolarHBondContact O-OG1 3.29Å; S213-T216 PolarHBondContact O-N 3.13Å; Y214-T216 VanDerWaalsContact C-N 3.34Å; Y214-T216 PolarHBondContact O-N 3.12Å; T216-K218 VanDerWaalsContact C-N 3.3Å; T216-K218 PolarHBondContact O-N 3.22Å; T216-V219 PolarHBondContact O-N 2.73Å; T216-F220 HydrophobicContact CG2-CD2 3.89Å; T216-F220 HydrophobicContact CG2-CE2 3.56Å; T216-F220 HydrophobicContact CG2-CZ 4.18Å; T216-F220 PolarHBondContact O-N 3Å; T216-F258 HydrophobicContact CG2-CE2 3.6Å; T216-F258 HydrophobicContact CG2-CZ 3.94Å; T216-M346 VanDerWaalsContact OG1-CG 3.3Å; T216-M346 WeakPolarHBondContact OG1-CG 3.34Å
217A95.5Very high93.9Very high5 Ų543.2 Ų43.24%0.04120%0.202CC..Hα-helixtrans-61.2-39176.100000112.1V129 N130 S213 Y214 Q215 W221V129-A217 HydrophobicContact CG2-CB 4.1Å; N130-A217 HydrophobicContact CB-CB 4.2Å; N130-A217 WeakPolarHBondContact CB-O 3.35Å; S213-A217 WeakPolarHBondContact O-CB 3.23Å; S213-A217 PolarHBondContact O-N 3.5Å; Y214-A217 PolarHBondContact O-N 3.19Å; Q215-A217 VanDerWaalsContact C-N 3.35Å; Q215-A217 PolarHBondContact O-N 3.11Å; A217-W221 WeakPolarHBondContact O-CB 3.1Å; A217-W221 PolarHBondContact O-N 3.32Å
218K94.8Very high93.9Very high89 Ų8945.7 Ų45.739%0.38722%0.218SC..Hα-helixtrans-63.8-46.6176-176.5-177176.9-173.70112.2Y214 Q215 T216 F220 W221 M222Y214-K218 PolarHBondContact O-N 3.28Å; Q215-K218 WeakPolarHBondContact O-CB 3.38Å; Q215-K218 PolarHBondContact O-N 3.41Å; T216-K218 VanDerWaalsContact C-N 3.3Å; T216-K218 PolarHBondContact O-N 3.22Å; K218-F220 PolarHBondContact O-N 3.43Å; K218-W221 WeakPolarHBondContact O-CB 3.43Å; K218-W221 PolarHBondContact O-N 3.49Å; K218-M222 WeakPolarHBondContact O-CG 3.39Å; K218-M222 PolarHBondContact O-N 3.14Å
219V96.6Very high93.9Very high2 Ų245.8 Ų45.81%0.01222%0.221CC..Hα-helixtrans-60.4-46.8177.8168.70000110.8Q215 T216 W221 M222 F223 I279 L283 M346Q215-V219 WeakPolarHBondContact O-CG2 3.18Å; Q215-V219 PolarHBondContact O-N 3.27Å; T216-V219 PolarHBondContact O-N 2.73Å; V219-W221 PolarHBondContact O-N 3.2Å; V219-M222 WeakPolarHBondContact O-CB 3.33Å; V219-M222 PolarHBondContact O-N 2.92Å; V219-M222 VanDerWaalsContact O-N 3.13Å; V219-F223 HydrophobicContact CG1-CE1 4.32Å; V219-F223 HydrophobicContact CG1-CE2 4.13Å; V219-F223 HydrophobicContact CG1-CZ 4Å; V219-F223 PolarHBondContact O-N 3.39Å; V219-I279 HydrophobicContact CG1-CB 4.39Å; V219-I279 HydrophobicContact CG1-CD1 3.89Å; V219-I279 HydrophobicContact CG1-CG1 3.69Å; V219-I279 HydrophobicContact CG1-CG2 4.09Å; V219-I279 HydrophobicContact CG2-CG2 4.1Å; V219-L283 HydrophobicContact CG2-CD2 3.63Å; V219-L283 HydrophobicContact CG2-CG 4.19Å; V219-M346 HydrophobicContact CG2-CE 3.74Å
220F97.5Very high94.3Very high4 Ų442.9 Ų42.92%0.01821%0.205CC..Hα-helixtrans-64.3-39.2177.4-73.9-26.7000112.9N130 F132 T216 K218 M222 F223 T224 F258 I261 A265N130-F220 HydrophobicContact CB-CB 4.05Å; F132-F220 HydrophobicContact CD2-CB 4.48Å; F132-F220 HydrophobicContact CE2-CB 3.83Å; F132-F220 HydrophobicContact CE2-CG 4.17Å; T216-F220 HydrophobicContact CG2-CD2 3.89Å; T216-F220 HydrophobicContact CG2-CE2 3.56Å; T216-F220 HydrophobicContact CG2-CZ 4.18Å; T216-F220 PolarHBondContact O-N 3Å; K218-F220 PolarHBondContact O-N 3.43Å; F220-M222 VanDerWaalsContact C-N 3.31Å; F220-M222 PolarHBondContact O-N 2.87Å; F220-F223 AromaticContact CD1-CD2 3.8Å; F220-F223 HydrophobicContact CD1-CD2 3.8Å; F220-F223 HydrophobicContact CD1-CE2 4.13Å; F220-F223 HydrophobicContact CE1-CD2 4.32Å; F220-F223 HydrophobicContact CE1-CE2 4.27Å; F220-F223 WeakPolarHBondContact O-CB 3.27Å; F220-F223 PolarHBondContact O-N 2.79Å; F220-T224 WeakPolarHBondContact O-CG2 3.31Å; F220-T224 PolarHBondContact O-N 2.99Å; F220-F258 HydrophobicContact CE2-CD2 4.34Å; F220-F258 AromaticContact CE2-CE2 3.79Å; F220-F258 HydrophobicContact CE2-CE2 3.79Å; F220-F258 HydrophobicContact CZ-CE2 4.46Å; F220-I261 HydrophobicContact CD1-CG2 4.14Å; F220-I261 HydrophobicContact CD2-CG2 3.77Å; F220-I261 HydrophobicContact CE1-CG2 3.92Å; F220-I261 HydrophobicContact CE2-CB 4.27Å; F220-I261 HydrophobicContact CE2-CG2 3.5Å; F220-I261 VanDerWaalsContact CE2-CG2 3.5Å; F220-I261 HydrophobicContact CG-CG2 4.08Å; F220-I261 HydrophobicContact CZ-CB 4.42Å; F220-I261 HydrophobicContact CZ-CG2 3.6Å; F220-A265 HydrophobicContact CE1-CB 4.02Å
221W97.4Very high94.8Very high123 Ų12344 Ų4447%0.46621%0.209SC..Hα-helixtrans-55.4-47.3170.417378000111.5N130 A217 K218 V219 F223 T224 I225N130-W221 WeakPolarHBondContact O-CA 3.29Å; N130-W221 PolarHBondContact O-N 2.76Å; A217-W221 WeakPolarHBondContact O-CB 3.1Å; A217-W221 PolarHBondContact O-N 3.32Å; K218-W221 WeakPolarHBondContact O-CB 3.43Å; K218-W221 PolarHBondContact O-N 3.49Å; V219-W221 PolarHBondContact O-N 3.2Å; W221-F223 PolarHBondContact O-N 3.28Å; W221-T224 WeakPolarHBondContact O-CB 3.08Å; W221-T224 PolarHBondContact O-N 3.39Å; W221-T224 PolarHBondContact O-OG1 3.25Å; W221-I225 HydrophobicContact CD2-CG1 4.39Å; W221-I225 HydrophobicContact CZ2-CD1 4.36Å; W221-I225 HydrophobicContact CZ2-CG1 4.03Å; W221-I225 PolarHBondContact O-N 2.89Å
222M96.1Very high95.2Very high36 Ų3640.6 Ų40.618%0.17720%0.196CC..Hα-helixtrans-60.4-42.7177.3-67.6178.872.700112K218 V219 F220 T224 I225 L226 V282K218-M222 WeakPolarHBondContact O-CG 3.39Å; K218-M222 PolarHBondContact O-N 3.14Å; V219-M222 WeakPolarHBondContact O-CB 3.33Å; V219-M222 PolarHBondContact O-N 2.92Å; V219-M222 VanDerWaalsContact O-N 3.13Å; F220-M222 VanDerWaalsContact C-N 3.31Å; F220-M222 PolarHBondContact O-N 2.87Å; M222-T224 PolarHBondContact O-N 3.05Å; M222-I225 PolarHBondContact O-N 3.24Å; M222-L226 WeakPolarHBondContact O-CB 3.38Å; M222-L226 VanDerWaalsContact O-CG 3.3Å; M222-L226 WeakPolarHBondContact O-CG 3.37Å; M222-L226 PolarHBondContact O-N 3.13Å; M222-V282 HydrophobicContact CB-CG1 4.1Å; M222-V282 HydrophobicContact CE-CG1 3.54Å; M222-V282 HydrophobicContact CG-CG1 4.38Å; M222-V282 HydrophobicContact SD-CG1 3.4Å; M222-V282 WeakPolarHBondContact SD-CG1 3.37Å
223F97.2Very high95.6Very high0 Ų039.7 Ų39.70%019%0.189CC..Hα-helixtrans-56-39.3172.7-72.2-13.6000112.2V219 F220 W221 I225 L226 Q227 A265 L276 P277 I279 V282V219-F223 HydrophobicContact CG1-CE1 4.32Å; V219-F223 HydrophobicContact CG1-CE2 4.13Å; V219-F223 HydrophobicContact CG1-CZ 4Å; V219-F223 PolarHBondContact O-N 3.39Å; F220-F223 AromaticContact CD1-CD2 3.8Å; F220-F223 HydrophobicContact CD1-CD2 3.8Å; F220-F223 HydrophobicContact CD1-CE2 4.13Å; F220-F223 HydrophobicContact CE1-CD2 4.32Å; F220-F223 HydrophobicContact CE1-CE2 4.27Å; F220-F223 WeakPolarHBondContact O-CB 3.27Å; F220-F223 PolarHBondContact O-N 2.79Å; W221-F223 PolarHBondContact O-N 3.28Å; F223-I225 VanDerWaalsContact C-N 3.26Å; F223-I225 PolarHBondContact O-N 3.43Å; F223-L226 PolarHBondContact O-N 3.28Å; F223-Q227 PolarHBondContact O-N 3.5Å; F223-A265 HydrophobicContact CD2-CB 4.23Å; F223-A265 HydrophobicContact CE2-CB 4.03Å; F223-L276 HydrophobicContact CB-CD1 4.19Å; F223-L276 HydrophobicContact CB-CD2 3.74Å; F223-L276 HydrophobicContact CD1-CD1 4.47Å; F223-L276 HydrophobicContact CD1-CD2 3.9Å; F223-L276 HydrophobicContact CD2-CD1 3.79Å; F223-L276 HydrophobicContact CE2-CD1 4.23Å; F223-L276 HydrophobicContact CG-CD1 3.94Å; F223-L276 HydrophobicContact CG-CD2 3.84Å; F223-L276 HydrophobicContact CG-CG 4.43Å; F223-P277 HydrophobicContact CE1-CG 4.11Å; F223-P277 WeakPolarHBondContact CE1-O 3.43Å; F223-I279 HydrophobicContact CE2-CG1 4.3Å; F223-I279 HydrophobicContact CZ-CG1 3.75Å; F223-V282 HydrophobicContact CD1-CG2 4.32Å; F223-V282 HydrophobicContact CE1-CG2 3.76Å
224T96.7Very high96Very high3 Ų337.8 Ų37.82%0.01818%0.176CC..Hα-helixtrans-68.7-24.5178.782.70000114.6N130 F132 F220 W221 M222 I230 K231N130-T224 VanDerWaalsContact O-CG2 3.24Å; N130-T224 WeakPolarHBondContact O-CG2 3.19Å; F132-T224 HydrophobicContact CD1-CG2 4Å; F132-T224 HydrophobicContact CE1-CG2 3.36Å; F132-T224 HydrophobicContact CE2-CG2 4.18Å; F132-T224 HydrophobicContact CZ-CG2 3.46Å; F132-T224 VanDerWaalsContact CZ-CG2 3.46Å; F220-T224 WeakPolarHBondContact O-CG2 3.31Å; F220-T224 PolarHBondContact O-N 2.99Å; W221-T224 WeakPolarHBondContact O-CB 3.08Å; W221-T224 PolarHBondContact O-N 3.39Å; W221-T224 PolarHBondContact O-OG1 3.25Å; M222-T224 PolarHBondContact O-N 3.05Å; T224-I230 HydrophobicContact CG2-CG2 4.44Å; T224-K231 HydrophobicContact CG2-CG 4.46Å
225I94.9Very high96.4Very high103 Ų10333.1 Ų33.153%0.52816%0.158SC..Hα-helixtrans-81.4-45.5174.8-60.5-57.4000110W221 M222 F223W221-I225 HydrophobicContact CD2-CG1 4.39Å; W221-I225 HydrophobicContact CZ2-CD1 4.36Å; W221-I225 HydrophobicContact CZ2-CG1 4.03Å; W221-I225 PolarHBondContact O-N 2.89Å; M222-I225 PolarHBondContact O-N 3.24Å; F223-I225 VanDerWaalsContact C-N 3.26Å; F223-I225 PolarHBondContact O-N 3.43Å
226L94.3Very high96.7Very high34 Ų3429.5 Ų29.518%0.17814%0.141CC..Hα-helixtrans-67.9-38.1-177.9-69.7171.2000112.4M222 F223 P277 V282 L289 W292M222-L226 WeakPolarHBondContact O-CB 3.38Å; M222-L226 VanDerWaalsContact O-CG 3.3Å; M222-L226 WeakPolarHBondContact O-CG 3.37Å; M222-L226 PolarHBondContact O-N 3.13Å; F223-L226 PolarHBondContact O-N 3.28Å; L226-P277 HydrophobicContact CD1-CG 3.89Å; L226-V282 HydrophobicContact CD1-CG2 4.43Å; L226-L289 HydrophobicContact CD1-CD1 4.12Å; L226-W292 HydrophobicContact CB-CH2 4.42Å; L226-W292 HydrophobicContact CB-CZ3 4.05Å; L226-W292 HydrophobicContact CD1-CZ3 4.34Å; L226-W292 HydrophobicContact CD2-CZ3 4.24Å; L226-W292 HydrophobicContact CG-CZ3 4.45Å
227Q95.3Very high96.9Very high18 Ų1828.9 Ų28.98%0.08414%0.137CC..  trans-141.489.2179.2-177.554.4-85.500111.2F223 S229 I230 M268 L275 L276F223-Q227 PolarHBondContact O-N 3.5Å; Q227-S229 VanDerWaalsContact CD-OG 3.26Å; Q227-S229 WeakPolarHBondContact CG-OG 3.28Å; Q227-S229 PolarHBondContact O-N 3.01Å; Q227-S229 VanDerWaalsContact O-N 3.09Å; Q227-S229 PolarHBondContact OE1-OG 3.5Å; Q227-I230 WeakPolarHBondContact O-CG2 3.39Å; Q227-I230 PolarHBondContact O-N 2.89Å; Q227-M268 HydrophobicContact CB-CE 4.5Å; Q227-M268 HydrophobicContact CG-CE 3.51Å; Q227-L275 WeakPolarHBondContact CB-O 3.23Å; Q227-L275 HydrophobicContact CG-CB 4.35Å; Q227-L275 WeakPolarHBondContact CG-O 3.28Å; Q227-L276 HydrophobicContact CB-CD2 3.65Å; Q227-L276 HydrophobicContact CG-CD2 4.48Å
228P95.4Very high97Very high57 Ų5729.3 Ų29.337%0.3714%0.138SC..THydrogen-bonded Turntrans-61.8-17.2-178.7-26.136000115.4I230 K231P228-I230 PolarHBondContact O-N 3.29Å; P228-K231 PolarHBondContact O-N 2.8Å
229S96.5Very high97.1Very high21 Ų2126.3 Ų26.315%0.14712%0.124CC..Hα-helixtrans-64.3-25.5177.868.30000113Q227 K231 R232 L233 S299Q227-S229 VanDerWaalsContact CD-OG 3.26Å; Q227-S229 WeakPolarHBondContact CG-OG 3.28Å; Q227-S229 PolarHBondContact O-N 3.01Å; Q227-S229 VanDerWaalsContact O-N 3.09Å; Q227-S229 PolarHBondContact OE1-OG 3.5Å; S229-K231 PolarHBondContact O-N 3.07Å; S229-K231 VanDerWaalsContact O-N 3.15Å; S229-R232 PolarHBondContact O-N 3.21Å; S229-R232 VanDerWaalsContact O-N 3.15Å; S229-L233 PolarHBondContact O-N 3.41Å; S229-S299 VanDerWaalsContact CB-OG 3.28Å; S229-S299 WeakPolarHBondContact CB-OG 3.47Å; S229-S299 WeakPolarHBondContact OG-CB 3.44Å; S229-S299 PolarHBondContact OG-OG 3.19Å
230I98Very high97.2Very high0 Ų026.3 Ų26.30%012%0.124CC..Hα-helixtrans-55.6-34.1174.4-172.7166.3000112.2F132 T224 Q227 P228 L234 V264 M268 L276F132-I230 HydrophobicContact CE1-CG1 4.23Å; F132-I230 HydrophobicContact CE1-CG2 4.03Å; F132-I230 HydrophobicContact CZ-CD1 3.9Å; F132-I230 HydrophobicContact CZ-CG1 4.09Å; F132-I230 HydrophobicContact CZ-CG2 4.2Å; T224-I230 HydrophobicContact CG2-CG2 4.44Å; Q227-I230 WeakPolarHBondContact O-CG2 3.39Å; Q227-I230 PolarHBondContact O-N 2.89Å; P228-I230 PolarHBondContact O-N 3.29Å; I230-L234 WeakPolarHBondContact O-CB 3.41Å; I230-L234 PolarHBondContact O-N 3.07Å; I230-V264 HydrophobicContact CD1-CG1 4.3Å; I230-V264 HydrophobicContact CG1-CG1 3.96Å; I230-M268 HydrophobicContact CB-CE 4.04Å; I230-M268 HydrophobicContact CB-SD 3.58Å; I230-M268 VanDerWaalsContact CB-SD 3.58Å; I230-M268 HydrophobicContact CD1-SD 4.04Å; I230-M268 HydrophobicContact CG1-SD 3.69Å; I230-L276 HydrophobicContact CD1-CD1 3.67Å
231K98.1Very high97.2Very high44 Ų4426.1 Ų26.119%0.19112%0.123CC..Hα-helixtrans-63.2-46-179.7-61.7-174-174179.10111.4Y89 F132 T224 P228 S229 F235Y89-K231 HydrophobicContact CD2-CB 4.43Å; Y89-K231 HydrophobicContact CE2-CB 3.79Å; Y89-K231 HydrophobicContact CE2-CD 4.37Å; Y89-K231 WeakPolarHBondContact OH-CD 3.41Å; F132-K231 HydrophobicContact CD1-CG 4.44Å; F132-K231 HydrophobicContact CE1-CG 4.24Å; T224-K231 HydrophobicContact CG2-CG 4.46Å; P228-K231 PolarHBondContact O-N 2.8Å; S229-K231 PolarHBondContact O-N 3.07Å; S229-K231 VanDerWaalsContact O-N 3.15Å; K231-F235 WeakPolarHBondContact O-CB 3.48Å; K231-F235 WeakPolarHBondContact O-CD2 3.41Å; K231-F235 WeakPolarHBondContact O-CG 3.29Å; K231-F235 PolarHBondContact O-N 3.28Å; K231-F235 VanDerWaalsContact O-N 3.09Å
232R97.8Very high97.1Very high61 Ų6124.8 Ų24.823%0.2312%0.118CC..Hα-helixtrans-65.4-48.8-179.3-80.374.2177.1-161.40.4110.3I85 E86 Y89 S229 L234 F235 V236I85-R232 HydrophobicContact CG2-CB 3.83Å; I85-R232 HydrophobicContact CG2-CG 4.21Å; E86-R232 IonicContact OE1-CZ 2.72Å; E86-R232 IonicContact OE1-NE 3.21Å; E86-R232 IonicContact OE1-NH2 3.42Å; E86-R232 PolarHBondContact OE1-NH2 3.13Å; E86-R232 IonicContact OE2-CZ 3.05Å; E86-R232 IonicContact OE2-NE 3.94Å; E86-R232 PolarHBondContact OE2-NE 3.41Å; E86-R232 IonicContact OE2-NH2 2.66Å; E86-R232 PolarHBondContact OE2-NH2 2.99Å; Y89-R232 HydrophobicContact CD1-CG 4.39Å; Y89-R232 HydrophobicContact CG-CG 4.29Å; S229-R232 PolarHBondContact O-N 3.21Å; S229-R232 VanDerWaalsContact O-N 3.15Å; R232-L234 PolarHBondContact O-N 3.44Å; R232-F235 PolarHBondContact O-N 3.21Å; R232-V236 WeakPolarHBondContact O-CG2 3.44Å; R232-V236 PolarHBondContact O-N 2.95Å
233L98.5Very high97.1Very high4 Ų426.5 Ų26.52%0.02113%0.125CC..Hα-helixtrans-56.9-53.2179.4-177.863.3000111.6S229 F235 V236 I237 V264 F267 M268 L305 L306 F309S229-L233 PolarHBondContact O-N 3.41Å; L233-F235 PolarHBondContact O-N 3.46Å; L233-V236 PolarHBondContact O-N 2.91Å; L233-I237 HydrophobicContact CD1-CD1 3.67Å; L233-I237 HydrophobicContact CD1-CG1 4.43Å; L233-I237 HydrophobicContact CG-CD1 3.7Å; L233-I237 WeakPolarHBondContact O-CG1 3.45Å; L233-I237 PolarHBondContact O-N 3.17Å; L233-V264 HydrophobicContact CD2-CG1 3.73Å; L233-V264 HydrophobicContact CG-CG1 4.08Å; L233-F267 HydrophobicContact CD2-CD1 4.1Å; L233-F267 HydrophobicContact CD2-CE1 3.96Å; L233-M268 HydrophobicContact CD2-CG 4.22Å; L233-M268 HydrophobicContact CD2-SD 4Å; L233-L305 HydrophobicContact CB-CD2 4.42Å; L233-L305 HydrophobicContact CD1-CG 4.31Å; L233-L305 HydrophobicContact CD2-CD2 3.81Å; L233-L305 HydrophobicContact CD2-CG 3.9Å; L233-L306 HydrophobicContact CD1-CB 4.05Å; L233-L306 HydrophobicContact CD1-CD1 3.99Å; L233-F309 HydrophobicContact CD1-CB 4.44Å
234L98.4Very high97Very high0 Ų026.9 Ų26.90%013%0.127CC..Hα-helixtrans-64-38.4-177.9178.164.1000112.8F132 I230 R232 V236 I237 R238 I261 V264F132-L234 HydrophobicContact CB-CD2 3.88Å; F132-L234 HydrophobicContact CD1-CD2 3.36Å; F132-L234 HydrophobicContact CD2-CD2 3.66Å; F132-L234 HydrophobicContact CE1-CD2 3.6Å; F132-L234 HydrophobicContact CE2-CD2 3.89Å; F132-L234 HydrophobicContact CG-CD2 3.37Å; F132-L234 HydrophobicContact CZ-CD2 3.86Å; I230-L234 WeakPolarHBondContact O-CB 3.41Å; I230-L234 PolarHBondContact O-N 3.07Å; R232-L234 PolarHBondContact O-N 3.44Å; L234-V236 VanDerWaalsContact C-N 3.34Å; L234-V236 PolarHBondContact O-N 3.41Å; L234-I237 PolarHBondContact O-N 2.92Å; L234-R238 WeakPolarHBondContact O-CB 3.3Å; L234-R238 PolarHBondContact O-N 3.32Å; L234-I261 HydrophobicContact CD1-CB 4.44Å; L234-I261 HydrophobicContact CD1-CG1 3.92Å; L234-I261 HydrophobicContact CD2-CG1 3.9Å; L234-I261 HydrophobicContact CD2-CG2 4.44Å; L234-V264 HydrophobicContact CB-CG1 4.39Å; L234-V264 HydrophobicContact CD1-CB 4.32Å; L234-V264 HydrophobicContact CD1-CG2 3.99Å
235F98.3Very high96.9Very high2 Ų227.9 Ų27.91%0.00914%0.138CC..Hα-helixtrans-64.5-41.1-179.2-90.7-123.6000112.1L88 Y89 T92 R93 A133 Q134 K231 R232 L233 R239L88-F235 HydrophobicContact CD2-CB 4.06Å; Y89-F235 HydrophobicContact CD2-CB 4.37Å; Y89-F235 AromaticContact CD2-CD1 3.72Å; Y89-F235 HydrophobicContact CD2-CD1 3.72Å; Y89-F235 HydrophobicContact CD2-CD2 4.13Å; Y89-F235 AromaticContact CD2-CE1 3.95Å; Y89-F235 HydrophobicContact CD2-CE1 3.95Å; Y89-F235 HydrophobicContact CD2-CE2 4.31Å; Y89-F235 AromaticContact CD2-CG 3.81Å; Y89-F235 HydrophobicContact CD2-CG 3.81Å; Y89-F235 HydrophobicContact CD2-CZ 4.23Å; Y89-F235 HydrophobicContact CE2-CD1 4.37Å; Y89-F235 HydrophobicContact CE2-CD2 4.35Å; Y89-F235 HydrophobicContact CE2-CE1 4.18Å; Y89-F235 HydrophobicContact CE2-CE2 4.14Å; Y89-F235 HydrophobicContact CE2-CG 4.45Å; Y89-F235 HydrophobicContact CE2-CZ 4.06Å; T92-F235 WeakPolarHBondContact OG1-CD1 3.42Å; R93-F235 HydrophobicContact CB-CE1 3.72Å; R93-F235 HydrophobicContact CB-CZ 4.02Å; A133-F235 WeakPolarHBondContact O-CZ 3.44Å; Q134-F235 HydrophobicContact CG-CD1 3.92Å; Q134-F235 HydrophobicContact CG-CE1 3.4Å; Q134-F235 VanDerWaalsContact CG-CE1 3.4Å; Q134-F235 HydrophobicContact CG-CE2 4.47Å; Q134-F235 HydrophobicContact CG-CZ 3.73Å; K231-F235 WeakPolarHBondContact O-CB 3.48Å; K231-F235 WeakPolarHBondContact O-CD2 3.41Å; K231-F235 WeakPolarHBondContact O-CG 3.29Å; K231-F235 PolarHBondContact O-N 3.28Å; K231-F235 VanDerWaalsContact O-N 3.09Å; R232-F235 PolarHBondContact O-N 3.21Å; L233-F235 PolarHBondContact O-N 3.46Å; F235-R239 WeakPolarHBondContact O-CB 3.46Å; F235-R239 PolarHBondContact O-N 2.78Å
236V98.4Very high97Very high1 Ų123 Ų231%0.00611%0.114CC..Hα-helixtrans-68.8-48.5177.11780000110.3I85 L88 R232 L233 L234 R238 R239 W240 L306 L391 L394I85-V236 HydrophobicContact CB-CG2 4.02Å; I85-V236 HydrophobicContact CG1-CG2 3.75Å; I85-V236 HydrophobicContact CG2-CG2 3.61Å; L88-V236 HydrophobicContact CD1-CG2 4.5Å; L88-V236 HydrophobicContact CD2-CG2 4.25Å; R232-V236 WeakPolarHBondContact O-CG2 3.44Å; R232-V236 PolarHBondContact O-N 2.95Å; L233-V236 PolarHBondContact O-N 2.91Å; L234-V236 VanDerWaalsContact C-N 3.34Å; L234-V236 PolarHBondContact O-N 3.41Å; V236-R238 VanDerWaalsContact C-N 3.32Å; V236-R238 PolarHBondContact O-N 3.42Å; V236-R239 PolarHBondContact O-N 3.24Å; V236-W240 VanDerWaalsContact O-CB 3.29Å; V236-W240 WeakPolarHBondContact O-CB 3.4Å; V236-W240 PolarHBondContact O-N 2.65Å; V236-L306 HydrophobicContact CG1-CD1 4.41Å; V236-L306 HydrophobicContact CG1-CD2 3.74Å; V236-L391 HydrophobicContact CG1-CD1 4.4Å; V236-L391 HydrophobicContact CG1-CD2 3.83Å; V236-L391 HydrophobicContact CG2-CD1 4.34Å; V236-L394 HydrophobicContact CG1-CD2 4.16Å
237I98.7Very high97Very high0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-60.1-43179.2-69.3165.9000111.1L233 L234 W240 A241 L260 V264 L306 F309L233-I237 HydrophobicContact CD1-CD1 3.67Å; L233-I237 HydrophobicContact CD1-CG1 4.43Å; L233-I237 HydrophobicContact CG-CD1 3.7Å; L233-I237 WeakPolarHBondContact O-CG1 3.45Å; L233-I237 PolarHBondContact O-N 3.17Å; L234-I237 PolarHBondContact O-N 2.92Å; I237-W240 HydrophobicContact CG2-CE3 4.35Å; I237-W240 PolarHBondContact O-N 3.28Å; I237-A241 VanDerWaalsContact O-CB 3.27Å; I237-A241 WeakPolarHBondContact O-CB 3.42Å; I237-A241 PolarHBondContact O-N 3.03Å; I237-L260 HydrophobicContact CG2-CD2 4.25Å; I237-V264 HydrophobicContact CD1-CG2 3.53Å; I237-V264 HydrophobicContact CG2-CG2 4.34Å; I237-L306 HydrophobicContact CD1-CD1 4.02Å; I237-L306 HydrophobicContact CG1-CD1 3.48Å; I237-L306 VanDerWaalsContact CG1-CD1 3.48Å; I237-F309 HydrophobicContact CD1-CB 4.41Å; I237-F309 HydrophobicContact CD1-CD1 3.44Å; I237-F309 VanDerWaalsContact CD1-CD1 3.44Å; I237-F309 HydrophobicContact CD1-CD2 3.9Å; I237-F309 HydrophobicContact CD1-CE1 3.58Å; I237-F309 HydrophobicContact CD1-CE2 3.98Å; I237-F309 HydrophobicContact CD1-CG 3.64Å; I237-F309 HydrophobicContact CD1-CZ 3.85Å; I237-F309 HydrophobicContact CG1-CD1 4.09Å; I237-F309 HydrophobicContact CG1-CE1 4.06Å; I237-F309 HydrophobicContact CG2-CE1 4.06Å; I237-F309 HydrophobicContact CG2-CZ 4.15Å
238R97.8Very high96.8Very high13 Ų1323.5 Ų23.55%0.04911%0.112CC..Hα-helixtrans-66.2-40.8177.8-170.8-172-64.5155.6-2112F132 Q134 L234 V236 R242 I247 N257F132-R238 PolarHBondContact O-NH1 3.14Å; Q134-R238 VanDerWaalsContact OE1-CD 3.31Å; L234-R238 WeakPolarHBondContact O-CB 3.3Å; L234-R238 PolarHBondContact O-N 3.32Å; V236-R238 VanDerWaalsContact C-N 3.32Å; V236-R238 PolarHBondContact O-N 3.42Å; R238-R242 WeakPolarHBondContact O-CB 3.42Å; R238-R242 PolarHBondContact O-N 3.18Å; R238-R242 VanDerWaalsContact O-N 3.11Å; R238-I247 HydrophobicContact CG-CD1 4.04Å; R238-N257 WeakPolarHBondContact CD-OD1 3.32Å; R238-N257 WeakPolarHBondContact CG-OD1 3.24Å
239R97.2Very high96.3Very high27 Ų2730.4 Ų30.410%0.10214%0.14CC..Hα-helixtrans-63.9-50.6175.9-17373.8-173.9-139.26.3109.9L88 F235 V236 A241 R242 E243 L395L88-R239 HydrophobicContact CD1-CB 4.24Å; L88-R239 HydrophobicContact CD1-CG 4.17Å; F235-R239 WeakPolarHBondContact O-CB 3.46Å; F235-R239 PolarHBondContact O-N 2.78Å; V236-R239 PolarHBondContact O-N 3.24Å; R239-A241 PolarHBondContact O-N 3.12Å; R239-R242 WeakPolarHBondContact O-CB 3.42Å; R239-R242 PolarHBondContact O-N 3.37Å; R239-R242 VanDerWaalsContact O-N 3.14Å; R239-E243 HydrophobicContact CG-CG 4.21Å; R239-E243 IonicContact CZ-OE1 2.61Å; R239-E243 IonicContact NE-OE1 3.83Å; R239-E243 PolarHBondContact NE-OE1 3.27Å; R239-E243 IonicContact NH2-OE1 3.6Å; R239-E243 PolarHBondContact NH2-OE1 2.9Å; R239-E243 WeakPolarHBondContact O-CG 3.36Å; R239-E243 PolarHBondContact O-N 3.34Å; R239-L395 HydrophobicContact CB-CD2 4.23Å; R239-L395 HydrophobicContact CG-CD1 3.95Å; R239-L395 HydrophobicContact CG-CD2 3.85Å
240W98.3Very high95.8Very high1 Ų133.8 Ų33.80%0.00415%0.153CC..Hα-helixtrans-49.8-60.1175.3166.568.5000111.6V236 I237 R242 E243 I244 L246 F310 C367 M368 A371 L394 L395 Y400V236-W240 VanDerWaalsContact O-CB 3.29Å; V236-W240 WeakPolarHBondContact O-CB 3.4Å; V236-W240 PolarHBondContact O-N 2.65Å; I237-W240 HydrophobicContact CG2-CE3 4.35Å; I237-W240 PolarHBondContact O-N 3.28Å; W240-R242 PolarHBondContact O-N 3.1Å; W240-R242 VanDerWaalsContact O-N 3.11Å; W240-E243 PolarHBondContact O-N 3.44Å; W240-E243 VanDerWaalsContact O-N 3.15Å; W240-I244 HydrophobicContact CD2-CD1 4.37Å; W240-I244 HydrophobicContact CH2-CD1 4.45Å; W240-I244 HydrophobicContact CZ2-CD1 3.67Å; W240-I244 VanDerWaalsContact O-CG1 3.31Å; W240-I244 WeakPolarHBondContact O-CG1 3.23Å; W240-I244 PolarHBondContact O-N 2.95Å; W240-L246 HydrophobicContact CH2-CD1 3.49Å; W240-L246 VanDerWaalsContact CH2-CD1 3.49Å; W240-L246 HydrophobicContact CZ2-CD1 4Å; W240-L246 HydrophobicContact CZ3-CD1 3.81Å; W240-F310 HydrophobicContact CD2-CE1 4.24Å; W240-F310 HydrophobicContact CD2-CZ 4.03Å; W240-F310 AromaticContact CE3-CE1 3.83Å; W240-F310 HydrophobicContact CE3-CE1 3.83Å; W240-F310 HydrophobicContact CE3-CZ 4.02Å; W240-F310 HydrophobicContact CH2-CD1 4.43Å; W240-F310 AromaticContact CH2-CE1 3.74Å; W240-F310 HydrophobicContact CH2-CE1 3.74Å; W240-F310 HydrophobicContact CH2-CZ 4.39Å; W240-F310 HydrophobicContact CZ2-CE1 4.14Å; W240-F310 HydrophobicContact CZ2-CZ 4.39Å; W240-F310 AromaticContact CZ3-CE1 3.58Å; W240-F310 HydrophobicContact CZ3-CE1 3.58Å; W240-F310 HydrophobicContact CZ3-CZ 4.22Å; W240-C367 HydrophobicContact CH2-CB 4.32Å; W240-C367 HydrophobicContact CZ2-CB 3.82Å; W240-M368 HydrophobicContact CH2-CG 3.71Å; W240-M368 HydrophobicContact CZ2-CG 4.47Å; W240-M368 HydrophobicContact CZ3-CG 4.49Å; W240-A371 HydrophobicContact CZ2-CB 4.27Å; W240-L394 VanDerWaalsContact CD1-O 3.26Å; W240-L394 HydrophobicContact CG-CG 4.42Å; W240-L395 HydrophobicContact CB-CD2 3.94Å; W240-Y400 HydrophobicContact CZ2-CE1 4.41Å; W240-Y400 AromaticContact NE1-CE1 3.64Å; W240-Y400 AromaticContact NE1-CZ 3.34Å; W240-Y400 VanDerWaalsContact NE1-CZ 3.34Å; W240-Y400 PolarHBondContact NE1-OH 2.73Å
241A98Very high95.2Very high0 Ų039.3 Ų39.30%019%0.189CC..Hα-helixtrans-59-30.1-178.200000113.1I237 R239 G245 L246 I247 L260I237-A241 VanDerWaalsContact O-CB 3.27Å; I237-A241 WeakPolarHBondContact O-CB 3.42Å; I237-A241 PolarHBondContact O-N 3.03Å; R239-A241 PolarHBondContact O-N 3.12Å; A241-G245 PolarHBondContact O-N 3.44Å; A241-L246 HydrophobicContact CB-CB 4.08Å; A241-L246 WeakPolarHBondContact O-CA 3.24Å; A241-L246 PolarHBondContact O-N 3.26Å; A241-I247 HydrophobicContact CB-CD1 4.29Å; A241-I247 HydrophobicContact CB-CG1 4.31Å; A241-I247 HydrophobicContact CB-CG2 4.09Å; A241-I247 PolarHBondContact O-N 2.81Å; A241-I247 VanDerWaalsContact O-N 3.15Å; A241-L260 HydrophobicContact CB-CD1 3.7Å; A241-L260 HydrophobicContact CB-CD2 4.46Å
242R95.7Very high94.9Very high95 Ų9537.8 Ų37.836%0.35819%0.186SC..Hα-helixtrans-74.3-49.8175.6-172.4-174.6-59.3126.1-0.6112.1Q134 R238 R239 W240 I244 G245 I247Q134-R242 VanDerWaalsContact OE1-NH2 3.16Å; R238-R242 WeakPolarHBondContact O-CB 3.42Å; R238-R242 PolarHBondContact O-N 3.18Å; R238-R242 VanDerWaalsContact O-N 3.11Å; R239-R242 WeakPolarHBondContact O-CB 3.42Å; R239-R242 PolarHBondContact O-N 3.37Å; R239-R242 VanDerWaalsContact O-N 3.14Å; W240-R242 PolarHBondContact O-N 3.1Å; W240-R242 VanDerWaalsContact O-N 3.11Å; R242-I244 VanDerWaalsContact C-N 3.29Å; R242-I244 PolarHBondContact O-N 2.83Å; R242-G245 PolarHBondContact O-N 3.29Å; R242-G245 VanDerWaalsContact O-N 3.12Å; R242-I247 HydrophobicContact CB-CD1 4.13Å; R242-I247 HydrophobicContact CB-CG1 4.01Å
243E95.3Very high94.8Very high72 Ų7235.8 Ų35.834%0.33618%0.18SC..Hα-helixtrans-60.6-42.1-177.7-65.7-59.9161.600110.9R239 W240 G245 L395 P397R239-E243 HydrophobicContact CG-CG 4.21Å; R239-E243 IonicContact CZ-OE1 2.61Å; R239-E243 IonicContact NE-OE1 3.83Å; R239-E243 PolarHBondContact NE-OE1 3.27Å; R239-E243 IonicContact NH2-OE1 3.6Å; R239-E243 PolarHBondContact NH2-OE1 2.9Å; R239-E243 WeakPolarHBondContact O-CG 3.36Å; R239-E243 PolarHBondContact O-N 3.34Å; W240-E243 PolarHBondContact O-N 3.44Å; W240-E243 VanDerWaalsContact O-N 3.15Å; E243-G245 VanDerWaalsContact C-N 3.26Å; E243-G245 PolarHBondContact O-N 3.32Å; E243-L395 WeakPolarHBondContact CB-O 3.24Å; E243-L395 HydrophobicContact CG-CB 4.31Å; E243-L395 HydrophobicContact CG-CD2 4.23Å; E243-P397 VanDerWaalsContact O-CG 3.24Å; E243-P397 WeakPolarHBondContact O-CG 3.4Å
244I95.5Very high94.6Very high8 Ų836 Ų364%0.04118%0.181CC..THydrogen-bonded Turntrans-86.15.2-179.673.7155.7000113.4W240 R242 L246 R363 C367 Y400W240-I244 HydrophobicContact CD2-CD1 4.37Å; W240-I244 HydrophobicContact CH2-CD1 4.45Å; W240-I244 HydrophobicContact CZ2-CD1 3.67Å; W240-I244 VanDerWaalsContact O-CG1 3.31Å; W240-I244 WeakPolarHBondContact O-CG1 3.23Å; W240-I244 PolarHBondContact O-N 2.95Å; R242-I244 VanDerWaalsContact C-N 3.29Å; R242-I244 PolarHBondContact O-N 2.83Å; I244-L246 HydrophobicContact CD1-CD1 3.67Å; I244-L246 HydrophobicContact CD1-CD2 4.44Å; I244-L246 HydrophobicContact CD1-CG 3.67Å; I244-L246 HydrophobicContact CG1-CD1 4.26Å; I244-L246 HydrophobicContact CG1-CG 3.89Å; I244-L246 PolarHBondContact O-N 2.88Å; I244-R363 PolarHBondContact O-NH2 2.94Å; I244-C367 HydrophobicContact CD1-CB 3.68Å; I244-Y400 HydrophobicContact CB-CD2 4.13Å; I244-Y400 HydrophobicContact CB-CG 4.3Å; I244-Y400 HydrophobicContact CD1-CD1 3.89Å; I244-Y400 HydrophobicContact CD1-CD2 4.45Å; I244-Y400 HydrophobicContact CD1-CE1 4.12Å; I244-Y400 HydrophobicContact CD1-CG 4.06Å; I244-Y400 HydrophobicContact CG2-CD2 3.42Å; I244-Y400 VanDerWaalsContact CG2-CD2 3.42Å; I244-Y400 HydrophobicContact CG2-CE2 3.56Å; I244-Y400 HydrophobicContact CG2-CG 4.06Å
245G94.8Very high94.6Very high24 Ų2436.1 Ų36.125%0.24718%0.182CC..THydrogen-bonded Turntrans67.432.8175.100000115.7A241 R242 E243 R363A241-G245 PolarHBondContact O-N 3.44Å; R242-G245 PolarHBondContact O-N 3.29Å; R242-G245 VanDerWaalsContact O-N 3.12Å; E243-G245 VanDerWaalsContact C-N 3.26Å; E243-G245 PolarHBondContact O-N 3.32Å; G245-R363 PolarHBondContact O-NH1 3.31Å
246L95.8Very high94.4Very high2 Ų238.1 Ų38.11%0.0120%0.196CC..SBendtrans-81.5-22.1166.9-68.2-176.3000112.6W240 A241 I244 R363 C364 C367W240-L246 HydrophobicContact CH2-CD1 3.49Å; W240-L246 VanDerWaalsContact CH2-CD1 3.49Å; W240-L246 HydrophobicContact CZ2-CD1 4Å; W240-L246 HydrophobicContact CZ3-CD1 3.81Å; A241-L246 HydrophobicContact CB-CB 4.08Å; A241-L246 WeakPolarHBondContact O-CA 3.24Å; A241-L246 PolarHBondContact O-N 3.26Å; I244-L246 HydrophobicContact CD1-CD1 3.67Å; I244-L246 HydrophobicContact CD1-CD2 4.44Å; I244-L246 HydrophobicContact CD1-CG 3.67Å; I244-L246 HydrophobicContact CG1-CD1 4.26Å; I244-L246 HydrophobicContact CG1-CG 3.89Å; I244-L246 PolarHBondContact O-N 2.88Å; L246-R363 HydrophobicContact CD2-CG 4.2Å; L246-C364 HydrophobicContact CD1-CB 4.37Å; L246-C364 HydrophobicContact CD2-CB 4.45Å; L246-C367 HydrophobicContact CD1-CB 4.16Å
247I95.1Very high94.2Very high6 Ų641.2 Ų41.23%0.03121%0.212CC..BIsolated β-bridgetrans-127.8146.9172.570.5-178.2000109.9R238 A241 R242 L255 N257 L260R238-I247 HydrophobicContact CG-CD1 4.04Å; A241-I247 HydrophobicContact CB-CD1 4.29Å; A241-I247 HydrophobicContact CB-CG1 4.31Å; A241-I247 HydrophobicContact CB-CG2 4.09Å; A241-I247 PolarHBondContact O-N 2.81Å; A241-I247 VanDerWaalsContact O-N 3.15Å; R242-I247 HydrophobicContact CB-CD1 4.13Å; R242-I247 HydrophobicContact CB-CG1 4.01Å; I247-L255 WeakPolarHBondContact CA-O 3.48Å; I247-L255 WeakPolarHBondContact CB-O 3.34Å; I247-L255 HydrophobicContact CG2-CB 3.95Å; I247-L255 WeakPolarHBondContact CG2-O 3.44Å; I247-N257 WeakPolarHBondContact CD1-OD1 3.41Å; I247-L260 HydrophobicContact CD1-CD1 3.69Å; I247-L260 HydrophobicContact CG2-CD1 3.56Å; I247-L260 HydrophobicContact CG2-CG 4.06Å
248R91.6Very high94Very high55 Ų5545 Ų4521%0.20823%0.229CC..  trans-129.1169.1179.6-45.4-172.8-166.4-179.6-5.7111.2W254 A407 D408R248-W254 HydrophobicContact CB-CZ2 3.92Å; R248-W254 VanDerWaalsContact CD-CE2 3.5Å; R248-W254 VanDerWaalsContact CD-CZ2 3.48Å; R248-W254 HydrophobicContact CG-CD2 4.04Å; R248-W254 HydrophobicContact CG-CG 4.28Å; R248-W254 HydrophobicContact CG-CZ2 3.98Å; R248-A407 PolarHBondContact NH1-O 3.07Å; R248-D408 IonicContact CZ-OD1 3.46Å; R248-D408 IonicContact NH1-OD1 3.53Å; R248-D408 PolarHBondContact NH1-OD1 2.9Å; R248-D408 IonicContact NH2-OD1 3.34Å
249Q84.8Confident94Very high203 Ų20344.6 Ų44.695%0.94923%0.227SC*.SBendtrans-71.1-34-178.6-68.3-178.5-9.400112.6
250H85.2Confident94Very high91 Ų9143.4 Ų43.442%0.42122%0.223SC..SBendtrans-96.2152.317752.6-87000110.9W254H250-W254 AromaticContact CD2-CH2 3.75Å; H250-W254 AromaticContact CD2-CZ2 3.39Å; H250-W254 WeakPolarHBondContact CD2-CZ2 3.31Å; H250-W254 AromaticContact NE2-CH2 3.48Å; H250-W254 WeakPolarHBondContact NE2-CH2 3.47Å; H250-W254 AromaticContact NE2-CZ2 3.37Å; H250-W254 WeakPolarHBondContact NE2-CZ2 3.3Å; H250-W254 PolarHBondContact O-NE1 2.85Å
251P86.5Confident94Very high117 Ų11743.9 Ų43.976%0.7623%0.226SC*.  trans-64.7149.7173.228.8-35000110.8
252G92.1Very high94Very high11 Ų1144 Ų4411%0.11323%0.226CC..SBendtrans-171.7-157.7178.800000111W254 N355G252-W254 PolarHBondContact O-N 3.32Å; G252-N355 PolarHBondContact O-ND2 3.22Å
253T94.8Very high94.1Very high20 Ų2039.4 Ų39.412%0.12321%0.209CC..SBendtrans-82.50-177.557.90000113.8N355 V356 E357T253-N355 VanDerWaalsContact CA-O 3.28Å; T253-N355 WeakPolarHBondContact CA-O 3.48Å; T253-V356 VanDerWaalsContact O-CA 3.28Å; T253-V356 WeakPolarHBondContact O-CA 3.5Å; T253-E357 HydrophobicContact CG2-CG 3.76Å; T253-E357 VanDerWaalsContact CG2-OE1 3.29Å; T253-E357 WeakPolarHBondContact CG2-OE1 3.38Å; T253-E357 PolarHBondContact O-N 3.28Å
254W95.2Very high94.3Very high9 Ų936 Ų363%0.03419%0.193CC..SBendtrans-98.6177.2178.252.478.3000112.3R248 H250 G252 N355 E360 A407R248-W254 HydrophobicContact CB-CZ2 3.92Å; R248-W254 VanDerWaalsContact CD-CE2 3.5Å; R248-W254 VanDerWaalsContact CD-CZ2 3.48Å; R248-W254 HydrophobicContact CG-CD2 4.04Å; R248-W254 HydrophobicContact CG-CG 4.28Å; R248-W254 HydrophobicContact CG-CZ2 3.98Å; H250-W254 AromaticContact CD2-CH2 3.75Å; H250-W254 AromaticContact CD2-CZ2 3.39Å; H250-W254 WeakPolarHBondContact CD2-CZ2 3.31Å; H250-W254 AromaticContact NE2-CH2 3.48Å; H250-W254 WeakPolarHBondContact NE2-CH2 3.47Å; H250-W254 AromaticContact NE2-CZ2 3.37Å; H250-W254 WeakPolarHBondContact NE2-CZ2 3.3Å; H250-W254 PolarHBondContact O-NE1 2.85Å; G252-W254 PolarHBondContact O-N 3.32Å; W254-N355 PolarHBondContact O-ND2 2.92Å; W254-E360 HydrophobicContact CB-CG 4.33Å; W254-A407 WeakPolarHBondContact CZ3-O 3.4Å
255L97.1Very high94.4Very high2 Ų235.6 Ų35.61%0.0119%0.191CC..BIsolated β-bridgetrans-68.8141.4178.9-69.1169.3000112.2I247 Q259 L260 L263 T353 V356 W361 C364I247-L255 WeakPolarHBondContact CA-O 3.48Å; I247-L255 WeakPolarHBondContact CB-O 3.34Å; I247-L255 HydrophobicContact CG2-CB 3.95Å; I247-L255 WeakPolarHBondContact CG2-O 3.44Å; L255-Q259 VanDerWaalsContact CA-OE1 3.29Å; L255-Q259 HydrophobicContact CD2-CB 3.96Å; L255-L260 HydrophobicContact CD1-CD2 4.17Å; L255-L263 HydrophobicContact CD1-CD1 4.13Å; L255-L263 HydrophobicContact CD2-CD1 4.32Å; L255-T353 HydrophobicContact CD2-CG2 4.49Å; L255-V356 HydrophobicContact CD2-CG2 3.79Å; L255-W361 HydrophobicContact CD1-CE3 4.35Å; L255-W361 HydrophobicContact CD1-CZ3 4.02Å; L255-C364 VanDerWaalsContact CD1-SG 3.59Å
256S95.2Very high94.6Very high44 Ų4434.5 Ų34.531%0.30818%0.179SC..  trans-91.9163.2169.166.80000111.5F258 Q259 L260S256-F258 PolarHBondContact O-N 3.47Å; S256-Q259 PolarHBondContact O-N 2.97Å; S256-Q259 VanDerWaalsContact OG-CD 3.29Å; S256-Q259 WeakPolarHBondContact OG-CG 3.46Å; S256-Q259 PolarHBondContact OG-N 3.25Å; S256-Q259 PolarHBondContact OG-OE1 2.8Å; S256-L260 PolarHBondContact O-N 2.84Å; S256-L260 VanDerWaalsContact O-N 3.12Å
257N94Very high94.8Very high66 Ų6634.5 Ų34.535%0.35318%0.179SC..Hα-helixtrans-55.1-37.7172-76.8-56.5000112.4R238 I247 L260 I261R238-N257 WeakPolarHBondContact CD-OD1 3.32Å; R238-N257 WeakPolarHBondContact CG-OD1 3.24Å; I247-N257 WeakPolarHBondContact CD1-OD1 3.41Å; N257-L260 PolarHBondContact O-N 2.83Å; N257-I261 WeakPolarHBondContact O-CG1 3.4Å; N257-I261 PolarHBondContact O-N 3.31Å
258F94.4Very high94.9Very high78 Ų7834.2 Ų34.234%0.34218%0.178SC..Hα-helixtrans-65.6-45179.1176.7-113.1000111.7T216 F220 S256 L260 I261 C262 I352T216-F258 HydrophobicContact CG2-CE2 3.6Å; T216-F258 HydrophobicContact CG2-CZ 3.94Å; F220-F258 HydrophobicContact CE2-CD2 4.34Å; F220-F258 AromaticContact CE2-CE2 3.79Å; F220-F258 HydrophobicContact CE2-CE2 3.79Å; F220-F258 HydrophobicContact CZ-CE2 4.46Å; S256-F258 PolarHBondContact O-N 3.47Å; F258-L260 VanDerWaalsContact C-N 3.32Å; F258-L260 PolarHBondContact O-N 2.7Å; F258-I261 WeakPolarHBondContact O-CB 3.44Å; F258-I261 PolarHBondContact O-N 2.85Å; F258-C262 PolarHBondContact O-N 2.85Å; F258-C262 VanDerWaalsContact O-N 3.07Å; F258-I352 HydrophobicContact CD1-CG2 3.71Å; F258-I352 HydrophobicContact CE1-CD1 3.91Å; F258-I352 HydrophobicContact CE1-CG1 4.24Å; F258-I352 HydrophobicContact CE1-CG2 3.49Å; F258-I352 VanDerWaalsContact CE1-CG2 3.49Å; F258-I352 HydrophobicContact CZ-CD1 4.24Å
259Q97.5Very high95.2Very high5 Ų532.1 Ų32.12%0.02317%0.17CC..Hα-helixtrans-61.2-39177-74.6157.8-12.400112.1L255 S256 I261 C262 L263 I352 T353 N355L255-Q259 VanDerWaalsContact CA-OE1 3.29Å; L255-Q259 HydrophobicContact CD2-CB 3.96Å; S256-Q259 PolarHBondContact O-N 2.97Å; S256-Q259 VanDerWaalsContact OG-CD 3.29Å; S256-Q259 WeakPolarHBondContact OG-CG 3.46Å; S256-Q259 PolarHBondContact OG-N 3.25Å; S256-Q259 PolarHBondContact OG-OE1 2.8Å; Q259-I261 VanDerWaalsContact C-N 3.31Å; Q259-I261 PolarHBondContact O-N 3.04Å; Q259-C262 WeakPolarHBondContact O-CB 3.46Å; Q259-C262 PolarHBondContact O-N 3.17Å; Q259-L263 WeakPolarHBondContact O-CG 3.41Å; Q259-L263 PolarHBondContact O-N 3.21Å; Q259-I352 HydrophobicContact CG-CG2 3.73Å; Q259-I352 PolarHBondContact NE2-O 2.93Å; Q259-T353 HydrophobicContact CB-CG2 4.31Å; Q259-T353 HydrophobicContact CG-CG2 3.8Å; Q259-N355 PolarHBondContact NE2-OD1 2.89Å
260L97.6Very high95.7Very high3 Ų324 Ų242%0.01614%0.136CC..Hα-helixtrans-60.6-38.6172.7-73.5-179.6000112.8I237 A241 I247 L255 S256 N257 F258 C262 L263 V264I237-L260 HydrophobicContact CG2-CD2 4.25Å; A241-L260 HydrophobicContact CB-CD1 3.7Å; A241-L260 HydrophobicContact CB-CD2 4.46Å; I247-L260 HydrophobicContact CD1-CD1 3.69Å; I247-L260 HydrophobicContact CG2-CD1 3.56Å; I247-L260 HydrophobicContact CG2-CG 4.06Å; L255-L260 HydrophobicContact CD1-CD2 4.17Å; S256-L260 PolarHBondContact O-N 2.84Å; S256-L260 VanDerWaalsContact O-N 3.12Å; N257-L260 PolarHBondContact O-N 2.83Å; F258-L260 VanDerWaalsContact C-N 3.32Å; F258-L260 PolarHBondContact O-N 2.7Å; L260-C262 VanDerWaalsContact C-N 3.33Å; L260-L263 HydrophobicContact CD2-CD1 4.23Å; L260-L263 PolarHBondContact O-N 3.34Å; L260-V264 WeakPolarHBondContact O-CG2 3.22Å; L260-V264 PolarHBondContact O-N 2.84Å
261I97.6Very high96.1Very high11 Ų1122 Ų226%0.05612%0.124CC..Hα-helixtrans-62.5-44.9175.7-60167000109.9F132 F220 L234 N257 F258 Q259 V264 A265F132-I261 HydrophobicContact CD2-CD1 4.24Å; F132-I261 HydrophobicContact CD2-CG2 4.09Å; F132-I261 HydrophobicContact CE2-CG2 3.74Å; F220-I261 HydrophobicContact CD1-CG2 4.14Å; F220-I261 HydrophobicContact CD2-CG2 3.77Å; F220-I261 HydrophobicContact CE1-CG2 3.92Å; F220-I261 HydrophobicContact CE2-CB 4.27Å; F220-I261 HydrophobicContact CE2-CG2 3.5Å; F220-I261 VanDerWaalsContact CE2-CG2 3.5Å; F220-I261 HydrophobicContact CG-CG2 4.08Å; F220-I261 HydrophobicContact CZ-CB 4.42Å; F220-I261 HydrophobicContact CZ-CG2 3.6Å; L234-I261 HydrophobicContact CD1-CB 4.44Å; L234-I261 HydrophobicContact CD1-CG1 3.92Å; L234-I261 HydrophobicContact CD2-CG1 3.9Å; L234-I261 HydrophobicContact CD2-CG2 4.44Å; N257-I261 WeakPolarHBondContact O-CG1 3.4Å; N257-I261 PolarHBondContact O-N 3.31Å; F258-I261 WeakPolarHBondContact O-CB 3.44Å; F258-I261 PolarHBondContact O-N 2.85Å; Q259-I261 VanDerWaalsContact C-N 3.31Å; Q259-I261 PolarHBondContact O-N 3.04Å; I261-V264 PolarHBondContact O-N 2.76Å; I261-A265 VanDerWaalsContact O-CB 3.31Å; I261-A265 WeakPolarHBondContact O-CB 3.44Å; I261-A265 PolarHBondContact O-N 2.73Å
262C98.4Very high96.3Very high1 Ų123.5 Ų23.51%0.00713%0.126CC..Hα-helixtrans-59.7-45.9176.5-67.60000112.2F258 Q259 L260 V264 A265 F266 L326 I342F258-C262 PolarHBondContact O-N 2.85Å; F258-C262 VanDerWaalsContact O-N 3.07Å; Q259-C262 WeakPolarHBondContact O-CB 3.46Å; Q259-C262 PolarHBondContact O-N 3.17Å; L260-C262 VanDerWaalsContact C-N 3.33Å; C262-V264 PolarHBondContact O-N 3.46Å; C262-A265 PolarHBondContact O-N 2.74Å; C262-F266 VanDerWaalsContact O-CB 3.28Å; C262-F266 WeakPolarHBondContact O-CB 3.46Å; C262-F266 PolarHBondContact O-N 3.3Å; C262-L326 HydrophobicContact CB-CD1 3.96Å; C262-I342 HydrophobicContact CB-CD1 3.92Å; C262-I342 HydrophobicContact CB-CG2 4.18Å
263L98.7Very high96.4Very high0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-59.5-46.3177.7-68.5169.8000111.7L255 Q259 L260 F267 F309 F313 L324 I340 I342 W361L255-L263 HydrophobicContact CD1-CD1 4.13Å; L255-L263 HydrophobicContact CD2-CD1 4.32Å; Q259-L263 WeakPolarHBondContact O-CG 3.41Å; Q259-L263 PolarHBondContact O-N 3.21Å; L260-L263 HydrophobicContact CD2-CD1 4.23Å; L260-L263 PolarHBondContact O-N 3.34Å; L263-F267 WeakPolarHBondContact O-CB 3.46Å; L263-F267 PolarHBondContact O-N 2.95Å; L263-F309 HydrophobicContact CB-CE2 4.29Å; L263-F309 HydrophobicContact CB-CZ 4.47Å; L263-F313 HydrophobicContact CB-CE1 4.48Å; L263-F313 HydrophobicContact CB-CE2 4.11Å; L263-F313 HydrophobicContact CB-CZ 3.76Å; L263-F313 HydrophobicContact CD2-CD1 4.19Å; L263-F313 HydrophobicContact CD2-CE1 3.34Å; L263-F313 HydrophobicContact CD2-CE2 4.42Å; L263-F313 HydrophobicContact CD2-CZ 3.5Å; L263-F313 VanDerWaalsContact CD2-CZ 3.5Å; L263-F313 HydrophobicContact CG-CE1 4.46Å; L263-F313 HydrophobicContact CG-CZ 4.22Å; L263-F313 WeakPolarHBondContact O-CZ 3.35Å; L263-L324 HydrophobicContact CD2-CD2 4.05Å; L263-I340 HydrophobicContact CD2-CD1 3.67Å; L263-I342 HydrophobicContact CD2-CD1 3.74Å; L263-I342 HydrophobicContact CG-CD1 4.02Å; L263-W361 HydrophobicContact CD1-CZ3 4.36Å; L263-W361 HydrophobicContact CD2-CH2 4.48Å
264V98.6Very high96.4Very high0 Ų026.6 Ų26.60%015%0.145CC..Hα-helixtrans-65.6-45.1179174.40000111.5I230 L233 L234 I237 L260 I261 C262 F267 M268 F309I230-V264 HydrophobicContact CD1-CG1 4.3Å; I230-V264 HydrophobicContact CG1-CG1 3.96Å; L233-V264 HydrophobicContact CD2-CG1 3.73Å; L233-V264 HydrophobicContact CG-CG1 4.08Å; L234-V264 HydrophobicContact CB-CG1 4.39Å; L234-V264 HydrophobicContact CD1-CB 4.32Å; L234-V264 HydrophobicContact CD1-CG2 3.99Å; I237-V264 HydrophobicContact CD1-CG2 3.53Å; I237-V264 HydrophobicContact CG2-CG2 4.34Å; L260-V264 WeakPolarHBondContact O-CG2 3.22Å; L260-V264 PolarHBondContact O-N 2.84Å; I261-V264 PolarHBondContact O-N 2.76Å; C262-V264 PolarHBondContact O-N 3.46Å; V264-F267 PolarHBondContact O-N 3.03Å; V264-M268 HydrophobicContact CG1-SD 4.32Å; V264-M268 WeakPolarHBondContact O-CG 3.47Å; V264-M268 PolarHBondContact O-N 3.32Å; V264-M268 VanDerWaalsContact O-N 3.1Å; V264-F309 HydrophobicContact CB-CE2 4.43Å; V264-F309 HydrophobicContact CG2-CD2 4.25Å; V264-F309 HydrophobicContact CG2-CE2 3.71Å; V264-F309 HydrophobicContact CG2-CZ 4.2Å
265A98.4Very high96.5Very high0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-61.3-47.7178.200000111.2F220 F223 I261 C262 M268 Q269 L276 L326F220-A265 HydrophobicContact CE1-CB 4.02Å; F223-A265 HydrophobicContact CD2-CB 4.23Å; F223-A265 HydrophobicContact CE2-CB 4.03Å; I261-A265 VanDerWaalsContact O-CB 3.31Å; I261-A265 WeakPolarHBondContact O-CB 3.44Å; I261-A265 PolarHBondContact O-N 2.73Å; C262-A265 PolarHBondContact O-N 2.74Å; A265-M268 PolarHBondContact O-N 3.41Å; A265-Q269 WeakPolarHBondContact O-CG 3.49Å; A265-Q269 PolarHBondContact O-N 2.64Å; A265-L276 HydrophobicContact CB-CD1 4.44Å; A265-L326 HydrophobicContact CB-CD2 4.29Å
266F98.6Very high96.5Very high0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-61.1-47.5178.5-176.7-98.2000112.1C262 M268 Q269 C270 F312 L324 L326 Q330 L331C262-F266 VanDerWaalsContact O-CB 3.28Å; C262-F266 WeakPolarHBondContact O-CB 3.46Å; C262-F266 PolarHBondContact O-N 3.3Å; F266-M268 VanDerWaalsContact C-N 3.26Å; F266-M268 PolarHBondContact O-N 2.66Å; F266-Q269 WeakPolarHBondContact O-CA 3.25Å; F266-Q269 WeakPolarHBondContact O-CB 3.4Å; F266-Q269 PolarHBondContact O-N 3.21Å; F266-C270 HydrophobicContact CE1-CB 4.32Å; F266-C270 WeakPolarHBondContact CE1-SG 3.29Å; F266-C270 VanDerWaalsContact CE2-SG 3.57Å; F266-C270 WeakPolarHBondContact CZ-SG 3.34Å; F266-C270 PolarHBondContact O-N 2.91Å; F266-F312 AromaticContact CD1-CE1 3.94Å; F266-F312 HydrophobicContact CD1-CE1 3.94Å; F266-F312 HydrophobicContact CD1-CZ 4.15Å; F266-F312 AromaticContact CE1-CE1 3.9Å; F266-F312 HydrophobicContact CE1-CE1 3.9Å; F266-F312 AromaticContact CE1-CZ 3.72Å; F266-F312 HydrophobicContact CE1-CZ 3.72Å; F266-L324 HydrophobicContact CB-CD2 4.08Å; F266-L324 HydrophobicContact CD1-CB 3.99Å; F266-L324 HydrophobicContact CD1-CD2 3.26Å; F266-L324 HydrophobicContact CD1-CG 3.48Å; F266-L324 VanDerWaalsContact CD1-CG 3.48Å; F266-L324 HydrophobicContact CD2-CB 3.86Å; F266-L324 HydrophobicContact CD2-CD2 4.46Å; F266-L324 HydrophobicContact CD2-CG 4.28Å; F266-L324 HydrophobicContact CE1-CB 3.96Å; F266-L324 HydrophobicContact CE1-CD1 4.49Å; F266-L324 HydrophobicContact CE1-CD2 3.71Å; F266-L324 HydrophobicContact CE1-CG 3.38Å; F266-L324 HydrophobicContact CE2-CB 3.83Å; F266-L324 HydrophobicContact CE2-CG 4.2Å; F266-L324 HydrophobicContact CG-CB 3.91Å; F266-L324 HydrophobicContact CG-CD2 3.67Å; F266-L324 HydrophobicContact CG-CG 3.92Å; F266-L324 HydrophobicContact CZ-CB 3.86Å; F266-L324 HydrophobicContact CZ-CD2 4.46Å; F266-L324 HydrophobicContact CZ-CG 3.74Å; F266-L326 HydrophobicContact CB-CD2 3.72Å; F266-L326 HydrophobicContact CD2-CD2 4.26Å; F266-Q330 VanDerWaalsContact CE2-O 3.32Å; F266-Q330 WeakPolarHBondContact CE2-O 3.43Å; F266-Q330 WeakPolarHBondContact CZ-O 3.33Å; F266-L331 HydrophobicContact CE1-CD2 3.75Å; F266-L331 HydrophobicContact CE1-CG 4.18Å; F266-L331 HydrophobicContact CZ-CD2 3.69Å; F266-L331 HydrophobicContact CZ-CG 3.92Å
267F98.6Very high96.5Very high3 Ų324.4 Ų24.41%0.01313%0.131CC..Hα-helixtrans-51.2-49.5174.7157.5-109.1000110.7L233 L263 V264 Q269 C270 R271 L305 E308 F309 F312 F313L233-F267 HydrophobicContact CD2-CD1 4.1Å; L233-F267 HydrophobicContact CD2-CE1 3.96Å; L263-F267 WeakPolarHBondContact O-CB 3.46Å; L263-F267 PolarHBondContact O-N 2.95Å; V264-F267 PolarHBondContact O-N 3.03Å; F267-Q269 VanDerWaalsContact C-N 3.29Å; F267-Q269 PolarHBondContact O-N 2.78Å; F267-C270 PolarHBondContact O-N 2.81Å; F267-R271 HydrophobicContact CD2-CG 4.24Å; F267-R271 HydrophobicContact CE1-CG 4.43Å; F267-R271 HydrophobicContact CE2-CG 3.86Å; F267-R271 HydrophobicContact CZ-CG 3.97Å; F267-R271 WeakPolarHBondContact O-CG 3.47Å; F267-R271 PolarHBondContact O-N 3.26Å; F267-R271 VanDerWaalsContact O-N 3.08Å; F267-L305 HydrophobicContact CE1-CD1 3.66Å; F267-L305 HydrophobicContact CE1-CG 4.06Å; F267-L305 HydrophobicContact CZ-CD1 3.81Å; F267-L305 HydrophobicContact CZ-CG 4.5Å; F267-E308 HydrophobicContact CE2-CB 3.99Å; F267-E308 WeakPolarHBondContact CE2-O 3.46Å; F267-E308 HydrophobicContact CZ-CB 3.66Å; F267-F309 HydrophobicContact CB-CD2 3.89Å; F267-F309 HydrophobicContact CB-CE2 4.46Å; F267-F309 HydrophobicContact CD1-CB 3.87Å; F267-F309 AromaticContact CD1-CD2 3.8Å; F267-F309 HydrophobicContact CD1-CD2 3.8Å; F267-F309 HydrophobicContact CD1-CG 4.34Å; F267-F309 HydrophobicContact CD2-CB 4.48Å; F267-F309 HydrophobicContact CE1-CB 3.73Å; F267-F309 HydrophobicContact CE2-CB 4.37Å; F267-F309 HydrophobicContact CG-CB 4.23Å; F267-F309 AromaticContact CG-CD2 3.86Å; F267-F309 HydrophobicContact CG-CD2 3.86Å; F267-F309 HydrophobicContact CZ-CB 4Å; F267-F309 VanDerWaalsContact CZ-N 3.32Å; F267-F312 HydrophobicContact CB-CD1 4.34Å; F267-F312 HydrophobicContact CD2-CB 3.68Å; F267-F312 HydrophobicContact CD2-CD1 4.18Å; F267-F312 HydrophobicContact CD2-CD2 4.41Å; F267-F312 AromaticContact CD2-CG 3.83Å; F267-F312 HydrophobicContact CD2-CG 3.83Å; F267-F312 HydrophobicContact CE2-CB 4.04Å; F267-F313 HydrophobicContact CB-CE2 4.04Å
268M98Very high96.6Very high0 Ų022.4 Ų22.40%012%0.121CC..Hα-helixtrans-67.3-25.5-179.7-68.6-175.876.800113.9Q227 I230 L233 V264 A265 F266 L275 L276 L305Q227-M268 HydrophobicContact CB-CE 4.5Å; Q227-M268 HydrophobicContact CG-CE 3.51Å; I230-M268 HydrophobicContact CB-CE 4.04Å; I230-M268 HydrophobicContact CB-SD 3.58Å; I230-M268 VanDerWaalsContact CB-SD 3.58Å; I230-M268 HydrophobicContact CD1-SD 4.04Å; I230-M268 HydrophobicContact CG1-SD 3.69Å; L233-M268 HydrophobicContact CD2-CG 4.22Å; L233-M268 HydrophobicContact CD2-SD 4Å; V264-M268 HydrophobicContact CG1-SD 4.32Å; V264-M268 WeakPolarHBondContact O-CG 3.47Å; V264-M268 PolarHBondContact O-N 3.32Å; V264-M268 VanDerWaalsContact O-N 3.1Å; A265-M268 PolarHBondContact O-N 3.41Å; F266-M268 VanDerWaalsContact C-N 3.26Å; F266-M268 PolarHBondContact O-N 2.66Å; M268-L275 HydrophobicContact CB-CB 4.3Å; M268-L275 HydrophobicContact CE-CB 3.74Å; M268-L275 HydrophobicContact CE-CD1 4.01Å; M268-L275 PolarHBondContact O-N 3.22Å; M268-L276 HydrophobicContact CB-CB 4.17Å; M268-L276 HydrophobicContact CB-CD1 3.67Å; M268-L276 HydrophobicContact CB-CG 3.79Å; M268-L276 HydrophobicContact CE-CG 4.36Å; M268-L276 HydrophobicContact CG-CD1 4.48Å; M268-L276 PolarHBondContact O-N 3.37Å; M268-L276 VanDerWaalsContact O-N 3.1Å; M268-L276 HydrophobicContact SD-CD1 4.15Å; M268-L276 HydrophobicContact SD-CG 4.48Å; M268-L305 HydrophobicContact CE-CD2 4.46Å
269Q97.3Very high96.7Very high10 Ų1018.8 Ų18.85%0.04711%0.106CC..Hα-helixtrans-74.6-39.8171.8-70.6174.2-40.600112.3A265 F266 F267 P274 L276 P277 L326A265-Q269 WeakPolarHBondContact O-CG 3.49Å; A265-Q269 PolarHBondContact O-N 2.64Å; F266-Q269 WeakPolarHBondContact O-CA 3.25Å; F266-Q269 WeakPolarHBondContact O-CB 3.4Å; F266-Q269 PolarHBondContact O-N 3.21Å; F267-Q269 VanDerWaalsContact C-N 3.29Å; F267-Q269 PolarHBondContact O-N 2.78Å; Q269-P274 WeakPolarHBondContact O-CB 3.24Å; Q269-L276 HydrophobicContact CG-CB 3.87Å; Q269-P277 WeakPolarHBondContact CG-O 2.79Å; Q269-P277 PolarHBondContact NE2-O 2.97Å; Q269-L326 PolarHBondContact NE2-O 3.42Å; Q269-L326 VanDerWaalsContact NE2-O 3.17Å
270C95.2Very high96.5Very high34 Ų3422.3 Ų22.323%0.2313%0.125CC..Hα-helixtrans-85.7-4.8-177.7-720000114.6F266 F267 F312 G329F266-C270 HydrophobicContact CE1-CB 4.32Å; F266-C270 WeakPolarHBondContact CE1-SG 3.29Å; F266-C270 VanDerWaalsContact CE2-SG 3.57Å; F266-C270 WeakPolarHBondContact CZ-SG 3.34Å; F266-C270 PolarHBondContact O-N 2.91Å; F267-C270 PolarHBondContact O-N 2.81Å; C270-F312 HydrophobicContact CB-CE2 4.08Å; C270-F312 HydrophobicContact CB-CZ 4.03Å; C270-G329 PolarHBondContact SG-O 2.97Å
271R94.9Very high96.4Very high47 Ų4724.4 Ų24.418%0.17714%0.135CC..SBendtrans-57.3151.9172.6-68.4-162.659.723.52.9110.9F267 P273 P274 E308F267-R271 HydrophobicContact CD2-CG 4.24Å; F267-R271 HydrophobicContact CE1-CG 4.43Å; F267-R271 HydrophobicContact CE2-CG 3.86Å; F267-R271 HydrophobicContact CZ-CG 3.97Å; F267-R271 WeakPolarHBondContact O-CG 3.47Å; F267-R271 PolarHBondContact O-N 3.26Å; F267-R271 VanDerWaalsContact O-N 3.08Å; R271-P273 VanDerWaalsContact C-C 3.44Å; R271-P273 CarbonylContact C-O 3.37Å; R271-P273 WeakPolarHBondContact CB-O 3.18Å; R271-P273 CarbonylContact O-C 3.54Å; R271-P274 WeakPolarHBondContact O-CA 3.21Å; R271-P274 WeakPolarHBondContact O-CD 3.33Å; R271-E308 IonicContact CZ-OE1 3.06Å; R271-E308 IonicContact CZ-OE2 3.5Å; R271-E308 IonicContact NE-OE2 3.4Å; R271-E308 PolarHBondContact NE-OE2 2.96Å; R271-E308 VanDerWaalsContact NE-OE2 3.12Å; R271-E308 IonicContact NH1-OE1 3.85Å; R271-E308 IonicContact NH1-OE2 2.92Å; R271-E308 IonicContact NH2-OE1 2.87Å; R271-E308 PolarHBondContact NH2-OE1 3.04Å; R271-E308 IonicContact NH2-OE2 3.14Å; R271-E308 PolarHBondContact NH2-OE2 3.36Å
272N91.3Very high96.2Very high150 Ų15023.9 Ų23.980%0.80213%0.132SC*.SBendtrans-118.6107170.3-17315.5000110.3
273P92.9Very high95.9Very high45 Ų4527.4 Ų27.429%0.29215%0.151SC..SBendcis-73.7158.4-2.532.5-35.4000112.7R271 K297R271-P273 VanDerWaalsContact C-C 3.44Å; R271-P273 CarbonylContact C-O 3.37Å; R271-P273 WeakPolarHBondContact CB-O 3.18Å; R271-P273 CarbonylContact O-C 3.54Å; P273-K297 HydrophobicContact CG-CB 4.35Å; P273-K297 HydrophobicContact CG-CD 3.78Å; P273-K297 HydrophobicContact CG-CG 4.02Å
274P95.2Very high95.6Very high51 Ų5130.7 Ų30.733%0.33117%0.174SC..  trans-68.6136.5-179.826.9-35.5000111.4Q269 R271Q269-P274 WeakPolarHBondContact O-CB 3.24Å; R271-P274 WeakPolarHBondContact O-CA 3.21Å; R271-P274 WeakPolarHBondContact O-CD 3.33Å
275L96.9Very high94.8Very high4 Ų437.2 Ų37.22%0.02120%0.204CC..SBendtrans-94.5-15.9174.7-67.9-178.7000112.7Q227 M268 W292 L305Q227-L275 WeakPolarHBondContact CB-O 3.23Å; Q227-L275 HydrophobicContact CG-CB 4.35Å; Q227-L275 WeakPolarHBondContact CG-O 3.28Å; M268-L275 HydrophobicContact CB-CB 4.3Å; M268-L275 HydrophobicContact CE-CB 3.74Å; M268-L275 HydrophobicContact CE-CD1 4.01Å; M268-L275 PolarHBondContact O-N 3.22Å; L275-W292 WeakPolarHBondContact O-CH2 3.45Å; L275-W292 WeakPolarHBondContact O-CZ2 3.2Å; L275-L305 HydrophobicContact CD1-CD1 3.66Å; L275-L305 HydrophobicContact CD1-CD2 4.22Å
276L97Very high93.9Very high2 Ų239 Ų391%0.0122%0.217CC..SBendtrans-127.4148.8170.4-72.1178.2000111.1F223 Q227 I230 A265 M268 Q269 W292F223-L276 HydrophobicContact CB-CD1 4.19Å; F223-L276 HydrophobicContact CB-CD2 3.74Å; F223-L276 HydrophobicContact CD1-CD1 4.47Å; F223-L276 HydrophobicContact CD1-CD2 3.9Å; F223-L276 HydrophobicContact CD2-CD1 3.79Å; F223-L276 HydrophobicContact CE2-CD1 4.23Å; F223-L276 HydrophobicContact CG-CD1 3.94Å; F223-L276 HydrophobicContact CG-CD2 3.84Å; F223-L276 HydrophobicContact CG-CG 4.43Å; Q227-L276 HydrophobicContact CB-CD2 3.65Å; Q227-L276 HydrophobicContact CG-CD2 4.48Å; I230-L276 HydrophobicContact CD1-CD1 3.67Å; A265-L276 HydrophobicContact CB-CD1 4.44Å; M268-L276 HydrophobicContact CB-CB 4.17Å; M268-L276 HydrophobicContact CB-CD1 3.67Å; M268-L276 HydrophobicContact CB-CG 3.79Å; M268-L276 HydrophobicContact CE-CG 4.36Å; M268-L276 HydrophobicContact CG-CD1 4.48Å; M268-L276 PolarHBondContact O-N 3.37Å; M268-L276 VanDerWaalsContact O-N 3.1Å; M268-L276 HydrophobicContact SD-CD1 4.15Å; M268-L276 HydrophobicContact SD-CG 4.48Å; Q269-L276 HydrophobicContact CG-CB 3.87Å; L276-W292 VanDerWaalsContact CA-CZ2 3.47Å
277P95.8Very high93.3Very high3 Ų343.9 Ų43.92%0.01925%0.251CS..  trans-78.1164.1171.733.6-30.3000110.6F223 L226 Q269 M281 V282 L289 W292F223-P277 HydrophobicContact CE1-CG 4.11Å; F223-P277 WeakPolarHBondContact CE1-O 3.43Å; L226-P277 HydrophobicContact CD1-CG 3.89Å; Q269-P277 WeakPolarHBondContact CG-O 2.79Å; Q269-P277 PolarHBondContact NE2-O 2.97Å; P277-M281 HydrophobicContact CB-CB 4.34Å; P277-M281 HydrophobicContact CB-CG 4.37Å; P277-M281 HydrophobicContact CB-SD 3.84Å; P277-V282 HydrophobicContact CB-CG2 4.35Å; P277-V282 HydrophobicContact CG-CG2 3.57Å; P277-L289 HydrophobicContact CB-CD1 4.21Å; P277-L289 HydrophobicContact CG-CD1 3.97Å; P277-W292 HydrophobicContact CB-CD2 3.82Å; P277-W292 HydrophobicContact CB-CE3 4.13Å; P277-W292 HydrophobicContact CB-CG 4.17Å; P277-W292 HydrophobicContact CB-CZ2 4.38Å; P277-W292 VanDerWaalsContact CD-CH2 3.45Å; P277-W292 HydrophobicContact CG-CD2 4.24Å; P277-W292 HydrophobicContact CG-CE3 4.08Å; P277-W292 HydrophobicContact CG-CH2 4.25Å; P277-W292 HydrophobicContact CG-CZ2 4.37Å; P277-W292 HydrophobicContact CG-CZ3 4.09Å
278S95.6Very high92.8Very high23 Ų2345.7 Ų45.716%0.16127%0.266CS..  trans-63154.8170.184.30000111.2D280 M281 V282 S327 T328S278-D280 VanDerWaalsContact C-N 3.29Å; S278-D280 PolarHBondContact O-N 3Å; S278-M281 PolarHBondContact O-N 3.08Å; S278-M281 WeakPolarHBondContact OG-CB 3.48Å; S278-M281 PolarHBondContact OG-N 3.26Å; S278-V282 PolarHBondContact O-N 3.5Å; S278-S327 WeakPolarHBondContact CB-O 3.45Å; S278-S327 PolarHBondContact OG-O 2.97Å; S278-T328 VanDerWaalsContact CB-C 3.47Å; S278-T328 VanDerWaalsContact CB-O 3.24Å; S278-T328 WeakPolarHBondContact CB-O 3.37Å
279I95.9Very high92.5Very high3 Ų346.5 Ų46.52%0.01527%0.27CS..Hα-helixtrans-65.9-36.3178.5-67.7-178.3000110.8V219 F223 M281 V282 L283 L326 S327 P345 M346V219-I279 HydrophobicContact CG1-CB 4.39Å; V219-I279 HydrophobicContact CG1-CD1 3.89Å; V219-I279 HydrophobicContact CG1-CG1 3.69Å; V219-I279 HydrophobicContact CG1-CG2 4.09Å; V219-I279 HydrophobicContact CG2-CG2 4.1Å; F223-I279 HydrophobicContact CE2-CG1 4.3Å; F223-I279 HydrophobicContact CZ-CG1 3.75Å; I279-M281 VanDerWaalsContact C-N 3.26Å; I279-M281 PolarHBondContact O-N 3.5Å; I279-V282 WeakPolarHBondContact O-CB 3.4Å; I279-V282 PolarHBondContact O-N 3.22Å; I279-L283 HydrophobicContact CG2-CD1 3.6Å; I279-L283 HydrophobicContact CG2-CG 3.83Å; I279-L283 WeakPolarHBondContact O-CB 3.46Å; I279-L283 WeakPolarHBondContact O-CG 3.45Å; I279-L283 PolarHBondContact O-N 3.41Å; I279-L326 WeakPolarHBondContact CB-O 3.38Å; I279-L326 HydrophobicContact CD1-CB 3.71Å; I279-L326 HydrophobicContact CG1-CB 4.47Å; I279-L326 VanDerWaalsContact CG1-O 3.27Å; I279-L326 WeakPolarHBondContact CG1-O 3.49Å; I279-L326 PolarHBondContact N-O 3.34Å; I279-L326 VanDerWaalsContact N-O 3.15Å; I279-S327 PolarHBondContact N-O 3.18Å; I279-P345 HydrophobicContact CD1-CB 4.05Å; I279-P345 HydrophobicContact CD1-CG 3.67Å; I279-P345 HydrophobicContact CG2-CB 4.13Å; I279-M346 HydrophobicContact CG2-CE 4.39Å
280D94.9Very high92.1Very high78 Ų7850 Ų5042%0.41729%0.289SS..Hα-helixtrans-59.9-38.3175.9-69-19.6000112.1S278 V282 S284 S327S278-D280 VanDerWaalsContact C-N 3.29Å; S278-D280 PolarHBondContact O-N 3Å; D280-V282 VanDerWaalsContact C-N 3.34Å; D280-V282 PolarHBondContact O-N 3.11Å; D280-S284 WeakPolarHBondContact O-CB 3.46Å; D280-S284 PolarHBondContact O-N 3.4Å; D280-S284 PolarHBondContact O-OG 3.3Å; D280-S327 WeakPolarHBondContact CB-O 3.23Å; D280-S327 VanDerWaalsContact CG-O 3.27Å; D280-S327 PolarHBondContact N-O 3.26Å
281M94.3Very high91.9Very high47 Ų4755.8 Ų55.823%0.23231%0.311CS..Hα-helixtrans-65.5-38.8175.6-174.1177.5-63.300111.7P277 S278 I279 S284 A288 L289 W292P277-M281 HydrophobicContact CB-CB 4.34Å; P277-M281 HydrophobicContact CB-CG 4.37Å; P277-M281 HydrophobicContact CB-SD 3.84Å; S278-M281 PolarHBondContact O-N 3.08Å; S278-M281 WeakPolarHBondContact OG-CB 3.48Å; S278-M281 PolarHBondContact OG-N 3.26Å; I279-M281 VanDerWaalsContact C-N 3.26Å; I279-M281 PolarHBondContact O-N 3.5Å; M281-S284 PolarHBondContact O-OG 3.06Å; M281-S284 VanDerWaalsContact O-OG 3.11Å; M281-A288 HydrophobicContact CE-CB 4.15Å; M281-A288 HydrophobicContact CG-CB 4.33Å; M281-A288 HydrophobicContact SD-CB 4.38Å; M281-L289 HydrophobicContact CG-CB 4.03Å; M281-L289 HydrophobicContact CG-CD1 4.29Å; M281-W292 HydrophobicContact SD-CB 3.7Å; M281-W292 HydrophobicContact SD-CG 4.09Å
282V94.5Very high91.8Very high1 Ų154.6 Ų54.61%0.00631%0.306CS..Hα-helixtrans-68.5-48.2176.8174.60000111.4M222 F223 L226 P277 S278 I279 D280 Q285 L289M222-V282 HydrophobicContact CB-CG1 4.1Å; M222-V282 HydrophobicContact CE-CG1 3.54Å; M222-V282 HydrophobicContact CG-CG1 4.38Å; M222-V282 HydrophobicContact SD-CG1 3.4Å; M222-V282 WeakPolarHBondContact SD-CG1 3.37Å; F223-V282 HydrophobicContact CD1-CG2 4.32Å; F223-V282 HydrophobicContact CE1-CG2 3.76Å; L226-V282 HydrophobicContact CD1-CG2 4.43Å; P277-V282 HydrophobicContact CB-CG2 4.35Å; P277-V282 HydrophobicContact CG-CG2 3.57Å; S278-V282 PolarHBondContact O-N 3.5Å; I279-V282 WeakPolarHBondContact O-CB 3.4Å; I279-V282 PolarHBondContact O-N 3.22Å; D280-V282 VanDerWaalsContact C-N 3.34Å; D280-V282 PolarHBondContact O-N 3.11Å; V282-Q285 WeakPolarHBondContact O-CG 3.39Å; V282-Q285 PolarHBondContact O-N 3.49Å; V282-L289 HydrophobicContact CG2-CD1 4.41Å
283L92.4Very high91.7Very high74 Ų7452.8 Ų52.839%0.38729%0.293SS..Hα-helixtrans-68-37.3-177.2-69.7-179.9000112.2V219 I279 Q285 M346V219-L283 HydrophobicContact CG2-CD2 3.63Å; V219-L283 HydrophobicContact CG2-CG 4.19Å; I279-L283 HydrophobicContact CG2-CD1 3.6Å; I279-L283 HydrophobicContact CG2-CG 3.83Å; I279-L283 WeakPolarHBondContact O-CB 3.46Å; I279-L283 WeakPolarHBondContact O-CG 3.45Å; I279-L283 PolarHBondContact O-N 3.41Å; L283-Q285 PolarHBondContact O-N 3.5Å; L283-M346 HydrophobicContact CD1-CE 4.19Å; L283-M346 HydrophobicContact CD2-CE 4.49Å
284S91.2Very high91.6Very high69 Ų6960.2 Ų60.248%0.48332%0.315SS..THydrogen-bonded Turntrans-68.2-17.2176.661.20000113.8D280 M281 S286D280-S284 WeakPolarHBondContact O-CB 3.46Å; D280-S284 PolarHBondContact O-N 3.4Å; D280-S284 PolarHBondContact O-OG 3.3Å; M281-S284 PolarHBondContact O-OG 3.06Å; M281-S284 VanDerWaalsContact O-OG 3.11Å; S284-S286 PolarHBondContact O-N 2.82Å; S284-S286 PolarHBondContact OG-OG 3.19Å; S284-S286 VanDerWaalsContact OG-OG 3.12Å
285Q82Confident91.2Very high138 Ų13861.6 Ų61.665%0.64533%0.326SS*.THydrogen-bonded Turntrans44.536.1-173.9-66.5-175.758.200112.9V282 L283V282-Q285 WeakPolarHBondContact O-CG 3.39Å; V282-Q285 PolarHBondContact O-N 3.49Å; L283-Q285 PolarHBondContact O-N 3.5Å
286S79.6Confident90.7Very high37 Ų3763.4 Ų63.426%0.25934%0.337SS..  trans-79167.2-170.258.70000112.2S284 A288 L289S284-S286 PolarHBondContact O-N 2.82Å; S284-S286 PolarHBondContact OG-OG 3.19Å; S284-S286 VanDerWaalsContact OG-OG 3.12Å; S286-A288 PolarHBondContact O-N 3.32Å; S286-A288 VanDerWaalsContact O-N 3.08Å; S286-A288 WeakPolarHBondContact OG-CB 3.4Å; S286-L289 WeakPolarHBondContact O-CB 3.49Å; S286-L289 PolarHBondContact O-N 3.01Å
287S86.6Confident90.1Very high103 Ų10369.8 Ų69.872%0.7237%0.365SS*.Hα-helixtrans-55.9-23.5169.857.70000112.8N290 K291S287-N290 PolarHBondContact O-N 3.27Å; S287-K291 PolarHBondContact O-N 3.45Å
288A88.1Confident89.7Confident41 Ų4175.5 Ų75.534%0.33940%0.403SS..Hα-helixtrans-62.7-38174.200000112.4M281 S286 N290 K291 W292M281-A288 HydrophobicContact CE-CB 4.15Å; M281-A288 HydrophobicContact CG-CB 4.33Å; M281-A288 HydrophobicContact SD-CB 4.38Å; S286-A288 PolarHBondContact O-N 3.32Å; S286-A288 VanDerWaalsContact O-N 3.08Å; S286-A288 WeakPolarHBondContact OG-CB 3.4Å; A288-N290 PolarHBondContact O-N 3.26Å; A288-K291 PolarHBondContact O-N 3.15Å; A288-W292 WeakPolarHBondContact O-CB 3.15Å; A288-W292 PolarHBondContact O-N 3.38Å
289L91Very high89.6Confident16 Ų1675.5 Ų75.58%0.08440%0.403CS..Hα-helixtrans-63.2-43.9176-177.862.3000111.2L226 P277 M281 V282 S286 K291 W292 Q293L226-L289 HydrophobicContact CD1-CD1 4.12Å; P277-L289 HydrophobicContact CB-CD1 4.21Å; P277-L289 HydrophobicContact CG-CD1 3.97Å; M281-L289 HydrophobicContact CG-CB 4.03Å; M281-L289 HydrophobicContact CG-CD1 4.29Å; V282-L289 HydrophobicContact CG2-CD1 4.41Å; S286-L289 WeakPolarHBondContact O-CB 3.49Å; S286-L289 PolarHBondContact O-N 3.01Å; L289-K291 VanDerWaalsContact C-N 3.3Å; L289-K291 PolarHBondContact O-N 3.4Å; L289-W292 HydrophobicContact CD1-CE3 4.37Å; L289-W292 PolarHBondContact O-N 3.18Å; L289-Q293 WeakPolarHBondContact O-CB 3.35Å; L289-Q293 PolarHBondContact O-N 3.24Å
290N89.7Confident89.6Confident83 Ų8376.9 Ų76.944%0.44441%0.413SS..Hα-helixtrans-64.2-35.4176.1-69.3-34.4000112S287 A288 R294S287-N290 PolarHBondContact O-N 3.27Å; A288-N290 PolarHBondContact O-N 3.26Å; N290-R294 VanDerWaalsContact C-NH1 3.3Å; N290-R294 WeakPolarHBondContact O-CG 3.37Å; N290-R294 PolarHBondContact O-N 3.46Å; N290-R294 PolarHBondContact O-NH1 3.44Å
291K90.8Very high89.6Confident157 Ų15778.5 Ų78.568%0.68342%0.417SS*.Hα-helixtrans-69.2-45.3174.8-174.4179.8178.1-177.80110.9S287 A288 L289 Q293 R294 S295S287-K291 PolarHBondContact O-N 3.45Å; A288-K291 PolarHBondContact O-N 3.15Å; L289-K291 VanDerWaalsContact C-N 3.3Å; L289-K291 PolarHBondContact O-N 3.4Å; K291-Q293 PolarHBondContact O-N 3.3Å; K291-R294 PolarHBondContact O-N 2.97Å; K291-S295 PolarHBondContact O-N 3.02Å; K291-S295 PolarHBondContact O-OG 2.92Å
292W92Very high89.7Confident22 Ų2277.9 Ų77.98%0.08342%0.417CS..Hα-helixtrans-56.1-52.1175.9178.387.8000110.4L226 L275 L276 P277 M281 A288 L289 R294 S295 V296L226-W292 HydrophobicContact CB-CH2 4.42Å; L226-W292 HydrophobicContact CB-CZ3 4.05Å; L226-W292 HydrophobicContact CD1-CZ3 4.34Å; L226-W292 HydrophobicContact CD2-CZ3 4.24Å; L226-W292 HydrophobicContact CG-CZ3 4.45Å; L275-W292 WeakPolarHBondContact O-CH2 3.45Å; L275-W292 WeakPolarHBondContact O-CZ2 3.2Å; L276-W292 VanDerWaalsContact CA-CZ2 3.47Å; P277-W292 HydrophobicContact CB-CD2 3.82Å; P277-W292 HydrophobicContact CB-CE3 4.13Å; P277-W292 HydrophobicContact CB-CG 4.17Å; P277-W292 HydrophobicContact CB-CZ2 4.38Å; P277-W292 VanDerWaalsContact CD-CH2 3.45Å; P277-W292 HydrophobicContact CG-CD2 4.24Å; P277-W292 HydrophobicContact CG-CE3 4.08Å; P277-W292 HydrophobicContact CG-CH2 4.25Å; P277-W292 HydrophobicContact CG-CZ2 4.37Å; P277-W292 HydrophobicContact CG-CZ3 4.09Å; M281-W292 HydrophobicContact SD-CB 3.7Å; M281-W292 HydrophobicContact SD-CG 4.09Å; A288-W292 WeakPolarHBondContact O-CB 3.15Å; A288-W292 PolarHBondContact O-N 3.38Å; L289-W292 HydrophobicContact CD1-CE3 4.37Å; L289-W292 PolarHBondContact O-N 3.18Å; W292-R294 PolarHBondContact O-N 3.39Å; W292-R294 VanDerWaalsContact O-N 3.13Å; W292-S295 WeakPolarHBondContact CA-OG 3.48Å; W292-S295 CarbonylContact O-C 3.59Å; W292-S295 WeakPolarHBondContact O-CA 3.3Å; W292-S295 PolarHBondContact O-N 3.32Å; W292-S295 PolarHBondContact O-OG 3.49Å; W292-V296 HydrophobicContact CD2-CG2 3.66Å; W292-V296 HydrophobicContact CE3-CG2 3.62Å; W292-V296 HydrophobicContact CH2-CG2 3.26Å; W292-V296 HydrophobicContact CZ2-CG2 3.32Å; W292-V296 HydrophobicContact CZ3-CG2 3.42Å; W292-V296 VanDerWaalsContact CZ3-CG2 3.42Å; W292-V296 WeakPolarHBondContact O-CG2 3.39Å; W292-V296 PolarHBondContact O-N 3.33Å; W292-V296 VanDerWaalsContact O-N 3.09Å
293Q90.4Very high89.7Confident112 Ų11279.6 Ų79.652%0.52342%0.423SS..Hα-helixtrans-56.7-33.8-178.5-173.6177.8-12.400113.3L289 K291 S295L289-Q293 WeakPolarHBondContact O-CB 3.35Å; L289-Q293 PolarHBondContact O-N 3.24Å; K291-Q293 PolarHBondContact O-N 3.3Å; Q293-S295 VanDerWaalsContact C-N 3.32Å
294R89Confident89.9Confident201 Ų20181 Ų8176%0.75843%0.428SS*.Hα-helixtrans-75.2-20.5175-68.1179.8-172.397.5-6.3113.7N290 K291 W292N290-R294 VanDerWaalsContact C-NH1 3.3Å; N290-R294 WeakPolarHBondContact O-CG 3.37Å; N290-R294 PolarHBondContact O-N 3.46Å; N290-R294 PolarHBondContact O-NH1 3.44Å; K291-R294 PolarHBondContact O-N 2.97Å; W292-R294 PolarHBondContact O-N 3.39Å; W292-R294 VanDerWaalsContact O-N 3.13Å
295S88.6Confident90.2Very high79 Ų7977.8 Ų77.855%0.55241%0.405SS*.Hα-helixtrans-98.5-9.9-177.670.50000114.3K291 W292 Q293 K297K291-S295 PolarHBondContact O-N 3.02Å; K291-S295 PolarHBondContact O-OG 2.92Å; W292-S295 WeakPolarHBondContact CA-OG 3.48Å; W292-S295 CarbonylContact O-C 3.59Å; W292-S295 WeakPolarHBondContact O-CA 3.3Å; W292-S295 PolarHBondContact O-N 3.32Å; W292-S295 PolarHBondContact O-OG 3.49Å; Q293-S295 VanDerWaalsContact C-N 3.32Å; S295-K297 PolarHBondContact O-N 2.96Å
296V86.2Confident91Very high42 Ų4271.2 Ų71.226%0.25538%0.375SS..PPolyproline II helixtrans-60.8124.6-178.9173.90000110.1W292W292-V296 HydrophobicContact CD2-CG2 3.66Å; W292-V296 HydrophobicContact CE3-CG2 3.62Å; W292-V296 HydrophobicContact CH2-CG2 3.26Å; W292-V296 HydrophobicContact CZ2-CG2 3.32Å; W292-V296 HydrophobicContact CZ3-CG2 3.42Å; W292-V296 VanDerWaalsContact CZ3-CG2 3.42Å; W292-V296 WeakPolarHBondContact O-CG2 3.39Å; W292-V296 PolarHBondContact O-N 3.33Å; W292-V296 VanDerWaalsContact O-N 3.09Å
297K83.3Confident91.9Very high137 Ų13770.1 Ų70.160%0.59637%0.366SS*.PPolyproline II helixtrans-78.6162.5172.4-61.7-161.7-169.3172.90110.9P273 S295 S299P273-K297 HydrophobicContact CG-CB 4.35Å; P273-K297 HydrophobicContact CG-CD 3.78Å; P273-K297 HydrophobicContact CG-CG 4.02Å; S295-K297 PolarHBondContact O-N 2.96Å; K297-S299 PolarHBondContact O-N 3.39Å
298C88.5Confident92.4Very high122 Ų12267.1 Ų67.182%0.82434%0.34SS*.PPolyproline II helixtrans-57137.6169.8-163.40000109.9
299S93.2Very high92.9Very high24 Ų2465.1 Ų65.117%0.16832%0.324CS..PPolyproline II helixtrans-64.4140.7173.5-178.40000109.2S229 K297S229-S299 VanDerWaalsContact CB-OG 3.28Å; S229-S299 WeakPolarHBondContact CB-OG 3.47Å; S229-S299 WeakPolarHBondContact OG-CB 3.44Å; S229-S299 PolarHBondContact OG-OG 3.19Å; K297-S299 PolarHBondContact O-N 3.39Å
300P94.5Very high93.3Very high32 Ų3264.4 Ų64.421%0.20832%0.32CS..PPolyproline II helixtrans-55.3163.9165.8-21.132.2000111.5E304 L305P300-E304 HydrophobicContact CB-CB 4.26Å; P300-E304 HydrophobicContact CB-CG 4.2Å; P300-L305 HydrophobicContact CG-CD1 4.49Å
301E95.1Very high93.7Very high111 Ų11165.4 Ų65.452%0.51932%0.318SS..PPolyproline II helixtrans-55.6143.2173.7-77.6-6412900110.6N82 R303 E304 L305N82-E301 VanDerWaalsContact CG-OE2 3.32Å; N82-E301 PolarHBondContact ND2-OE2 2.95Å; E301-R303 VanDerWaalsContact C-N 3.26Å; E301-R303 PolarHBondContact O-N 2.88Å; E301-R303 VanDerWaalsContact O-N 3.11Å; E301-E304 WeakPolarHBondContact O-CB 3.27Å; E301-E304 PolarHBondContact O-N 3.48Å; E301-L305 PolarHBondContact O-N 3.47Å
302P96.3Very high94Very high34 Ų3458.4 Ų58.422%0.22129%0.287CS..Hα-helixtrans-54.3-37.3-172.7-28.334.7000114.7I85 L306I85-P302 HydrophobicContact CB-CB 4.29Å; I85-P302 HydrophobicContact CD1-CB 3.76Å; I85-P302 HydrophobicContact CG2-CB 3.75Å; I85-P302 HydrophobicContact CG2-CG 4.49Å; P302-L306 VanDerWaalsContact O-CB 3.31Å; P302-L306 WeakPolarHBondContact O-CB 3.4Å; P302-L306 PolarHBondContact O-N 2.96Å
303R96.2Very high94.4Very high37 Ų3757.3 Ų57.314%0.1428%0.283CS..Hα-helixtrans-64.1-45174.7172.4176.7167.5-106-6.8112.4V81 N82 I85 E301 L306 I307 L375 N379V81-R303 HydrophobicContact CB-CB 4.44Å; V81-R303 HydrophobicContact CB-CG 4.44Å; V81-R303 HydrophobicContact CG1-CB 4.15Å; V81-R303 HydrophobicContact CG1-CG 4.15Å; N82-R303 WeakPolarHBondContact OD1-CB 3.5Å; N82-R303 PolarHBondContact OD1-N 3.5Å; I85-R303 HydrophobicContact CD1-CB 4.32Å; E301-R303 VanDerWaalsContact C-N 3.26Å; E301-R303 PolarHBondContact O-N 2.88Å; E301-R303 VanDerWaalsContact O-N 3.11Å; R303-L306 WeakPolarHBondContact O-CB 3.2Å; R303-L306 PolarHBondContact O-N 2.71Å; R303-I307 HydrophobicContact CG-CD1 4.26Å; R303-I307 WeakPolarHBondContact O-CG1 3.31Å; R303-I307 PolarHBondContact O-N 3.39Å; R303-L375 PolarHBondContact NE-O 3.15Å; R303-L375 VanDerWaalsContact NE-O 3.11Å; R303-L375 PolarHBondContact NH2-O 2.74Å; R303-N379 PolarHBondContact NH1-O 2.94Å; R303-N379 PolarHBondContact NH1-OD1 3.05Å; R303-N379 PolarHBondContact NH2-OD1 3.05Å
304E96.2Very high94.7Very high104 Ų10453.6 Ų53.649%0.48627%0.268SS..Hα-helixtrans-63.4-46.5179.3-178.5175.4-163.300110P300 E301 L306 I307 E308P300-E304 HydrophobicContact CB-CB 4.26Å; P300-E304 HydrophobicContact CB-CG 4.2Å; E301-E304 WeakPolarHBondContact O-CB 3.27Å; E301-E304 PolarHBondContact O-N 3.48Å; E304-L306 VanDerWaalsContact C-N 3.26Å; E304-L306 PolarHBondContact O-N 3.36Å; E304-I307 PolarHBondContact O-N 2.93Å; E304-I307 VanDerWaalsContact O-N 3.12Å; E304-E308 WeakPolarHBondContact O-CG 3.42Å; E304-E308 PolarHBondContact O-N 3.31Å
305L97.4Very high95.1Very high1 Ų148.3 Ų48.31%0.00526%0.262CS..Hα-helixtrans-61.5-34.3177.5-169.465.7000112.5L233 F267 M268 L275 P300 E301 F309L233-L305 HydrophobicContact CB-CD2 4.42Å; L233-L305 HydrophobicContact CD1-CG 4.31Å; L233-L305 HydrophobicContact CD2-CD2 3.81Å; L233-L305 HydrophobicContact CD2-CG 3.9Å; F267-L305 HydrophobicContact CE1-CD1 3.66Å; F267-L305 HydrophobicContact CE1-CG 4.06Å; F267-L305 HydrophobicContact CZ-CD1 3.81Å; F267-L305 HydrophobicContact CZ-CG 4.5Å; M268-L305 HydrophobicContact CE-CD2 4.46Å; L275-L305 HydrophobicContact CD1-CD1 3.66Å; L275-L305 HydrophobicContact CD1-CD2 4.22Å; P300-L305 HydrophobicContact CG-CD1 4.49Å; E301-L305 PolarHBondContact O-N 3.47Å; L305-F309 WeakPolarHBondContact O-CB 3.43Å; L305-F309 PolarHBondContact O-N 3.41Å
306L98.1Very high95.5Very high1 Ų150.7 Ų50.71%0.00526%0.264CS..Hα-helixtrans-66.8-42.3174.4-178.563.4000112.3I85 L233 V236 I237 P302 R303 E304 F309 F310 L375 L394I85-L306 HydrophobicContact CD1-CD2 4.47Å; L233-L306 HydrophobicContact CD1-CB 4.05Å; L233-L306 HydrophobicContact CD1-CD1 3.99Å; V236-L306 HydrophobicContact CG1-CD1 4.41Å; V236-L306 HydrophobicContact CG1-CD2 3.74Å; I237-L306 HydrophobicContact CD1-CD1 4.02Å; I237-L306 HydrophobicContact CG1-CD1 3.48Å; I237-L306 VanDerWaalsContact CG1-CD1 3.48Å; P302-L306 VanDerWaalsContact O-CB 3.31Å; P302-L306 WeakPolarHBondContact O-CB 3.4Å; P302-L306 PolarHBondContact O-N 2.96Å; R303-L306 WeakPolarHBondContact O-CB 3.2Å; R303-L306 PolarHBondContact O-N 2.71Å; E304-L306 VanDerWaalsContact C-N 3.26Å; E304-L306 PolarHBondContact O-N 3.36Å; L306-F309 WeakPolarHBondContact O-CB 3.17Å; L306-F309 PolarHBondContact O-N 3.44Å; L306-F310 HydrophobicContact CD1-CD2 4.41Å; L306-F310 HydrophobicContact CD1-CE2 3.63Å; L306-F310 HydrophobicContact CD1-CZ 3.69Å; L306-F310 HydrophobicContact CD2-CE2 4.35Å; L306-F310 HydrophobicContact CG-CD2 4.29Å; L306-F310 HydrophobicContact CG-CE2 3.67Å; L306-F310 HydrophobicContact CG-CZ 4.25Å; L306-F310 VanDerWaalsContact O-CD2 3.23Å; L306-F310 WeakPolarHBondContact O-CD2 3.46Å; L306-F310 PolarHBondContact O-N 3.3Å; L306-L375 HydrophobicContact CB-CD1 4.47Å; L306-L375 HydrophobicContact CD2-CD1 3.66Å; L306-L375 HydrophobicContact CD2-CD2 4.11Å; L306-L375 HydrophobicContact CG-CD1 3.76Å; L306-L394 HydrophobicContact CD2-CD2 4.03Å
307I98Very high96.1Very high13 Ų1349.2 Ų49.27%0.06726%0.256CS..Hα-helixtrans-65-44.4174.8-65.5168.8000110.3R303 E304 F309 F310 R311 I372 L375 E376R303-I307 HydrophobicContact CG-CD1 4.26Å; R303-I307 WeakPolarHBondContact O-CG1 3.31Å; R303-I307 PolarHBondContact O-N 3.39Å; E304-I307 PolarHBondContact O-N 2.93Å; E304-I307 VanDerWaalsContact O-N 3.12Å; I307-F309 VanDerWaalsContact C-N 3.3Å; I307-F309 PolarHBondContact O-N 2.84Å; I307-F310 PolarHBondContact O-N 2.64Å; I307-R311 HydrophobicContact CG2-CG 4.33Å; I307-R311 WeakPolarHBondContact O-CG 3.38Å; I307-R311 PolarHBondContact O-N 3Å; I307-I372 HydrophobicContact CG2-CG2 4.38Å; I307-L375 HydrophobicContact CD1-CB 3.9Å; I307-L375 HydrophobicContact CG1-CB 3.7Å; I307-L375 HydrophobicContact CG1-CD1 3.82Å; I307-L375 HydrophobicContact CG1-CG 4.39Å; I307-E376 HydrophobicContact CD1-CG 4.48Å
308E98Very high96.7Very high40 Ų4046 Ų4619%0.18725%0.245CC..Hα-helixtrans-59.6-40.3176.6-71.8-180150.700112.2F267 R271 E304 R311 F312F267-E308 HydrophobicContact CE2-CB 3.99Å; F267-E308 WeakPolarHBondContact CE2-O 3.46Å; F267-E308 HydrophobicContact CZ-CB 3.66Å; R271-E308 IonicContact CZ-OE1 3.06Å; R271-E308 IonicContact CZ-OE2 3.5Å; R271-E308 IonicContact NE-OE2 3.4Å; R271-E308 PolarHBondContact NE-OE2 2.96Å; R271-E308 VanDerWaalsContact NE-OE2 3.12Å; R271-E308 IonicContact NH1-OE1 3.85Å; R271-E308 IonicContact NH1-OE2 2.92Å; R271-E308 IonicContact NH2-OE1 2.87Å; R271-E308 PolarHBondContact NH2-OE1 3.04Å; R271-E308 IonicContact NH2-OE2 3.14Å; R271-E308 PolarHBondContact NH2-OE2 3.36Å; E304-E308 WeakPolarHBondContact O-CG 3.42Å; E304-E308 PolarHBondContact O-N 3.31Å; E308-R311 PolarHBondContact O-N 3.46Å; E308-F312 WeakPolarHBondContact O-CB 3.24Å; E308-F312 PolarHBondContact O-N 3.14Å
309F98.6Very high97.2Very high0 Ų042.1 Ų42.10%021%0.213CC..Hα-helixtrans-57.9-51.6174.9166.7-93000111L233 I237 L263 V264 F267 L305 L306 I307 F312 F313 M368L233-F309 HydrophobicContact CD1-CB 4.44Å; I237-F309 HydrophobicContact CD1-CB 4.41Å; I237-F309 HydrophobicContact CD1-CD1 3.44Å; I237-F309 VanDerWaalsContact CD1-CD1 3.44Å; I237-F309 HydrophobicContact CD1-CD2 3.9Å; I237-F309 HydrophobicContact CD1-CE1 3.58Å; I237-F309 HydrophobicContact CD1-CE2 3.98Å; I237-F309 HydrophobicContact CD1-CG 3.64Å; I237-F309 HydrophobicContact CD1-CZ 3.85Å; I237-F309 HydrophobicContact CG1-CD1 4.09Å; I237-F309 HydrophobicContact CG1-CE1 4.06Å; I237-F309 HydrophobicContact CG2-CE1 4.06Å; I237-F309 HydrophobicContact CG2-CZ 4.15Å; L263-F309 HydrophobicContact CB-CE2 4.29Å; L263-F309 HydrophobicContact CB-CZ 4.47Å; V264-F309 HydrophobicContact CB-CE2 4.43Å; V264-F309 HydrophobicContact CG2-CD2 4.25Å; V264-F309 HydrophobicContact CG2-CE2 3.71Å; V264-F309 HydrophobicContact CG2-CZ 4.2Å; F267-F309 HydrophobicContact CB-CD2 3.89Å; F267-F309 HydrophobicContact CB-CE2 4.46Å; F267-F309 HydrophobicContact CD1-CB 3.87Å; F267-F309 AromaticContact CD1-CD2 3.8Å; F267-F309 HydrophobicContact CD1-CD2 3.8Å; F267-F309 HydrophobicContact CD1-CG 4.34Å; F267-F309 HydrophobicContact CD2-CB 4.48Å; F267-F309 HydrophobicContact CE1-CB 3.73Å; F267-F309 HydrophobicContact CE2-CB 4.37Å; F267-F309 HydrophobicContact CG-CB 4.23Å; F267-F309 AromaticContact CG-CD2 3.86Å; F267-F309 HydrophobicContact CG-CD2 3.86Å; F267-F309 HydrophobicContact CZ-CB 4Å; F267-F309 VanDerWaalsContact CZ-N 3.32Å; L305-F309 WeakPolarHBondContact O-CB 3.43Å; L305-F309 PolarHBondContact O-N 3.41Å; L306-F309 WeakPolarHBondContact O-CB 3.17Å; L306-F309 PolarHBondContact O-N 3.44Å; I307-F309 VanDerWaalsContact C-N 3.3Å; I307-F309 PolarHBondContact O-N 2.84Å; F309-F312 WeakPolarHBondContact O-CB 3.39Å; F309-F312 PolarHBondContact O-N 3.48Å; F309-F313 HydrophobicContact CD2-CD2 4.11Å; F309-F313 AromaticContact CD2-CE2 3.8Å; F309-F313 HydrophobicContact CD2-CE2 3.8Å; F309-F313 HydrophobicContact CE1-CD2 4.47Å; F309-F313 AromaticContact CE2-CD2 3.77Å; F309-F313 HydrophobicContact CE2-CD2 3.77Å; F309-F313 AromaticContact CE2-CE2 3.34Å; F309-F313 HydrophobicContact CE2-CE2 3.34Å; F309-F313 HydrophobicContact CE2-CZ 4.42Å; F309-F313 AromaticContact CZ-CD2 3.95Å; F309-F313 HydrophobicContact CZ-CD2 3.95Å; F309-F313 AromaticContact CZ-CE2 3.9Å; F309-F313 HydrophobicContact CZ-CE2 3.9Å; F309-F313 WeakPolarHBondContact O-CD2 3.47Å; F309-F313 PolarHBondContact O-N 2.84Å; F309-M368 HydrophobicContact CE1-CE 4.3Å; F309-M368 HydrophobicContact CZ-CE 4.46Å
310F98.7Very high97.3Very high0 Ų048.4 Ų48.40%024%0.24CC..Hα-helixtrans-62.6-46.2179.7-65.4-43.3000111.6W240 L306 I307 F312 F313 T314 M368 A371 I372 L375 L394W240-F310 HydrophobicContact CD2-CE1 4.24Å; W240-F310 HydrophobicContact CD2-CZ 4.03Å; W240-F310 AromaticContact CE3-CE1 3.83Å; W240-F310 HydrophobicContact CE3-CE1 3.83Å; W240-F310 HydrophobicContact CE3-CZ 4.02Å; W240-F310 HydrophobicContact CH2-CD1 4.43Å; W240-F310 AromaticContact CH2-CE1 3.74Å; W240-F310 HydrophobicContact CH2-CE1 3.74Å; W240-F310 HydrophobicContact CH2-CZ 4.39Å; W240-F310 HydrophobicContact CZ2-CE1 4.14Å; W240-F310 HydrophobicContact CZ2-CZ 4.39Å; W240-F310 AromaticContact CZ3-CE1 3.58Å; W240-F310 HydrophobicContact CZ3-CE1 3.58Å; W240-F310 HydrophobicContact CZ3-CZ 4.22Å; L306-F310 HydrophobicContact CD1-CD2 4.41Å; L306-F310 HydrophobicContact CD1-CE2 3.63Å; L306-F310 HydrophobicContact CD1-CZ 3.69Å; L306-F310 HydrophobicContact CD2-CE2 4.35Å; L306-F310 HydrophobicContact CG-CD2 4.29Å; L306-F310 HydrophobicContact CG-CE2 3.67Å; L306-F310 HydrophobicContact CG-CZ 4.25Å; L306-F310 VanDerWaalsContact O-CD2 3.23Å; L306-F310 WeakPolarHBondContact O-CD2 3.46Å; L306-F310 PolarHBondContact O-N 3.3Å; I307-F310 PolarHBondContact O-N 2.64Å; F310-F312 VanDerWaalsContact C-N 3.29Å; F310-F312 PolarHBondContact O-N 2.89Å; F310-F313 PolarHBondContact O-N 2.86Å; F310-T314 WeakPolarHBondContact O-CG2 3.5Å; F310-T314 PolarHBondContact O-N 3.33Å; F310-T314 PolarHBondContact O-OG1 3.15Å; F310-M368 HydrophobicContact CB-CB 4.1Å; F310-M368 HydrophobicContact CD1-CB 3.92Å; F310-M368 HydrophobicContact CD1-CG 3.57Å; F310-M368 HydrophobicContact CD1-SD 4.18Å; F310-M368 HydrophobicContact CE1-CG 4.17Å; F310-M368 HydrophobicContact CG-CB 4.28Å; F310-M368 HydrophobicContact CG-CG 4.4Å; F310-A371 HydrophobicContact CD2-CB 3.78Å; F310-A371 HydrophobicContact CE2-CB 3.55Å; F310-A371 HydrophobicContact CG-CB 4.36Å; F310-A371 HydrophobicContact CZ-CB 3.95Å; F310-I372 HydrophobicContact CB-CD1 3.78Å; F310-I372 HydrophobicContact CB-CG1 3.51Å; F310-I372 HydrophobicContact CD2-CG1 4.45Å; F310-I372 HydrophobicContact CG-CG1 4.42Å; F310-L375 HydrophobicContact CD2-CD1 4.03Å; F310-L375 HydrophobicContact CE2-CD1 3.8Å; F310-L394 HydrophobicContact CE2-CD1 4.46Å
311R98.4Very high97.4Very high105 Ų10551.3 Ų51.340%0.39625%0.254SS..Hα-helixtrans-62.7-33.9178.9-73.5-178.5-173.3149.8-4.8113.1I307 E308 T314 S315 I372 E376I307-R311 HydrophobicContact CG2-CG 4.33Å; I307-R311 WeakPolarHBondContact O-CG 3.38Å; I307-R311 PolarHBondContact O-N 3Å; E308-R311 PolarHBondContact O-N 3.46Å; R311-T314 PolarHBondContact O-N 3.05Å; R311-S315 VanDerWaalsContact O-CB 3.28Å; R311-S315 WeakPolarHBondContact O-CB 3.4Å; R311-S315 PolarHBondContact O-N 3.48Å; R311-I372 HydrophobicContact CB-CD1 4.38Å; R311-I372 HydrophobicContact CG-CD1 3.6Å; R311-I372 HydrophobicContact CG-CG1 4.12Å; R311-I372 HydrophobicContact CG-CG2 4.49Å; R311-E376 IonicContact CZ-OE1 2.68Å; R311-E376 IonicContact NE-OE1 2.95Å; R311-E376 IonicContact NH2-OE1 3.86Å; R311-E376 PolarHBondContact NH2-OE1 2.87Å
312F98.4Very high97.5Very high9 Ų948.6 Ų48.64%0.03924%0.241CC..Hα-helixtrans-58.8-51177.1176-98.3000110.8F266 F267 C270 E308 F309 F310 Q316 V317F266-F312 AromaticContact CD1-CE1 3.94Å; F266-F312 HydrophobicContact CD1-CE1 3.94Å; F266-F312 HydrophobicContact CD1-CZ 4.15Å; F266-F312 AromaticContact CE1-CE1 3.9Å; F266-F312 HydrophobicContact CE1-CE1 3.9Å; F266-F312 AromaticContact CE1-CZ 3.72Å; F266-F312 HydrophobicContact CE1-CZ 3.72Å; F267-F312 HydrophobicContact CB-CD1 4.34Å; F267-F312 HydrophobicContact CD2-CB 3.68Å; F267-F312 HydrophobicContact CD2-CD1 4.18Å; F267-F312 HydrophobicContact CD2-CD2 4.41Å; F267-F312 AromaticContact CD2-CG 3.83Å; F267-F312 HydrophobicContact CD2-CG 3.83Å; F267-F312 HydrophobicContact CE2-CB 4.04Å; C270-F312 HydrophobicContact CB-CE2 4.08Å; C270-F312 HydrophobicContact CB-CZ 4.03Å; E308-F312 WeakPolarHBondContact O-CB 3.24Å; E308-F312 PolarHBondContact O-N 3.14Å; F309-F312 WeakPolarHBondContact O-CB 3.39Å; F309-F312 PolarHBondContact O-N 3.48Å; F310-F312 VanDerWaalsContact C-N 3.29Å; F310-F312 PolarHBondContact O-N 2.89Å; F312-Q316 HydrophobicContact CD2-CB 4Å; F312-Q316 HydrophobicContact CD2-CG 4.36Å; F312-Q316 HydrophobicContact CE2-CB 4.26Å; F312-Q316 WeakPolarHBondContact O-CB 3.49Å; F312-Q316 PolarHBondContact O-N 2.97Å; F312-V317 HydrophobicContact CD1-CG2 4.11Å; F312-V317 HydrophobicContact CE1-CG2 3.56Å; F312-V317 HydrophobicContact CZ-CG2 3.79Å
313F98.6Very high97.6Very high0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-72.6-31.5-179.3-74.8-73.2000112.9L263 F267 F309 F310 V317 Y319 L324 W361 L365 M368L263-F313 HydrophobicContact CB-CE1 4.48Å; L263-F313 HydrophobicContact CB-CE2 4.11Å; L263-F313 HydrophobicContact CB-CZ 3.76Å; L263-F313 HydrophobicContact CD2-CD1 4.19Å; L263-F313 HydrophobicContact CD2-CE1 3.34Å; L263-F313 HydrophobicContact CD2-CE2 4.42Å; L263-F313 HydrophobicContact CD2-CZ 3.5Å; L263-F313 VanDerWaalsContact CD2-CZ 3.5Å; L263-F313 HydrophobicContact CG-CE1 4.46Å; L263-F313 HydrophobicContact CG-CZ 4.22Å; L263-F313 WeakPolarHBondContact O-CZ 3.35Å; F267-F313 HydrophobicContact CB-CE2 4.04Å; F309-F313 HydrophobicContact CD2-CD2 4.11Å; F309-F313 AromaticContact CD2-CE2 3.8Å; F309-F313 HydrophobicContact CD2-CE2 3.8Å; F309-F313 HydrophobicContact CE1-CD2 4.47Å; F309-F313 AromaticContact CE2-CD2 3.77Å; F309-F313 HydrophobicContact CE2-CD2 3.77Å; F309-F313 AromaticContact CE2-CE2 3.34Å; F309-F313 HydrophobicContact CE2-CE2 3.34Å; F309-F313 HydrophobicContact CE2-CZ 4.42Å; F309-F313 AromaticContact CZ-CD2 3.95Å; F309-F313 HydrophobicContact CZ-CD2 3.95Å; F309-F313 AromaticContact CZ-CE2 3.9Å; F309-F313 HydrophobicContact CZ-CE2 3.9Å; F309-F313 WeakPolarHBondContact O-CD2 3.47Å; F309-F313 PolarHBondContact O-N 2.84Å; F310-F313 PolarHBondContact O-N 2.86Å; F313-V317 HydrophobicContact CD1-CG2 4.42Å; F313-Y319 VanDerWaalsContact C-OH 3.31Å; F313-Y319 WeakPolarHBondContact CA-OH 3.34Å; F313-Y319 WeakPolarHBondContact CD1-OH 3.47Å; F313-Y319 WeakPolarHBondContact O-CE2 3.3Å; F313-Y319 PolarHBondContact O-OH 3.43Å; F313-L324 HydrophobicContact CE1-CD2 3.65Å; F313-L324 HydrophobicContact CZ-CD2 4.03Å; F313-W361 HydrophobicContact CD1-CH2 4.17Å; F313-W361 HydrophobicContact CD1-CZ2 4.37Å; F313-L365 HydrophobicContact CB-CD2 4.38Å; F313-L365 WeakPolarHBondContact O-CD2 3.48Å; F313-M368 HydrophobicContact CB-CE 4.37Å; F313-M368 HydrophobicContact CB-SD 3.61Å; F313-M368 HydrophobicContact CG-SD 4.37Å
314T98.3Very high97.7Very high33 Ų3345.3 Ų45.320%0.20222%0.224CC..Hα-helixtrans-81.4-27.2179.666.10000114F310 R311 L365 M368 E369F310-T314 WeakPolarHBondContact O-CG2 3.5Å; F310-T314 PolarHBondContact O-N 3.33Å; F310-T314 PolarHBondContact O-OG1 3.15Å; R311-T314 PolarHBondContact O-N 3.05Å; T314-L365 HydrophobicContact CG2-CD2 4.48Å; T314-M368 HydrophobicContact CG2-CB 3.53Å; T314-E369 WeakPolarHBondContact CB-OE1 3.2Å; T314-E369 HydrophobicContact CG2-CG 3.85Å; T314-E369 WeakPolarHBondContact CG2-OE1 3.47Å; T314-E369 PolarHBondContact OG1-OE1 2.98Å
315S97.4Very high97.7Very high91 Ų9141.2 Ų41.264%0.63621%0.206SC*.Hα-helixtrans-123.9-21.9-167.4-54.30000115.9R311R311-S315 VanDerWaalsContact O-CB 3.28Å; R311-S315 WeakPolarHBondContact O-CB 3.4Å; R311-S315 PolarHBondContact O-N 3.48Å
316Q96.8Very high97.7Very high128 Ų12841.2 Ų41.260%0.59821%0.206SC*.THydrogen-bonded Turntrans-107.5-26.1-169.5-59.3-17536.900114.5F312F312-Q316 HydrophobicContact CD2-CB 4Å; F312-Q316 HydrophobicContact CD2-CG 4.36Å; F312-Q316 HydrophobicContact CE2-CB 4.26Å; F312-Q316 WeakPolarHBondContact O-CB 3.49Å; F312-Q316 PolarHBondContact O-N 2.97Å
317V97.6Very high97.5Very high12 Ų1242.2 Ų42.27%0.07321%0.213CC..  trans-89.4122.8-176.6-177.20000110.2F312 F313 Y319 L324 L331F312-V317 HydrophobicContact CD1-CG2 4.11Å; F312-V317 HydrophobicContact CE1-CG2 3.56Å; F312-V317 HydrophobicContact CZ-CG2 3.79Å; F313-V317 HydrophobicContact CD1-CG2 4.42Å; V317-Y319 HydrophobicContact CB-CE1 3.89Å; V317-Y319 HydrophobicContact CB-CE2 4.11Å; V317-Y319 HydrophobicContact CG1-CD1 3.77Å; V317-Y319 HydrophobicContact CG1-CE1 3.45Å; V317-Y319 VanDerWaalsContact CG1-CE1 3.45Å; V317-Y319 HydrophobicContact CG1-CE2 4.37Å; V317-Y319 HydrophobicContact CG1-CG 4.33Å; V317-Y319 PolarHBondContact O-N 2.8Å; V317-L324 HydrophobicContact CG1-CD1 4.23Å; V317-L331 HydrophobicContact CG1-CD2 4.06Å; V317-L331 HydrophobicContact CG2-CD2 4.24Å
318N97.3Very high97.4Very high70 Ų7044.2 Ų44.237%0.37423%0.226SC..  trans-85.591.4169.7-177-18.8000109.9E320 N321 Q322N318-E320 PolarHBondContact O-N 2.98Å; N318-E320 VanDerWaalsContact O-N 3.13Å; N318-E320 WeakPolarHBondContact OD1-CB 3.48Å; N318-E320 PolarHBondContact OD1-N 2.85Å; N318-E320 VanDerWaalsContact OD1-N 3.11Å; N318-N321 PolarHBondContact ND2-ND2 2.9Å; N318-N321 PolarHBondContact O-N 2.89Å; N318-N321 VanDerWaalsContact O-N 3.14Å; N318-N321 PolarHBondContact OD1-N 3.18Å; N318-Q322 HydrophobicContact CB-CG 4.22Å; N318-Q322 VanDerWaalsContact O-CB 3.29Å; N318-Q322 WeakPolarHBondContact O-CB 3.47Å; N318-Q322 PolarHBondContact O-N 3.18Å
319Y97.2Very high97.3Very high39 Ų3942.7 Ų42.715%0.15322%0.221CC..THydrogen-bonded Turntrans-62.4-18.8-177.7-62-70.6000114.7F313 V317 K334 I340 W361 L365F313-Y319 VanDerWaalsContact C-OH 3.31Å; F313-Y319 WeakPolarHBondContact CA-OH 3.34Å; F313-Y319 WeakPolarHBondContact CD1-OH 3.47Å; F313-Y319 WeakPolarHBondContact O-CE2 3.3Å; F313-Y319 PolarHBondContact O-OH 3.43Å; V317-Y319 HydrophobicContact CB-CE1 3.89Å; V317-Y319 HydrophobicContact CB-CE2 4.11Å; V317-Y319 HydrophobicContact CG1-CD1 3.77Å; V317-Y319 HydrophobicContact CG1-CE1 3.45Å; V317-Y319 VanDerWaalsContact CG1-CE1 3.45Å; V317-Y319 HydrophobicContact CG1-CE2 4.37Å; V317-Y319 HydrophobicContact CG1-CG 4.33Å; V317-Y319 PolarHBondContact O-N 2.8Å; Y319-K334 PolarHBondContact O-NZ 3.41Å; Y319-I340 HydrophobicContact CD1-CB 4.47Å; Y319-I340 HydrophobicContact CE1-CD1 4.16Å; Y319-I340 HydrophobicContact CE1-CG1 4.46Å; Y319-W361 HydrophobicContact CD1-CZ2 4.42Å; Y319-W361 AromaticContact CD1-NE1 3.61Å; Y319-W361 AromaticContact CE1-CE2 3.8Å; Y319-W361 AromaticContact CE1-CZ2 3.51Å; Y319-W361 HydrophobicContact CE1-CZ2 3.51Å; Y319-W361 AromaticContact CE1-NE1 3.53Å; Y319-W361 HydrophobicContact CE2-CZ2 4.47Å; Y319-W361 AromaticContact CG-NE1 3.93Å; Y319-W361 AromaticContact CZ-CE2 3.99Å; Y319-W361 AromaticContact CZ-CZ2 3.56Å; Y319-W361 AromaticContact CZ-NE1 3.78Å; Y319-W361 WeakPolarHBondContact OH-CZ2 3.37Å; Y319-L365 HydrophobicContact CD2-CD1 4.36Å; Y319-L365 HydrophobicContact CE2-CD1 3.95Å; Y319-L365 HydrophobicContact CE2-CD2 4.15Å
320E95.5Very high97.2Very high156 Ų15648.7 Ų48.773%0.72925%0.249SC*.THydrogen-bonded Turntrans-69.8-38176.5-60.8-177162.200111.1N318N318-E320 PolarHBondContact O-N 2.98Å; N318-E320 VanDerWaalsContact O-N 3.13Å; N318-E320 WeakPolarHBondContact OD1-CB 3.48Å; N318-E320 PolarHBondContact OD1-N 2.85Å; N318-E320 VanDerWaalsContact OD1-N 3.11Å
321N97.1Very high97.2Very high93 Ų9351 Ų5150%0.49726%0.262SS..THydrogen-bonded Turntrans-122.8-11-166.1-60.6-60.4000114.7N318 K334N318-N321 PolarHBondContact ND2-ND2 2.9Å; N318-N321 PolarHBondContact O-N 2.89Å; N318-N321 VanDerWaalsContact O-N 3.14Å; N318-N321 PolarHBondContact OD1-N 3.18Å; N321-K334 VanDerWaalsContact C-CB 3.46Å; N321-K334 WeakPolarHBondContact O-CB 3.49Å; N321-K334 PolarHBondContact O-N 2.79Å
322Q97.9Very high97.1Very high55 Ų5548 Ų4826%0.25726%0.255SS..EExtended strand (participates in β ladder)trans-116.6143.8-172.2-62.9178.7-45.600113.4N318 L331 T332N318-Q322 HydrophobicContact CB-CG 4.22Å; N318-Q322 VanDerWaalsContact O-CB 3.29Å; N318-Q322 WeakPolarHBondContact O-CB 3.47Å; N318-Q322 PolarHBondContact O-N 3.18Å; Q322-L331 HydrophobicContact CB-CB 4.42Å; Q322-L331 HydrophobicContact CB-CD2 4.26Å; Q322-L331 HydrophobicContact CG-CB 4.49Å; Q322-T332 CarbonylContact C-O 3.58Å; Q322-T332 WeakPolarHBondContact CA-O 3.19Å
323A97.7Very high97Very high1 Ų151.6 Ų51.61%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-115.4152.8169.500000109.9L331 T332 V341 L343A323-L331 WeakPolarHBondContact O-CA 3.45Å; A323-T332 PolarHBondContact N-O 3.3Å; A323-T332 PolarHBondContact O-N 3.12Å; A323-V341 HydrophobicContact CB-CB 3.87Å; A323-V341 HydrophobicContact CB-CG1 3.74Å; A323-L343 HydrophobicContact CB-CD2 4.41Å; A323-L343 HydrophobicContact CB-CG 4.34Å
324L98Very high96.7Very high0 Ų053.6 Ų53.60%030%0.295CS..EExtended strand (participates in β ladder)trans-90.1108.3175.8-74.770.4000108.9L263 F266 F313 V317 L331 V341 I342 L343L263-L324 HydrophobicContact CD2-CD2 4.05Å; F266-L324 HydrophobicContact CB-CD2 4.08Å; F266-L324 HydrophobicContact CD1-CB 3.99Å; F266-L324 HydrophobicContact CD1-CD2 3.26Å; F266-L324 HydrophobicContact CD1-CG 3.48Å; F266-L324 VanDerWaalsContact CD1-CG 3.48Å; F266-L324 HydrophobicContact CD2-CB 3.86Å; F266-L324 HydrophobicContact CD2-CD2 4.46Å; F266-L324 HydrophobicContact CD2-CG 4.28Å; F266-L324 HydrophobicContact CE1-CB 3.96Å; F266-L324 HydrophobicContact CE1-CD1 4.49Å; F266-L324 HydrophobicContact CE1-CD2 3.71Å; F266-L324 HydrophobicContact CE1-CG 3.38Å; F266-L324 HydrophobicContact CE2-CB 3.83Å; F266-L324 HydrophobicContact CE2-CG 4.2Å; F266-L324 HydrophobicContact CG-CB 3.91Å; F266-L324 HydrophobicContact CG-CD2 3.67Å; F266-L324 HydrophobicContact CG-CG 3.92Å; F266-L324 HydrophobicContact CZ-CB 3.86Å; F266-L324 HydrophobicContact CZ-CD2 4.46Å; F266-L324 HydrophobicContact CZ-CG 3.74Å; F313-L324 HydrophobicContact CE1-CD2 3.65Å; F313-L324 HydrophobicContact CZ-CD2 4.03Å; V317-L324 HydrophobicContact CG1-CD1 4.23Å; L324-L331 HydrophobicContact CD1-CD2 4.22Å; L324-L331 HydrophobicContact CG-CD2 4.32Å; L324-V341 PolarHBondContact N-O 2.92Å; L324-I342 HydrophobicContact CB-CB 4.43Å; L324-I342 HydrophobicContact CB-CG1 4.13Å; L324-I342 HydrophobicContact CB-CG2 4.36Å; L324-I342 HydrophobicContact CD2-CG1 4.25Å; L324-I342 WeakPolarHBondContact O-CA 3.28Å; L324-L343 PolarHBondContact O-N 2.82Å
325D96.9Very high96.3Very high19 Ų1958.2 Ų58.210%0.10232%0.323CS..EExtended strand (participates in β ladder)trans-97.7105.2176.9-177.10.4000110.9S327 T328 G329 Q330 T332 L343D325-S327 VanDerWaalsContact C-N 3.32Å; D325-S327 WeakPolarHBondContact OD1-CA 3.45Å; D325-S327 WeakPolarHBondContact OD1-CB 3.26Å; D325-S327 PolarHBondContact OD1-N 3.05Å; D325-T328 WeakPolarHBondContact CB-OG1 3.43Å; D325-T328 PolarHBondContact OD1-N 3.02Å; D325-T328 VanDerWaalsContact OD2-CG2 3.24Å; D325-T328 WeakPolarHBondContact OD2-CG2 3.39Å; D325-T328 PolarHBondContact OD2-OG1 2.82Å; D325-G329 VanDerWaalsContact O-CA 3.23Å; D325-G329 WeakPolarHBondContact O-CA 3.03Å; D325-G329 PolarHBondContact O-N 2.82Å; D325-Q330 WeakPolarHBondContact CB-O 3.27Å; D325-Q330 PolarHBondContact N-O 3.01Å; D325-Q330 VanDerWaalsContact N-O 3.12Å; D325-Q330 PolarHBondContact O-N 3.25Å; D325-T332 HydrophobicContact CB-CG2 3.69Å; D325-L343 HydrophobicContact CB-CD1 4Å
326L96.2Very high96Very high1 Ų157.4 Ų57.41%0.00531%0.309CS..THydrogen-bonded Turntrans-71.6-25.2177.2-71.3168.3000113C262 A265 F266 Q269 I279 I342 P345 I352C262-L326 HydrophobicContact CB-CD1 3.96Å; A265-L326 HydrophobicContact CB-CD2 4.29Å; F266-L326 HydrophobicContact CB-CD2 3.72Å; F266-L326 HydrophobicContact CD2-CD2 4.26Å; Q269-L326 PolarHBondContact NE2-O 3.42Å; Q269-L326 VanDerWaalsContact NE2-O 3.17Å; I279-L326 WeakPolarHBondContact CB-O 3.38Å; I279-L326 HydrophobicContact CD1-CB 3.71Å; I279-L326 HydrophobicContact CG1-CB 4.47Å; I279-L326 VanDerWaalsContact CG1-O 3.27Å; I279-L326 WeakPolarHBondContact CG1-O 3.49Å; I279-L326 PolarHBondContact N-O 3.34Å; I279-L326 VanDerWaalsContact N-O 3.15Å; L326-I342 HydrophobicContact CD1-CG2 3.85Å; L326-I342 HydrophobicContact CG-CG2 4.18Å; L326-P345 HydrophobicContact CB-CG 4.44Å; L326-I352 HydrophobicContact CD1-CD1 4.36Å
327S95.7Very high95.8Very high21 Ų2161.9 Ų61.915%0.14733%0.327CS..THydrogen-bonded Turntrans-64.3-50.4179.5-57.40000110.2S278 I279 D280 D325 P345S278-S327 WeakPolarHBondContact CB-O 3.45Å; S278-S327 PolarHBondContact OG-O 2.97Å; I279-S327 PolarHBondContact N-O 3.18Å; D280-S327 WeakPolarHBondContact CB-O 3.23Å; D280-S327 VanDerWaalsContact CG-O 3.27Å; D280-S327 PolarHBondContact N-O 3.26Å; D325-S327 VanDerWaalsContact C-N 3.32Å; D325-S327 WeakPolarHBondContact OD1-CA 3.45Å; D325-S327 WeakPolarHBondContact OD1-CB 3.26Å; D325-S327 PolarHBondContact OD1-N 3.05Å; S327-P345 WeakPolarHBondContact OG-CA 3.1Å; S327-P345 VanDerWaalsContact OG-CB 3.31Å; S327-P345 WeakPolarHBondContact OG-CB 3.47Å
328T95.5Very high95.8Very high55 Ų5562.1 Ų62.134%0.33733%0.331SS..THydrogen-bonded Turntrans-90.1-21.6179.261.80000113.6S278 D325S278-T328 VanDerWaalsContact CB-C 3.47Å; S278-T328 VanDerWaalsContact CB-O 3.24Å; S278-T328 WeakPolarHBondContact CB-O 3.37Å; D325-T328 WeakPolarHBondContact CB-OG1 3.43Å; D325-T328 PolarHBondContact OD1-N 3.02Å; D325-T328 VanDerWaalsContact OD2-CG2 3.24Å; D325-T328 WeakPolarHBondContact OD2-CG2 3.39Å; D325-T328 PolarHBondContact OD2-OG1 2.82Å
329G96Very high95.8Very high9 Ų960.1 Ų60.19%0.09332%0.321CS..THydrogen-bonded Turntrans71.532-174.700000112.6C270 D325C270-G329 PolarHBondContact SG-O 2.97Å; D325-G329 VanDerWaalsContact O-CA 3.23Å; D325-G329 WeakPolarHBondContact O-CA 3.03Å; D325-G329 PolarHBondContact O-N 2.82Å
330Q96.8Very high95.8Very high125 Ų12558.3 Ų58.358%0.58431%0.314SS*.EExtended strand (participates in β ladder)trans-134.5157.3-174.9-63.2-173.5-6.500112F266 D325F266-Q330 VanDerWaalsContact CE2-O 3.32Å; F266-Q330 WeakPolarHBondContact CE2-O 3.43Å; F266-Q330 WeakPolarHBondContact CZ-O 3.33Å; D325-Q330 WeakPolarHBondContact CB-O 3.27Å; D325-Q330 PolarHBondContact N-O 3.01Å; D325-Q330 VanDerWaalsContact N-O 3.12Å; D325-Q330 PolarHBondContact O-N 3.25Å
331L97.8Very high95.9Very high50 Ų5051 Ų5126%0.26228%0.28SS..EExtended strand (participates in β ladder)trans-76.2122.1167-69.1166.4000108.8F266 V317 Q322 A323 L324F266-L331 HydrophobicContact CE1-CD2 3.75Å; F266-L331 HydrophobicContact CE1-CG 4.18Å; F266-L331 HydrophobicContact CZ-CD2 3.69Å; F266-L331 HydrophobicContact CZ-CG 3.92Å; V317-L331 HydrophobicContact CG1-CD2 4.06Å; V317-L331 HydrophobicContact CG2-CD2 4.24Å; Q322-L331 HydrophobicContact CB-CB 4.42Å; Q322-L331 HydrophobicContact CB-CD2 4.26Å; Q322-L331 HydrophobicContact CG-CB 4.49Å; A323-L331 WeakPolarHBondContact O-CA 3.45Å; L324-L331 HydrophobicContact CD1-CD2 4.22Å; L324-L331 HydrophobicContact CG-CD2 4.32Å
332T96.1Very high95.9Very high41 Ų4146.6 Ų46.625%0.25226%0.257SS..EExtended strand (participates in β ladder)trans-115.4167.9-179.157.60000110.9Q322 A323 D325 K334Q322-T332 CarbonylContact C-O 3.58Å; Q322-T332 WeakPolarHBondContact CA-O 3.19Å; A323-T332 PolarHBondContact N-O 3.3Å; A323-T332 PolarHBondContact O-N 3.12Å; D325-T332 HydrophobicContact CB-CG2 3.69Å; T332-K334 PolarHBondContact O-N 2.92Å
333A96.5Very high95.9Very high84 Ų8446.4 Ų46.469%0.69426%0.257SS*.EExtended strand (participates in β ladder)trans-66.5133177.300000111
334K92.4Very high95.6Very high42 Ų4247.2 Ų47.218%0.18326%0.261CS..  trans-77.5137.5178.3-177.2172.4164.3-166.50111.1Y319 N321 T332 E336 A338 V341Y319-K334 PolarHBondContact O-NZ 3.41Å; N321-K334 VanDerWaalsContact C-CB 3.46Å; N321-K334 WeakPolarHBondContact O-CB 3.49Å; N321-K334 PolarHBondContact O-N 2.79Å; T332-K334 PolarHBondContact O-N 2.92Å; K334-E336 WeakPolarHBondContact CE-O 3.41Å; K334-E336 VanDerWaalsContact CG-O 3.29Å; K334-E336 WeakPolarHBondContact CG-O 3.32Å; K334-A338 WeakPolarHBondContact CE-O 3.36Å; K334-A338 PolarHBondContact NZ-O 2.91Å; K334-V341 HydrophobicContact CD-CG2 4.13Å; K334-V341 HydrophobicContact CG-CG2 4.05Å
335T89.4Confident95.4Very high131 Ų13148.5 Ų48.580%0.80427%0.27SS*.  trans-110.9-9.3-17753.80000114.3
336E92Very high95.1Very high74 Ų7449.7 Ų49.735%0.34628%0.275SS..SBendtrans-136.8151.6-176.259.4172.1-150.300111.7K334 A338 V341 N351K334-E336 WeakPolarHBondContact CE-O 3.41Å; K334-E336 VanDerWaalsContact CG-O 3.29Å; K334-E336 WeakPolarHBondContact CG-O 3.32Å; E336-A338 PolarHBondContact O-N 2.85Å; E336-V341 HydrophobicContact CG-CG2 3.9Å; E336-N351 WeakPolarHBondContact OE1-CB 3.48Å; E336-N351 PolarHBondContact OE1-ND2 3.46Å
337F92.8Very high94.7Very high221 Ų22152.2 Ų52.297%0.96929%0.287SS*.  trans-83.693.1177-64.1-78.8000111.2
338A96.3Very high94.2Very high18 Ų1858.7 Ų58.715%0.14932%0.32CS..  trans-136.6153.3172.800000110.6K334 E336 I340 V341K334-A338 WeakPolarHBondContact CE-O 3.36Å; K334-A338 PolarHBondContact NZ-O 2.91Å; E336-A338 PolarHBondContact O-N 2.85Å; A338-I340 PolarHBondContact O-N 3.32Å; A338-V341 HydrophobicContact CB-CG2 3.87Å
339P97.1Very high93.6Very high27 Ų2762.2 Ų62.218%0.17535%0.347CS..SBendtrans-64.4-29.2-178.426.3-35.6000113.1V356 W361P339-V356 WeakPolarHBondContact CG-O 3.35Å; P339-W361 HydrophobicContact CB-CB 3.95Å; P339-W361 HydrophobicContact CB-CG 4.24Å; P339-W361 HydrophobicContact CG-CB 4.39Å
340I97.9Very high93.4Very high2 Ų263.2 Ų63.21%0.0135%0.349CS..SBendtrans-148.8140.3171.4178.2161.2000109.1L263 Y319 A338 I342 N351 T353 V356 W361L263-I340 HydrophobicContact CD2-CD1 3.67Å; Y319-I340 HydrophobicContact CD1-CB 4.47Å; Y319-I340 HydrophobicContact CE1-CD1 4.16Å; Y319-I340 HydrophobicContact CE1-CG1 4.46Å; A338-I340 PolarHBondContact O-N 3.32Å; I340-I342 HydrophobicContact CG1-CG1 4.46Å; I340-N351 PolarHBondContact O-ND2 2.85Å; I340-T353 VanDerWaalsContact C-OG1 3.3Å; I340-T353 HydrophobicContact CG2-CG2 4.23Å; I340-T353 PolarHBondContact O-OG1 3.05Å; I340-V356 HydrophobicContact CG2-CB 4.29Å; I340-V356 HydrophobicContact CG2-CG1 4.16Å; I340-W361 HydrophobicContact CB-CD2 4.14Å; I340-W361 HydrophobicContact CB-CG 4.39Å; I340-W361 HydrophobicContact CB-CZ2 4.44Å; I340-W361 HydrophobicContact CD1-CD2 4.37Å; I340-W361 HydrophobicContact CD1-CE3 4.38Å; I340-W361 HydrophobicContact CD1-CH2 3.51Å; I340-W361 HydrophobicContact CD1-CZ2 3.45Å; I340-W361 VanDerWaalsContact CD1-CZ2 3.45Å; I340-W361 HydrophobicContact CD1-CZ3 3.98Å; I340-W361 HydrophobicContact CG1-CZ2 4.48Å; I340-W361 HydrophobicContact CG2-CD2 3.89Å; I340-W361 HydrophobicContact CG2-CE3 4.11Å; I340-W361 HydrophobicContact CG2-CG 4.1Å
341V97.8Very high93.3Very high2 Ų257.5 Ų57.51%0.01232%0.323CS..  trans-124.4121.8178.3-179.50000109.2A323 L324 K334 E336 A338 L343 N351A323-V341 HydrophobicContact CB-CB 3.87Å; A323-V341 HydrophobicContact CB-CG1 3.74Å; L324-V341 PolarHBondContact N-O 2.92Å; K334-V341 HydrophobicContact CD-CG2 4.13Å; K334-V341 HydrophobicContact CG-CG2 4.05Å; E336-V341 HydrophobicContact CG-CG2 3.9Å; A338-V341 HydrophobicContact CB-CG2 3.87Å; V341-L343 HydrophobicContact CG1-CD2 3.91Å; V341-N351 WeakPolarHBondContact CA-OD1 3.29Å; V341-N351 HydrophobicContact CG1-CB 4.23Å
342I97.8Very high93.2Very high0 Ų055.7 Ų55.70%031%0.313CS..EExtended strand (participates in β ladder)trans-117.4118.1168.2-52.6-179.7000107.7C262 L263 L324 L326 I340 N351 I352 T353C262-I342 HydrophobicContact CB-CD1 3.92Å; C262-I342 HydrophobicContact CB-CG2 4.18Å; L263-I342 HydrophobicContact CD2-CD1 3.74Å; L263-I342 HydrophobicContact CG-CD1 4.02Å; L324-I342 HydrophobicContact CB-CB 4.43Å; L324-I342 HydrophobicContact CB-CG1 4.13Å; L324-I342 HydrophobicContact CB-CG2 4.36Å; L324-I342 HydrophobicContact CD2-CG1 4.25Å; L324-I342 WeakPolarHBondContact O-CA 3.28Å; L326-I342 HydrophobicContact CD1-CG2 3.85Å; L326-I342 HydrophobicContact CG-CG2 4.18Å; I340-I342 HydrophobicContact CG1-CG1 4.46Å; I342-N351 PolarHBondContact N-OD1 3.33Å; I342-N351 WeakPolarHBondContact O-CA 3.48Å; I342-N351 PolarHBondContact O-OD1 2.95Å; I342-I352 HydrophobicContact CB-CB 4.2Å; I342-I352 HydrophobicContact CG2-CB 4.47Å; I342-I352 HydrophobicContact CG2-CD1 4.07Å; I342-I352 PolarHBondContact O-N 3.17Å; I342-T353 HydrophobicContact CB-CG2 4.44Å; I342-T353 HydrophobicContact CD1-CG2 3.66Å; I342-T353 HydrophobicContact CG1-CG2 3.83Å; I342-T353 PolarHBondContact N-OG1 3.41Å
343L96.3Very high93.2Very high51 Ų5153.8 Ų53.827%0.26730%0.301SS..EExtended strand (participates in β ladder)trans-72.6133.5179.8-56-177.7000110.3A323 L324 D325 V341 P345A323-L343 HydrophobicContact CB-CD2 4.41Å; A323-L343 HydrophobicContact CB-CG 4.34Å; L324-L343 PolarHBondContact O-N 2.82Å; D325-L343 HydrophobicContact CB-CD1 4Å; V341-L343 HydrophobicContact CG1-CD2 3.91Å; L343-P345 WeakPolarHBondContact O-CD 3.42Å
344N92.6Very high93.2Very high18 Ų1857.4 Ų57.410%0.09630%0.297CS..  trans-80.4116.5176.8-170-22.8000111.1M346 E347 H350 I352N344-M346 PolarHBondContact O-N 3.02Å; N344-M346 PolarHBondContact OD1-N 3.13Å; N344-E347 HydrophobicContact CB-CB 4.28Å; N344-E347 PolarHBondContact O-N 3.33Å; N344-E347 PolarHBondContact OD1-N 2.89Å; N344-H350 HydrophobicContact CB-CB 4.07Å; N344-H350 VanDerWaalsContact CB-O 3.26Å; N344-H350 WeakPolarHBondContact CB-O 3.46Å; N344-H350 PolarHBondContact N-O 2.97Å; N344-I352 HydrophobicContact CB-CD1 4.05Å; N344-I352 HydrophobicContact CB-CG1 3.72Å
345P92.9Very high93.3Very high28 Ų2858.2 Ų58.218%0.18230%0.303CS..THydrogen-bonded Turntrans-69.1-15.5179.731.1-39.3000113.9I279 L326 S327 L343I279-P345 HydrophobicContact CD1-CB 4.05Å; I279-P345 HydrophobicContact CD1-CG 3.67Å; I279-P345 HydrophobicContact CG2-CB 4.13Å; L326-P345 HydrophobicContact CB-CG 4.44Å; S327-P345 WeakPolarHBondContact OG-CA 3.1Å; S327-P345 VanDerWaalsContact OG-CB 3.31Å; S327-P345 WeakPolarHBondContact OG-CB 3.47Å; L343-P345 WeakPolarHBondContact O-CD 3.42Å
346M91.5Very high93.7Very high44 Ų4452.3 Ų52.322%0.21727%0.267CS..THydrogen-bonded Turntrans-104.1-11.6-177.9-56.2-58.6167.400113.1S212 Q215 T216 V219 I279 L283 N344S212-M346 WeakPolarHBondContact OG-CB 3.44Å; Q215-M346 HydrophobicContact CB-CE 3.86Å; Q215-M346 HydrophobicContact CB-CG 4.45Å; Q215-M346 HydrophobicContact CB-SD 3.62Å; T216-M346 VanDerWaalsContact OG1-CG 3.3Å; T216-M346 WeakPolarHBondContact OG1-CG 3.34Å; V219-M346 HydrophobicContact CG2-CE 3.74Å; I279-M346 HydrophobicContact CG2-CE 4.39Å; L283-M346 HydrophobicContact CD1-CE 4.19Å; L283-M346 HydrophobicContact CD2-CE 4.49Å; N344-M346 PolarHBondContact O-N 3.02Å; N344-M346 PolarHBondContact OD1-N 3.13Å
347E88.1Confident93.8Very high54 Ų5453.7 Ų53.725%0.25227%0.273SS..SBendtrans-143.1108.1-174.9-67.1175.3-140.100110.3R189 S212 N344 H350R189-E347 IonicContact CZ-OE2 3.51Å; R189-E347 IonicContact NE-OE2 4Å; R189-E347 IonicContact NH2-OE2 3.77Å; R189-E347 PolarHBondContact NH2-OE2 2.93Å; S212-E347 VanDerWaalsContact CB-OE1 3.29Å; S212-E347 WeakPolarHBondContact CB-OE1 3.48Å; S212-E347 PolarHBondContact OG-OE1 3.46Å; N344-E347 HydrophobicContact CB-CB 4.28Å; N344-E347 PolarHBondContact O-N 3.33Å; N344-E347 PolarHBondContact OD1-N 2.89Å; E347-H350 HydrophobicContact CB-CB 4.08Å; E347-H350 WeakPolarHBondContact O-CB 3.37Å; E347-H350 PolarHBondContact O-N 2.76Å; E347-H350 IonicContact OE2-CD2 3.31Å
348D84.2Confident94Very high157 Ų15747 Ų4784%0.8425%0.254SS*.THydrogen-bonded Turntrans-56141.2-177.5-62.1-33.5000112.4H350D348-H350 PolarHBondContact O-N 3.47Å
349S84.4Confident93.9Very high128 Ų12848.8 Ų48.890%0.89527%0.274SS*.THydrogen-bonded Turntrans58.315.3177.4-54.80000115
350H90.2Very high93.9Very high31 Ų3147.8 Ų47.814%0.14427%0.267CS..  trans-97.5114.6176.4-17626.8000111.8R189 N344 E347 D348 I352R189-H350 VanDerWaalsContact CZ-CD2 3.45Å; R189-H350 PolarHBondContact NH1-CD2 3.19Å; R189-H350 PolarHBondContact NH1-CE1 2.64Å; R189-H350 PolarHBondContact NH1-ND1 2.68Å; R189-H350 VanDerWaalsContact NH1-ND1 3.18Å; R189-H350 PolarHBondContact NH1-NE2 3.08Å; R189-H350 PolarHBondContact NH2-CD2 2.75Å; N344-H350 HydrophobicContact CB-CB 4.07Å; N344-H350 VanDerWaalsContact CB-O 3.26Å; N344-H350 WeakPolarHBondContact CB-O 3.46Å; N344-H350 PolarHBondContact N-O 2.97Å; E347-H350 HydrophobicContact CB-CB 4.08Å; E347-H350 WeakPolarHBondContact O-CB 3.37Å; E347-H350 PolarHBondContact O-N 2.76Å; E347-H350 IonicContact OE2-CD2 3.31Å; D348-H350 PolarHBondContact O-N 3.47Å; H350-I352 PolarHBondContact O-N 3.43Å
351N95.3Very high93.8Very high5 Ų548 Ų483%0.02727%0.268CS..BIsolated β-bridgetrans-75.5115.3165.517911.3000111.4E336 I340 V341 I342 T353 R354E336-N351 WeakPolarHBondContact OE1-CB 3.48Å; E336-N351 PolarHBondContact OE1-ND2 3.46Å; I340-N351 PolarHBondContact O-ND2 2.85Å; V341-N351 WeakPolarHBondContact CA-OD1 3.29Å; V341-N351 HydrophobicContact CG1-CB 4.23Å; I342-N351 PolarHBondContact N-OD1 3.33Å; I342-N351 WeakPolarHBondContact O-CA 3.48Å; I342-N351 PolarHBondContact O-OD1 2.95Å; N351-T353 PolarHBondContact O-N 3.33Å; N351-T353 PolarHBondContact OD1-N 2.86Å; N351-T353 PolarHBondContact OD1-OG1 3.24Å; N351-R354 HydrophobicContact CB-CB 4.34Å; N351-R354 WeakPolarHBondContact O-CB 3.45Å; N351-R354 PolarHBondContact O-N 2.68Å
352I95.4Very high93.8Very high12 Ų1252.7 Ų52.76%0.06229%0.289CS..THydrogen-bonded Turntrans-61.2-31.9177.1-63.9176000111.1F258 Q259 L326 I342 N344 H350F258-I352 HydrophobicContact CD1-CG2 3.71Å; F258-I352 HydrophobicContact CE1-CD1 3.91Å; F258-I352 HydrophobicContact CE1-CG1 4.24Å; F258-I352 HydrophobicContact CE1-CG2 3.49Å; F258-I352 VanDerWaalsContact CE1-CG2 3.49Å; F258-I352 HydrophobicContact CZ-CD1 4.24Å; Q259-I352 HydrophobicContact CG-CG2 3.73Å; Q259-I352 PolarHBondContact NE2-O 2.93Å; L326-I352 HydrophobicContact CD1-CD1 4.36Å; I342-I352 HydrophobicContact CB-CB 4.2Å; I342-I352 HydrophobicContact CG2-CB 4.47Å; I342-I352 HydrophobicContact CG2-CD1 4.07Å; I342-I352 PolarHBondContact O-N 3.17Å; N344-I352 HydrophobicContact CB-CD1 4.05Å; N344-I352 HydrophobicContact CB-CG1 3.72Å; H350-I352 PolarHBondContact O-N 3.43Å
353T96.9Very high93.8Very high0 Ų053.7 Ų53.70%029%0.293CS..THydrogen-bonded Turntrans-96.819.3-178.448.50000114.2L255 Q259 I340 I342 N351 N355 V356L255-T353 HydrophobicContact CD2-CG2 4.49Å; Q259-T353 HydrophobicContact CB-CG2 4.31Å; Q259-T353 HydrophobicContact CG-CG2 3.8Å; I340-T353 VanDerWaalsContact C-OG1 3.3Å; I340-T353 HydrophobicContact CG2-CG2 4.23Å; I340-T353 PolarHBondContact O-OG1 3.05Å; I342-T353 HydrophobicContact CB-CG2 4.44Å; I342-T353 HydrophobicContact CD1-CG2 3.66Å; I342-T353 HydrophobicContact CG1-CG2 3.83Å; I342-T353 PolarHBondContact N-OG1 3.41Å; N351-T353 PolarHBondContact O-N 3.33Å; N351-T353 PolarHBondContact OD1-N 2.86Å; N351-T353 PolarHBondContact OD1-OG1 3.24Å; T353-N355 PolarHBondContact O-N 3.49Å; T353-V356 HydrophobicContact CG2-CG2 4.22Å; T353-V356 WeakPolarHBondContact O-CB 3.43Å; T353-V356 PolarHBondContact O-N 3.46Å
354R95.2Very high93.8Very high161 Ų16151.3 Ų51.361%0.60828%0.281SS*.THydrogen-bonded Turntrans-56.1-24.1-177.967.5172.7-174.5161.47.9115.8N351N351-R354 HydrophobicContact CB-CB 4.34Å; N351-R354 WeakPolarHBondContact O-CB 3.45Å; N351-R354 PolarHBondContact O-N 2.68Å
355N95.5Very high94.1Very high59 Ų5951.5 Ų51.532%0.31628%0.282SS..THydrogen-bonded Turntrans-85.3-14.6179.965.9-71000112.5G252 T253 W254 Q259 T353 E357G252-N355 PolarHBondContact O-ND2 3.22Å; T253-N355 VanDerWaalsContact CA-O 3.28Å; T253-N355 WeakPolarHBondContact CA-O 3.48Å; W254-N355 PolarHBondContact O-ND2 2.92Å; Q259-N355 PolarHBondContact NE2-OD1 2.89Å; T353-N355 PolarHBondContact O-N 3.49Å; N355-E357 PolarHBondContact O-N 3.31Å
356V96.7Very high94.4Very high6 Ų654.3 Ų54.34%0.03629%0.292CS..  trans-75.8121.8-172.2-177.50000109.4T253 L255 P339 I340 T353 W361T253-V356 VanDerWaalsContact O-CA 3.28Å; T253-V356 WeakPolarHBondContact O-CA 3.5Å; L255-V356 HydrophobicContact CD2-CG2 3.79Å; P339-V356 WeakPolarHBondContact CG-O 3.35Å; I340-V356 HydrophobicContact CG2-CB 4.29Å; I340-V356 HydrophobicContact CG2-CG1 4.16Å; T353-V356 HydrophobicContact CG2-CG2 4.22Å; T353-V356 WeakPolarHBondContact O-CB 3.43Å; T353-V356 PolarHBondContact O-N 3.46Å; V356-W361 HydrophobicContact CG1-CB 3.98Å
357E95.9Very high94.7Very high104 Ų10452.2 Ų52.249%0.48628%0.282SS..  trans-85.6156.3176.9-76.9-176.5173.100112.6T253 N355 G359 E360 W361T253-E357 HydrophobicContact CG2-CG 3.76Å; T253-E357 VanDerWaalsContact CG2-OE1 3.29Å; T253-E357 WeakPolarHBondContact CG2-OE1 3.38Å; T253-E357 PolarHBondContact O-N 3.28Å; N355-E357 PolarHBondContact O-N 3.31Å; E357-G359 VanDerWaalsContact C-N 3.32Å; E357-G359 PolarHBondContact O-N 3.08Å; E357-E360 PolarHBondContact O-N 3.36Å; E357-W361 PolarHBondContact O-N 2.92Å
358S96.2Very high95.2Very high81 Ų8149.7 Ų49.757%0.56627%0.27SS*.Hα-helixtrans-60.4-39.3-176.3-55.50000113W361 Q362S358-W361 PolarHBondContact O-N 2.81Å; S358-Q362 WeakPolarHBondContact O-CB 3.49Å; S358-Q362 PolarHBondContact O-N 2.8Å
359G95.1Very high95.9Very high54 Ų5445.5 Ų45.556%0.55725%0.246SC*.Hα-helixtrans-64.4-42.5177.300000112.6E357 R363E357-G359 VanDerWaalsContact C-N 3.32Å; E357-G359 PolarHBondContact O-N 3.08Å; G359-R363 WeakPolarHBondContact O-CB 3.33Å; G359-R363 PolarHBondContact O-N 2.61Å
360E95.4Very high96.5Very high6 Ų641.2 Ų41.23%0.02821%0.214CC..Hα-helixtrans-68.4-40.1177.7-69.2-59135.300111.8W254 E357 R363 C364W254-E360 HydrophobicContact CB-CG 4.33Å; E357-E360 PolarHBondContact O-N 3.36Å; E360-R363 PolarHBondContact O-N 3.42Å; E360-R363 IonicContact OE2-NH1 3.05Å; E360-C364 PolarHBondContact O-N 3.38Å; E360-C364 PolarHBondContact O-SG 3.41Å
361W97.5Very high96.9Very high8 Ų839.7 Ų39.73%0.0321%0.207CC..Hα-helixtrans-67.7-43175.8-175.9-121.5000112.5L255 L263 F313 Y319 P339 I340 V356 E357 S358 R363 C364 L365 M368L255-W361 HydrophobicContact CD1-CE3 4.35Å; L255-W361 HydrophobicContact CD1-CZ3 4.02Å; L263-W361 HydrophobicContact CD1-CZ3 4.36Å; L263-W361 HydrophobicContact CD2-CH2 4.48Å; F313-W361 HydrophobicContact CD1-CH2 4.17Å; F313-W361 HydrophobicContact CD1-CZ2 4.37Å; Y319-W361 HydrophobicContact CD1-CZ2 4.42Å; Y319-W361 AromaticContact CD1-NE1 3.61Å; Y319-W361 AromaticContact CE1-CE2 3.8Å; Y319-W361 AromaticContact CE1-CZ2 3.51Å; Y319-W361 HydrophobicContact CE1-CZ2 3.51Å; Y319-W361 AromaticContact CE1-NE1 3.53Å; Y319-W361 HydrophobicContact CE2-CZ2 4.47Å; Y319-W361 AromaticContact CG-NE1 3.93Å; Y319-W361 AromaticContact CZ-CE2 3.99Å; Y319-W361 AromaticContact CZ-CZ2 3.56Å; Y319-W361 AromaticContact CZ-NE1 3.78Å; Y319-W361 WeakPolarHBondContact OH-CZ2 3.37Å; P339-W361 HydrophobicContact CB-CB 3.95Å; P339-W361 HydrophobicContact CB-CG 4.24Å; P339-W361 HydrophobicContact CG-CB 4.39Å; I340-W361 HydrophobicContact CB-CD2 4.14Å; I340-W361 HydrophobicContact CB-CG 4.39Å; I340-W361 HydrophobicContact CB-CZ2 4.44Å; I340-W361 HydrophobicContact CD1-CD2 4.37Å; I340-W361 HydrophobicContact CD1-CE3 4.38Å; I340-W361 HydrophobicContact CD1-CH2 3.51Å; I340-W361 HydrophobicContact CD1-CZ2 3.45Å; I340-W361 VanDerWaalsContact CD1-CZ2 3.45Å; I340-W361 HydrophobicContact CD1-CZ3 3.98Å; I340-W361 HydrophobicContact CG1-CZ2 4.48Å; I340-W361 HydrophobicContact CG2-CD2 3.89Å; I340-W361 HydrophobicContact CG2-CE3 4.11Å; I340-W361 HydrophobicContact CG2-CG 4.1Å; V356-W361 HydrophobicContact CG1-CB 3.98Å; E357-W361 PolarHBondContact O-N 2.92Å; S358-W361 PolarHBondContact O-N 2.81Å; W361-R363 VanDerWaalsContact C-N 3.3Å; W361-R363 PolarHBondContact O-N 2.92Å; W361-C364 HydrophobicContact CE3-CB 3.82Å; W361-C364 HydrophobicContact CZ3-CB 3.99Å; W361-C364 WeakPolarHBondContact O-CA 3.34Å; W361-C364 VanDerWaalsContact O-CB 3.26Å; W361-C364 WeakPolarHBondContact O-CB 3.39Å; W361-C364 PolarHBondContact O-N 3.05Å; W361-L365 HydrophobicContact CH2-CD2 4.31Å; W361-L365 HydrophobicContact CZ2-CD2 3.71Å; W361-L365 HydrophobicContact CZ2-CG 4.24Å; W361-L365 PolarHBondContact O-N 3.35Å; W361-M368 HydrophobicContact CH2-CE 4.39Å
362Q97Very high97.1Very high99 Ų9939.9 Ų39.946%0.46321%0.207SC..Hα-helixtrans-59.2-44.5175.7-18056.33400111S358 C364 L365 E366S358-Q362 WeakPolarHBondContact O-CB 3.49Å; S358-Q362 PolarHBondContact O-N 2.8Å; Q362-C364 VanDerWaalsContact C-N 3.31Å; Q362-C364 PolarHBondContact O-N 2.89Å; Q362-L365 PolarHBondContact O-N 3.04Å; Q362-L365 VanDerWaalsContact O-N 3.16Å; Q362-E366 PolarHBondContact NE2-OE1 3.32Å; Q362-E366 VanDerWaalsContact NE2-OE1 3.1Å; Q362-E366 WeakPolarHBondContact O-CG 3.48Å; Q362-E366 PolarHBondContact O-N 3.4Å
363R96.7Very high97.1Very high22 Ų2244.5 Ų44.58%0.08323%0.227CC..Hα-helixtrans-59.6-40.2172.8-179.8177.5171.7-107.3-10.7112.2I244 G245 L246 G359 E360 W361 L365 E366 C367 P401I244-R363 PolarHBondContact O-NH2 2.94Å; G245-R363 PolarHBondContact O-NH1 3.31Å; L246-R363 HydrophobicContact CD2-CG 4.2Å; G359-R363 WeakPolarHBondContact O-CB 3.33Å; G359-R363 PolarHBondContact O-N 2.61Å; E360-R363 PolarHBondContact O-N 3.42Å; E360-R363 IonicContact OE2-NH1 3.05Å; W361-R363 VanDerWaalsContact C-N 3.3Å; W361-R363 PolarHBondContact O-N 2.92Å; R363-L365 VanDerWaalsContact C-N 3.33Å; R363-L365 PolarHBondContact O-N 3.03Å; R363-E366 PolarHBondContact O-N 3.3Å; R363-C367 WeakPolarHBondContact O-CB 3.34Å; R363-C367 PolarHBondContact O-N 2.94Å; R363-C367 PolarHBondContact O-SG 3.42Å; R363-P401 PolarHBondContact NE-O 3.27Å
364C97.9Very high97Very high1 Ų145.3 Ų45.31%0.00723%0.231CC..Hα-helixtrans-57.1-47.4174.5-68.60000111.2L246 L255 E360 W361 Q362 C367 M368L246-C364 HydrophobicContact CD1-CB 4.37Å; L246-C364 HydrophobicContact CD2-CB 4.45Å; L255-C364 VanDerWaalsContact CD1-SG 3.59Å; E360-C364 PolarHBondContact O-N 3.38Å; E360-C364 PolarHBondContact O-SG 3.41Å; W361-C364 HydrophobicContact CE3-CB 3.82Å; W361-C364 HydrophobicContact CZ3-CB 3.99Å; W361-C364 WeakPolarHBondContact O-CA 3.34Å; W361-C364 VanDerWaalsContact O-CB 3.26Å; W361-C364 WeakPolarHBondContact O-CB 3.39Å; W361-C364 PolarHBondContact O-N 3.05Å; Q362-C364 VanDerWaalsContact C-N 3.31Å; Q362-C364 PolarHBondContact O-N 2.89Å; C364-C367 PolarHBondContact O-N 2.81Å; C364-M368 VanDerWaalsContact O-CG 3.28Å; C364-M368 WeakPolarHBondContact O-CG 3.45Å; C364-M368 PolarHBondContact O-N 3.45Å
365L98.4Very high97.1Very high22 Ų2237.7 Ų37.712%0.11520%0.203CC..Hα-helixtrans-63-43.4179.5-64.1176.5000112.3F313 T314 Y319 W361 Q362 R363 C367 M368 E369F313-L365 HydrophobicContact CB-CD2 4.38Å; F313-L365 WeakPolarHBondContact O-CD2 3.48Å; T314-L365 HydrophobicContact CG2-CD2 4.48Å; Y319-L365 HydrophobicContact CD2-CD1 4.36Å; Y319-L365 HydrophobicContact CE2-CD1 3.95Å; Y319-L365 HydrophobicContact CE2-CD2 4.15Å; W361-L365 HydrophobicContact CH2-CD2 4.31Å; W361-L365 HydrophobicContact CZ2-CD2 3.71Å; W361-L365 HydrophobicContact CZ2-CG 4.24Å; W361-L365 PolarHBondContact O-N 3.35Å; Q362-L365 PolarHBondContact O-N 3.04Å; Q362-L365 VanDerWaalsContact O-N 3.16Å; R363-L365 VanDerWaalsContact C-N 3.33Å; R363-L365 PolarHBondContact O-N 3.03Å; L365-C367 VanDerWaalsContact C-N 3.33Å; L365-C367 PolarHBondContact O-N 2.93Å; L365-M368 WeakPolarHBondContact O-CB 3.3Å; L365-M368 PolarHBondContact O-N 3.39Å; L365-M368 VanDerWaalsContact O-N 3.14Å; L365-E369 PolarHBondContact O-N 2.86Å
366E98.2Very high97Very high86 Ų8638.5 Ų38.540%0.40221%0.205SC..Hα-helixtrans-60.6-42.6175.6-71.7169.5-166.200111.9Q362 R363 M368 E369 V370 P401Q362-E366 PolarHBondContact NE2-OE1 3.32Å; Q362-E366 VanDerWaalsContact NE2-OE1 3.1Å; Q362-E366 WeakPolarHBondContact O-CG 3.48Å; Q362-E366 PolarHBondContact O-N 3.4Å; R363-E366 PolarHBondContact O-N 3.3Å; E366-M368 VanDerWaalsContact C-N 3.34Å; E366-M368 PolarHBondContact O-N 2.84Å; E366-E369 PolarHBondContact O-N 2.98Å; E366-V370 WeakPolarHBondContact O-CG2 3.38Å; E366-V370 PolarHBondContact O-N 3.07Å; E366-V370 VanDerWaalsContact O-N 3.09Å; E366-P401 HydrophobicContact CB-CG 4.31Å
367C98.5Very high96.7Very high0 Ų047.8 Ų47.80%024%0.239CC..Hα-helixtrans-64.6-37.4174.6-69.20000111.9W240 I244 L246 R363 C364 L365 E369 V370 A371 Y400W240-C367 HydrophobicContact CH2-CB 4.32Å; W240-C367 HydrophobicContact CZ2-CB 3.82Å; I244-C367 HydrophobicContact CD1-CB 3.68Å; L246-C367 HydrophobicContact CD1-CB 4.16Å; R363-C367 WeakPolarHBondContact O-CB 3.34Å; R363-C367 PolarHBondContact O-N 2.94Å; R363-C367 PolarHBondContact O-SG 3.42Å; C364-C367 PolarHBondContact O-N 2.81Å; L365-C367 VanDerWaalsContact C-N 3.33Å; L365-C367 PolarHBondContact O-N 2.93Å; C367-E369 VanDerWaalsContact C-N 3.35Å; C367-V370 PolarHBondContact O-N 3.26Å; C367-A371 WeakPolarHBondContact O-CB 3.13Å; C367-A371 PolarHBondContact O-N 3.49Å; C367-Y400 HydrophobicContact CB-CD1 3.73Å; C367-Y400 HydrophobicContact CB-CE1 4.13Å; C367-Y400 VanDerWaalsContact O-CE1 3.31Å; C367-Y400 WeakPolarHBondContact O-CE1 3.25Å
368M98.7Very high96.1Very high2 Ų243.8 Ų43.81%0.0122%0.222CC..Hα-helixtrans-63.3-40.1174.9-68.7-176.8-171.300111.8W240 F309 F310 F313 T314 W361 C364 L365 E366 A371 I372W240-M368 HydrophobicContact CH2-CG 3.71Å; W240-M368 HydrophobicContact CZ2-CG 4.47Å; W240-M368 HydrophobicContact CZ3-CG 4.49Å; F309-M368 HydrophobicContact CE1-CE 4.3Å; F309-M368 HydrophobicContact CZ-CE 4.46Å; F310-M368 HydrophobicContact CB-CB 4.1Å; F310-M368 HydrophobicContact CD1-CB 3.92Å; F310-M368 HydrophobicContact CD1-CG 3.57Å; F310-M368 HydrophobicContact CD1-SD 4.18Å; F310-M368 HydrophobicContact CE1-CG 4.17Å; F310-M368 HydrophobicContact CG-CB 4.28Å; F310-M368 HydrophobicContact CG-CG 4.4Å; F313-M368 HydrophobicContact CB-CE 4.37Å; F313-M368 HydrophobicContact CB-SD 3.61Å; F313-M368 HydrophobicContact CG-SD 4.37Å; T314-M368 HydrophobicContact CG2-CB 3.53Å; W361-M368 HydrophobicContact CH2-CE 4.39Å; C364-M368 VanDerWaalsContact O-CG 3.28Å; C364-M368 WeakPolarHBondContact O-CG 3.45Å; C364-M368 PolarHBondContact O-N 3.45Å; L365-M368 WeakPolarHBondContact O-CB 3.3Å; L365-M368 PolarHBondContact O-N 3.39Å; L365-M368 VanDerWaalsContact O-N 3.14Å; E366-M368 VanDerWaalsContact C-N 3.34Å; E366-M368 PolarHBondContact O-N 2.84Å; M368-A371 WeakPolarHBondContact O-CB 3.45Å; M368-A371 PolarHBondContact O-N 3.31Å; M368-I372 VanDerWaalsContact O-CG1 3.32Å; M368-I372 WeakPolarHBondContact O-CG1 3.36Å; M368-I372 PolarHBondContact O-N 3.39Å
369E98.5Very high94.8Very high69 Ų6944.7 Ų44.732%0.32222%0.221SC..Hα-helixtrans-62.9-41.6175-78.4-60.614600113T314 L365 E366 C367 K373T314-E369 WeakPolarHBondContact CB-OE1 3.2Å; T314-E369 HydrophobicContact CG2-CG 3.85Å; T314-E369 WeakPolarHBondContact CG2-OE1 3.47Å; T314-E369 PolarHBondContact OG1-OE1 2.98Å; L365-E369 PolarHBondContact O-N 2.86Å; E366-E369 PolarHBondContact O-N 2.98Å; C367-E369 VanDerWaalsContact C-N 3.35Å; E369-K373 WeakPolarHBondContact O-CG 3.44Å; E369-K373 PolarHBondContact O-N 3.48Å
370V98.2Very high93.4Very high37 Ų3746.6 Ų46.622%0.22423%0.226CC..Hα-helixtrans-62.7-45.8172.6172.70000110.6E366 C367 I372 K373 L374 N399 Y400E366-V370 WeakPolarHBondContact O-CG2 3.38Å; E366-V370 PolarHBondContact O-N 3.07Å; E366-V370 VanDerWaalsContact O-N 3.09Å; C367-V370 PolarHBondContact O-N 3.26Å; V370-I372 VanDerWaalsContact C-N 3.32Å; V370-I372 PolarHBondContact O-N 3.41Å; V370-K373 PolarHBondContact O-N 3.47Å; V370-K373 VanDerWaalsContact O-N 3.15Å; V370-L374 HydrophobicContact CG1-CD1 4.05Å; V370-L374 HydrophobicContact CG1-CG 4.28Å; V370-L374 WeakPolarHBondContact O-CG 3.43Å; V370-L374 PolarHBondContact O-N 3.03Å; V370-N399 WeakPolarHBondContact CG1-O 3.27Å; V370-Y400 HydrophobicContact CB-CD1 4.01Å; V370-Y400 HydrophobicContact CB-CE1 3.84Å; V370-Y400 HydrophobicContact CG1-CD1 3.9Å; V370-Y400 HydrophobicContact CG1-CE1 3.68Å
371A98.3Very high91.9Very high0 Ų051 Ų510%026%0.257CS..Hα-helixtrans-58.5-41.4179.700000112.7W240 F310 C367 M368 K373 L374 L375 L394 Y400W240-A371 HydrophobicContact CZ2-CB 4.27Å; F310-A371 HydrophobicContact CD2-CB 3.78Å; F310-A371 HydrophobicContact CE2-CB 3.55Å; F310-A371 HydrophobicContact CG-CB 4.36Å; F310-A371 HydrophobicContact CZ-CB 3.95Å; C367-A371 WeakPolarHBondContact O-CB 3.13Å; C367-A371 PolarHBondContact O-N 3.49Å; M368-A371 WeakPolarHBondContact O-CB 3.45Å; M368-A371 PolarHBondContact O-N 3.31Å; A371-K373 PolarHBondContact O-N 3.22Å; A371-L374 PolarHBondContact O-N 2.82Å; A371-L375 WeakPolarHBondContact O-CB 3.35Å; A371-L375 WeakPolarHBondContact O-CG 3.19Å; A371-L375 PolarHBondContact O-N 2.89Å; A371-L394 HydrophobicContact CB-CD1 3.53Å; A371-Y400 HydrophobicContact CB-CE1 4.44Å
372I98Very high90.7Very high8 Ų855.3 Ų55.34%0.04127%0.273CS..Hα-helixtrans-56-51.5174.4-68.9160000110.2I307 F310 R311 M368 V370 L374 L375 E376I307-I372 HydrophobicContact CG2-CG2 4.38Å; F310-I372 HydrophobicContact CB-CD1 3.78Å; F310-I372 HydrophobicContact CB-CG1 3.51Å; F310-I372 HydrophobicContact CD2-CG1 4.45Å; F310-I372 HydrophobicContact CG-CG1 4.42Å; R311-I372 HydrophobicContact CB-CD1 4.38Å; R311-I372 HydrophobicContact CG-CD1 3.6Å; R311-I372 HydrophobicContact CG-CG1 4.12Å; R311-I372 HydrophobicContact CG-CG2 4.49Å; M368-I372 VanDerWaalsContact O-CG1 3.32Å; M368-I372 WeakPolarHBondContact O-CG1 3.36Å; M368-I372 PolarHBondContact O-N 3.39Å; V370-I372 VanDerWaalsContact C-N 3.32Å; V370-I372 PolarHBondContact O-N 3.41Å; I372-L374 VanDerWaalsContact C-N 3.35Å; I372-L374 PolarHBondContact O-N 2.83Å; I372-L375 PolarHBondContact O-N 3.14Å; I372-E376 HydrophobicContact CG2-CG 4.32Å; I372-E376 WeakPolarHBondContact CG2-OE1 3.41Å; I372-E376 WeakPolarHBondContact O-CG 3.48Å; I372-E376 PolarHBondContact O-N 3.15Å
373K96.6Very high89.7Confident110 Ų11053 Ų5348%0.47827%0.266SS..Hα-helixtrans-61.4-40.5-178.8-66.2169.8-173.21700112.4E369 V370 A371 R377E369-K373 WeakPolarHBondContact O-CG 3.44Å; E369-K373 PolarHBondContact O-N 3.48Å; V370-K373 PolarHBondContact O-N 3.47Å; V370-K373 VanDerWaalsContact O-N 3.15Å; A371-K373 PolarHBondContact O-N 3.22Å; K373-R377 WeakPolarHBondContact O-CD 3.38Å; K373-R377 VanDerWaalsContact O-CG 3.25Å; K373-R377 WeakPolarHBondContact O-CG 3.47Å; K373-R377 PolarHBondContact O-N 3.43Å
374L95.7Very high88.4Confident17 Ų1759.2 Ų59.29%0.08930%0.301CS..Hα-helixtrans-65.3-42.1177.4-66.1178.3000111.9V370 A371 I372 S378 N399 Y400V370-L374 HydrophobicContact CG1-CD1 4.05Å; V370-L374 HydrophobicContact CG1-CG 4.28Å; V370-L374 WeakPolarHBondContact O-CG 3.43Å; V370-L374 PolarHBondContact O-N 3.03Å; A371-L374 PolarHBondContact O-N 2.82Å; I372-L374 VanDerWaalsContact C-N 3.35Å; I372-L374 PolarHBondContact O-N 2.83Å; L374-S378 PolarHBondContact O-N 2.93Å; L374-S378 PolarHBondContact O-OG 3.04Å; L374-N399 HydrophobicContact CD1-CB 4Å; L374-Y400 HydrophobicContact CD1-CE2 4.36Å
375L95.4Very high87Confident0 Ų063.6 Ų63.60%034%0.338CS..Hα-helixtrans-70-39.4179.6-72.6168.5000112.3V81 R303 L306 I307 F310 A371 I372 S378 L394V81-L375 HydrophobicContact CG1-CD2 4.2Å; R303-L375 PolarHBondContact NE-O 3.15Å; R303-L375 VanDerWaalsContact NE-O 3.11Å; R303-L375 PolarHBondContact NH2-O 2.74Å; L306-L375 HydrophobicContact CB-CD1 4.47Å; L306-L375 HydrophobicContact CD2-CD1 3.66Å; L306-L375 HydrophobicContact CD2-CD2 4.11Å; L306-L375 HydrophobicContact CG-CD1 3.76Å; I307-L375 HydrophobicContact CD1-CB 3.9Å; I307-L375 HydrophobicContact CG1-CB 3.7Å; I307-L375 HydrophobicContact CG1-CD1 3.82Å; I307-L375 HydrophobicContact CG1-CG 4.39Å; F310-L375 HydrophobicContact CD2-CD1 4.03Å; F310-L375 HydrophobicContact CE2-CD1 3.8Å; A371-L375 WeakPolarHBondContact O-CB 3.35Å; A371-L375 WeakPolarHBondContact O-CG 3.19Å; A371-L375 PolarHBondContact O-N 2.89Å; I372-L375 PolarHBondContact O-N 3.14Å; L375-S378 PolarHBondContact O-N 3.31Å; L375-L394 HydrophobicContact CD1-CD1 4.3Å; L375-L394 HydrophobicContact CD2-CD2 4.41Å; L375-L394 HydrophobicContact CG-CD1 4.19Å
376E93.9Very high85.6Confident77 Ų7766.5 Ų66.536%0.3637%0.373SS..Hα-helixtrans-64.2-39.5177.2-74.9174170.400112.6I307 R311 I372 S378 N379I307-E376 HydrophobicContact CD1-CG 4.48Å; R311-E376 IonicContact CZ-OE1 2.68Å; R311-E376 IonicContact NE-OE1 2.95Å; R311-E376 IonicContact NH2-OE1 3.86Å; R311-E376 PolarHBondContact NH2-OE1 2.87Å; I372-E376 HydrophobicContact CG2-CG 4.32Å; I372-E376 WeakPolarHBondContact CG2-OE1 3.41Å; I372-E376 WeakPolarHBondContact O-CG 3.48Å; I372-E376 PolarHBondContact O-N 3.15Å; E376-S378 VanDerWaalsContact C-N 3.26Å; E376-S378 PolarHBondContact O-N 2.68Å; E376-N379 WeakPolarHBondContact O-CB 3.27Å
377R89.9Confident84.4Confident200 Ų20066.2 Ų66.276%0.75538%0.377SS*.Hα-helixtrans-64.5-30175.9-72.1170.6-176.9-179.40.8113K373 N379K373-R377 WeakPolarHBondContact O-CD 3.38Å; K373-R377 VanDerWaalsContact O-CG 3.25Å; K373-R377 WeakPolarHBondContact O-CG 3.47Å; K373-R377 PolarHBondContact O-N 3.43Å; R377-N379 PolarHBondContact O-N 3.22Å
378S84.4Confident83.7Confident20 Ų2071.2 Ų71.214%0.1440%0.4CS..SBendtrans-82.337.6-177-56.60000112.9L374 L375 E376 S380 G390L374-S378 PolarHBondContact O-N 2.93Å; L374-S378 PolarHBondContact O-OG 3.04Å; L375-S378 PolarHBondContact O-N 3.31Å; E376-S378 VanDerWaalsContact C-N 3.26Å; E376-S378 PolarHBondContact O-N 2.68Å; S378-S380 PolarHBondContact O-N 3.26Å; S378-G390 PolarHBondContact OG-N 3.42Å
379N68.7Low83.3Confident100 Ų10071.8 Ų71.854%0.53540%0.402SS..  trans-67.8-23.6-152.3-144.14.7000116.6R303 E376 R377R303-N379 PolarHBondContact NH1-O 2.94Å; R303-N379 PolarHBondContact NH1-OD1 3.05Å; R303-N379 PolarHBondContact NH2-OD1 3.05Å; E376-N379 WeakPolarHBondContact O-CB 3.27Å; R377-N379 PolarHBondContact O-N 3.22Å
380S64.7Low83.1Confident95 Ų9568.5 Ų68.566%0.66439%0.387SS*.SBendtrans-158.1-17.9178.1-57.50000119.2S378S378-S380 PolarHBondContact O-N 3.26Å
381C64.9Low83Confident99 Ų9966.8 Ų66.867%0.66938%0.377SS*.SBendtrans-143151.9-174.8-66.50000113
382R72.6Confident82.8Confident98 Ų9867.6 Ų67.637%0.3738%0.381SS..PPolyproline II helixtrans-55.6125.3166.5173.8173.6167.7-179.4-1.5110R76 Q79 W389R76-R382 PolarHBondContact O-NH1 2.96Å; Q79-R382 PolarHBondContact O-N 3.25Å; R382-W389 HydrophobicContact CB-CH2 3.98Å; R382-W389 HydrophobicContact CB-CZ2 3.71Å; R382-W389 HydrophobicContact CG-CZ2 3.97Å
383P75.9Confident82.7Confident51 Ų5168 Ų6833%0.33139%0.385SS..PPolyproline II helixtrans-71.7171.417229.7-33.4000112T387 W389P383-T387 WeakPolarHBondContact CG-OG1 3.47Å; P383-W389 HydrophobicContact CG-CB 3.52Å; P383-W389 HydrophobicContact CG-CD2 4.39Å; P383-W389 HydrophobicContact CG-CG 3.69Å
384D69.9Low82.7Confident151 Ų15162.8 Ų62.881%0.80736%0.362SS*.SBendtrans-54.1155.7175.2-68.7-35.1000112.6G386D384-G386 PolarHBondContact O-N 3.46Å
385A68.2Low82.8Confident94 Ų9462.9 Ų62.978%0.77736%0.363SS*.THydrogen-bonded Turntrans-56.5129.1-170.600000113
386G68Low82.7Confident83 Ų8364.6 Ų64.686%0.85637%0.372SS*.THydrogen-bonded Turntrans117.9-19.516900000115.8D384D384-G386 PolarHBondContact O-N 3.46Å
387T73.3Confident82.8Confident80 Ų8064.2 Ų64.249%0.49138%0.376SS..  trans-87.1138.9179.554.50000112.5P383P383-T387 WeakPolarHBondContact CG-OG1 3.47Å
388Q83.5Confident83.1Confident104 Ų10459.1 Ų59.149%0.48637%0.371SS..  trans-66132.4162.9-67.3-174.45.100109.7L392 D396Q388-L392 HydrophobicContact CB-CB 4.33Å; Q388-L392 PolarHBondContact OE1-O 2.8Å; Q388-D396 PolarHBondContact NE2-OD2 3.37Å; Q388-D396 PolarHBondContact OE1-OD2 3.12Å
389W90.8Very high83.6Confident14 Ų1461.1 Ų61.15%0.05338%0.38CS..  trans-147.9157.9-175.573.7-81.7000111.4V78 V81 Q84 R382 P383 L391 L392V78-W389 WeakPolarHBondContact O-CH2 3.48Å; V78-W389 WeakPolarHBondContact O-CZ2 3.3Å; V81-W389 HydrophobicContact CG2-CZ3 4.42Å; Q84-W389 PolarHBondContact NE2-O 2.91Å; R382-W389 HydrophobicContact CB-CH2 3.98Å; R382-W389 HydrophobicContact CB-CZ2 3.71Å; R382-W389 HydrophobicContact CG-CZ2 3.97Å; P383-W389 HydrophobicContact CG-CB 3.52Å; P383-W389 HydrophobicContact CG-CD2 4.39Å; P383-W389 HydrophobicContact CG-CG 3.69Å; W389-L391 PolarHBondContact O-N 3.23Å; W389-L392 PolarHBondContact O-N 2.98Å; W389-L392 VanDerWaalsContact O-N 3.11Å
390G93.8Very high85Confident1 Ų157.1 Ų57.11%0.0136%0.358CS..THydrogen-bonded Turntrans58.1-129-179.700000111.9S378 L392 S393 L394S378-G390 PolarHBondContact OG-N 3.42Å; G390-L392 VanDerWaalsContact C-N 3.26Å; G390-L392 PolarHBondContact O-N 3.44Å; G390-S393 PolarHBondContact O-N 2.88Å; G390-L394 PolarHBondContact O-N 3.27Å
391L96Very high86.2Confident0 Ų054.9 Ų54.90%034%0.34CS..Hα-helixtrans-61-31.2177.7-65.5-165.2000113.1V81 Q84 I85 L88 V236 W389 S393 L394 L395V81-L391 HydrophobicContact CG1-CD2 4.13Å; V81-L391 HydrophobicContact CG1-CG 4.36Å; Q84-L391 HydrophobicContact CB-CB 4.21Å; Q84-L391 HydrophobicContact CB-CD1 3.77Å; Q84-L391 HydrophobicContact CB-CG 3.77Å; I85-L391 HydrophobicContact CB-CD1 4.48Å; I85-L391 HydrophobicContact CG1-CD1 3.81Å; I85-L391 HydrophobicContact CG1-CD2 4.04Å; I85-L391 HydrophobicContact CG1-CG 4.23Å; L88-L391 HydrophobicContact CB-CD1 4.36Å; L88-L391 HydrophobicContact CD1-CD1 3.88Å; V236-L391 HydrophobicContact CG1-CD1 4.4Å; V236-L391 HydrophobicContact CG1-CD2 3.83Å; V236-L391 HydrophobicContact CG2-CD1 4.34Å; W389-L391 PolarHBondContact O-N 3.23Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 2.95Å; L391-L394 HydrophobicContact CD2-CD2 3.71Å; L391-L394 WeakPolarHBondContact O-CB 3.42Å; L391-L394 PolarHBondContact O-N 2.92Å; L391-L395 VanDerWaalsContact O-CB 3.3Å; L391-L395 WeakPolarHBondContact O-CB 3.27Å; L391-L395 WeakPolarHBondContact O-CG 3.16Å; L391-L395 PolarHBondContact O-N 3.29Å
392L95.4Very high87.2Confident18 Ų1856.4 Ų56.49%0.09435%0.347CS..Hα-helixtrans-64.4-38.7179.2-67175.1000111.5E72 L75 R76 Q388 W389 G390 D396E72-L392 HydrophobicContact CB-CD2 4.42Å; E72-L392 HydrophobicContact CG-CD2 4.23Å; L75-L392 HydrophobicContact CB-CD2 4.04Å; L75-L392 HydrophobicContact CB-CG 4.21Å; L75-L392 HydrophobicContact CD1-CD2 4.23Å; R76-L392 HydrophobicContact CB-CD1 3.97Å; R76-L392 HydrophobicContact CG-CD1 4.37Å; Q388-L392 HydrophobicContact CB-CB 4.33Å; Q388-L392 PolarHBondContact OE1-O 2.8Å; W389-L392 PolarHBondContact O-N 2.98Å; W389-L392 VanDerWaalsContact O-N 3.11Å; G390-L392 VanDerWaalsContact C-N 3.26Å; G390-L392 PolarHBondContact O-N 3.44Å; L392-D396 PolarHBondContact O-N 3.34Å
393S95.1Very high87.2Confident16 Ų1653.6 Ų53.611%0.11235%0.345CS..Hα-helixtrans-72.2-38.7173173.40000111.8G390 L391 L395 D396 N399G390-S393 PolarHBondContact O-N 2.88Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 2.95Å; S393-L395 VanDerWaalsContact C-N 3.26Å; S393-L395 PolarHBondContact O-N 3.15Å; S393-D396 PolarHBondContact O-N 3.5Å; S393-N399 PolarHBondContact O-ND2 2.94Å; S393-N399 PolarHBondContact OG-ND2 3.4Å
394L96.8Very high86.5Confident0 Ų054.7 Ų54.70%035%0.353CS..Hα-helixtrans-60.3-35.9174.9-174.275.5000112.2V236 W240 L306 F310 A371 L375 G390 L391 Y400V236-L394 HydrophobicContact CG1-CD2 4.16Å; W240-L394 VanDerWaalsContact CD1-O 3.26Å; W240-L394 HydrophobicContact CG-CG 4.42Å; L306-L394 HydrophobicContact CD2-CD2 4.03Å; F310-L394 HydrophobicContact CE2-CD1 4.46Å; A371-L394 HydrophobicContact CB-CD1 3.53Å; L375-L394 HydrophobicContact CD1-CD1 4.3Å; L375-L394 HydrophobicContact CD2-CD2 4.41Å; L375-L394 HydrophobicContact CG-CD1 4.19Å; G390-L394 PolarHBondContact O-N 3.27Å; L391-L394 HydrophobicContact CD2-CD2 3.71Å; L391-L394 WeakPolarHBondContact O-CB 3.42Å; L391-L394 PolarHBondContact O-N 2.92Å; L394-Y400 WeakPolarHBondContact CD1-OH 3.23Å; L394-Y400 VanDerWaalsContact O-CE2 3.22Å; L394-Y400 WeakPolarHBondContact O-CE2 3.48Å; L394-Y400 PolarHBondContact O-OH 2.91Å
395L96.7Very high85.6Confident20 Ų2056.9 Ų56.911%0.10536%0.359CS..THydrogen-bonded Turntrans-88-8-176.7-64.9-179.4000113.3L88 R239 W240 E243 L391 S393 P397L88-L395 HydrophobicContact CD1-CD1 4.21Å; R239-L395 HydrophobicContact CB-CD2 4.23Å; R239-L395 HydrophobicContact CG-CD1 3.95Å; R239-L395 HydrophobicContact CG-CD2 3.85Å; W240-L395 HydrophobicContact CB-CD2 3.94Å; E243-L395 WeakPolarHBondContact CB-O 3.24Å; E243-L395 HydrophobicContact CG-CB 4.31Å; E243-L395 HydrophobicContact CG-CD2 4.23Å; L391-L395 VanDerWaalsContact O-CB 3.3Å; L391-L395 WeakPolarHBondContact O-CB 3.27Å; L391-L395 WeakPolarHBondContact O-CG 3.16Å; L391-L395 PolarHBondContact O-N 3.29Å; S393-L395 VanDerWaalsContact C-N 3.26Å; S393-L395 PolarHBondContact O-N 3.15Å; L395-P397 VanDerWaalsContact O-CD 3.3Å; L395-P397 WeakPolarHBondContact O-CD 3.48Å
396D95.2Very high84.7Confident36 Ų3659.2 Ų59.219%0.19336%0.358CS..  trans-79.6115.4-179.5-173.2-24.5000111Q388 L392 S393 S398 N399 Y400Q388-D396 PolarHBondContact NE2-OD2 3.37Å; Q388-D396 PolarHBondContact OE1-OD2 3.12Å; L392-D396 PolarHBondContact O-N 3.34Å; S393-D396 PolarHBondContact O-N 3.5Å; D396-S398 PolarHBondContact O-N 2.96Å; D396-S398 VanDerWaalsContact O-N 3.16Å; D396-S398 VanDerWaalsContact OD1-CB 3.26Å; D396-S398 WeakPolarHBondContact OD1-CB 3.25Å; D396-S398 PolarHBondContact OD1-N 3.46Å; D396-S398 PolarHBondContact OD1-OG 3.3Å; D396-S398 PolarHBondContact OD2-OG 3.04Å; D396-N399 PolarHBondContact O-N 2.87Å; D396-Y400 VanDerWaalsContact O-CD2 3.31Å; D396-Y400 WeakPolarHBondContact O-CD2 3.28Å
397P95.6Very high83.8Confident68 Ų6855.8 Ų55.844%0.44232%0.322SS..G310 helixtrans-60.8-24.5-179.2-22.635.8000114E243 L395 N399 Y400E243-P397 VanDerWaalsContact O-CG 3.24Å; E243-P397 WeakPolarHBondContact O-CG 3.4Å; L395-P397 VanDerWaalsContact O-CD 3.3Å; L395-P397 WeakPolarHBondContact O-CD 3.48Å; P397-N399 PolarHBondContact O-N 2.73Å; P397-Y400 PolarHBondContact O-N 3.24Å; P397-Y400 VanDerWaalsContact O-N 3.09Å
398S95.1Very high82.3Confident93 Ų9358.2 Ų58.265%0.6533%0.332SS*.G310 helixtrans-65.8-18.8179.868.60000113.6D396 Y400D396-S398 PolarHBondContact O-N 2.96Å; D396-S398 VanDerWaalsContact O-N 3.16Å; D396-S398 VanDerWaalsContact OD1-CB 3.26Å; D396-S398 WeakPolarHBondContact OD1-CB 3.25Å; D396-S398 PolarHBondContact OD1-N 3.46Å; D396-S398 PolarHBondContact OD1-OG 3.3Å; D396-S398 PolarHBondContact OD2-OG 3.04Å; S398-Y400 VanDerWaalsContact C-N 3.27Å; S398-Y400 PolarHBondContact O-N 3.47Å
399N95.7Very high80.4Confident62 Ų6258.6 Ų58.633%0.33234%0.341SS..G310 helixtrans-78.6-9.8175.3-70.1-46.2000113.3V370 L374 S393 D396 P397V370-N399 WeakPolarHBondContact CG1-O 3.27Å; L374-N399 HydrophobicContact CD1-CB 4Å; S393-N399 PolarHBondContact O-ND2 2.94Å; S393-N399 PolarHBondContact OG-ND2 3.4Å; D396-N399 PolarHBondContact O-N 2.87Å; P397-N399 PolarHBondContact O-N 2.73Å
400Y97.1Very high77.9Confident17 Ų1765.6 Ų65.67%0.06737%0.374CS..SBendtrans-115.4154.8-168.7-66.6-84.5000112.9W240 I244 C367 V370 A371 L374 L394 D396 P397 S398 T402W240-Y400 HydrophobicContact CZ2-CE1 4.41Å; W240-Y400 AromaticContact NE1-CE1 3.64Å; W240-Y400 AromaticContact NE1-CZ 3.34Å; W240-Y400 VanDerWaalsContact NE1-CZ 3.34Å; W240-Y400 PolarHBondContact NE1-OH 2.73Å; I244-Y400 HydrophobicContact CB-CD2 4.13Å; I244-Y400 HydrophobicContact CB-CG 4.3Å; I244-Y400 HydrophobicContact CD1-CD1 3.89Å; I244-Y400 HydrophobicContact CD1-CD2 4.45Å; I244-Y400 HydrophobicContact CD1-CE1 4.12Å; I244-Y400 HydrophobicContact CD1-CG 4.06Å; I244-Y400 HydrophobicContact CG2-CD2 3.42Å; I244-Y400 VanDerWaalsContact CG2-CD2 3.42Å; I244-Y400 HydrophobicContact CG2-CE2 3.56Å; I244-Y400 HydrophobicContact CG2-CG 4.06Å; C367-Y400 HydrophobicContact CB-CD1 3.73Å; C367-Y400 HydrophobicContact CB-CE1 4.13Å; C367-Y400 VanDerWaalsContact O-CE1 3.31Å; C367-Y400 WeakPolarHBondContact O-CE1 3.25Å; V370-Y400 HydrophobicContact CB-CD1 4.01Å; V370-Y400 HydrophobicContact CB-CE1 3.84Å; V370-Y400 HydrophobicContact CG1-CD1 3.9Å; V370-Y400 HydrophobicContact CG1-CE1 3.68Å; A371-Y400 HydrophobicContact CB-CE1 4.44Å; L374-Y400 HydrophobicContact CD1-CE2 4.36Å; L394-Y400 WeakPolarHBondContact CD1-OH 3.23Å; L394-Y400 VanDerWaalsContact O-CE2 3.22Å; L394-Y400 WeakPolarHBondContact O-CE2 3.48Å; L394-Y400 PolarHBondContact O-OH 2.91Å; D396-Y400 VanDerWaalsContact O-CD2 3.31Å; D396-Y400 WeakPolarHBondContact O-CD2 3.28Å; P397-Y400 PolarHBondContact O-N 3.24Å; P397-Y400 VanDerWaalsContact O-N 3.09Å; S398-Y400 VanDerWaalsContact C-N 3.27Å; S398-Y400 PolarHBondContact O-N 3.47Å; Y400-T402 PolarHBondContact O-N 3.47Å
401P91.6Very high75.4Confident47 Ų4774.3 Ų74.331%0.30541%0.408SS..PPolyproline II helixtrans-61.1132.5171.725.9-33.7000111.1R363 E366R363-P401 PolarHBondContact NE-O 3.27Å; E366-P401 HydrophobicContact CB-CG 4.31Å
402T85Confident72.3Confident132 Ų13277.2 Ų77.281%0.8144%0.438SS*.PPolyproline II helixtrans-62.3147.5176.337.80000111.7Y400Y400-T402 PolarHBondContact O-N 3.47Å
403A72.8Confident69.3Low39 Ų3979.8 Ų79.832%0.32246%0.462SS..PPolyproline II helixtrans-60.8149.2173.100000111.2
404S62Low66.1Low73 Ų7386.1 Ų86.151%0.5149%0.49SS..PPolyproline II helixtrans-64.2140171.978.40000109.9N406 A407S404-N406 PolarHBondContact O-N 3.38Å; S404-A407 WeakPolarHBondContact O-CB 3.4Å; S404-A407 PolarHBondContact O-N 3.14Å
405Q50.9Low62.8Low197 Ų19791.2 Ų91.292%0.92153%0.525SS*.THydrogen-bonded Turntrans-64.4-11.1-175.1-70.8-179.5-700114.2A407Q405-A407 VanDerWaalsContact C-N 3.32Å; Q405-A407 PolarHBondContact O-N 3.41Å
406N48.1Very low59.7Low144 Ų14498.8 Ų98.877%0.7756%0.558SS**THydrogen-bonded Turntrans-87.96.8-177.9-70.9-13.6000114S404 D408S404-N406 PolarHBondContact O-N 3.38Å; N406-D408 PolarHBondContact O-N 2.95Å
407A49.2Very low56.6Low10 Ų10102 Ų1028%0.08358%0.583CS.*  trans-86.95.9-167.100000116.1R248 W254 S404 Q405R248-A407 PolarHBondContact NH1-O 3.07Å; W254-A407 WeakPolarHBondContact CZ3-O 3.4Å; S404-A407 WeakPolarHBondContact O-CB 3.4Å; S404-A407 PolarHBondContact O-N 3.14Å; Q405-A407 VanDerWaalsContact C-N 3.32Å; Q405-A407 PolarHBondContact O-N 3.41Å
408D42.2Very low53.8Low131 Ų131106.1 Ų106.170%0.70160%0.602SS**  trans-106.130.9-177.6-67.3-17.2000113.4R248 N406 E410R248-D408 IonicContact CZ-OD1 3.46Å; R248-D408 IonicContact NH1-OD1 3.53Å; R248-D408 PolarHBondContact NH1-OD1 2.9Å; R248-D408 IonicContact NH2-OD1 3.34Å; N406-D408 PolarHBondContact O-N 2.95Å; D408-E410 PolarHBondContact O-N 3.42Å
409V43.9Very low51Low112 Ų112105.5 Ų105.568%0.67960%0.595SS**  trans-80.7101.7170.9-173.90000109.1Y411V409-Y411 PolarHBondContact O-N 3.01Å
410E38.7Very low48.2Very low161 Ų161105.9 Ų105.975%0.75260%0.597SS**  trans-65.7120.2173.9-169.1172.7-16500110.1D408 G412D408-E410 PolarHBondContact O-N 3.42Å; E410-G412 VanDerWaalsContact C-N 3.3Å; E410-G412 PolarHBondContact O-N 2.98Å
411Y39.9Very low45.7Very low184 Ų184111.9 Ų111.972%0.72262%0.623SS**  trans-72.792.4164.1-91.2-84.8000108V409 A413V409-Y411 PolarHBondContact O-N 3.01Å; Y411-A413 PolarHBondContact O-N 3.41Å
412G32.3Very low43.3Very low61 Ų61111.3 Ų111.363%0.62962%0.618SS**  trans-54.7120.417900000111.7E410 E414E410-G412 VanDerWaalsContact C-N 3.3Å; E410-G412 PolarHBondContact O-N 2.98Å; G412-E414 PolarHBondContact O-N 3.02Å
413A31.9Very low41.6Very low72 Ų72110.8 Ų110.860%0.59561%0.609SS**  trans-74.2104.1161.500000107.4I185 Y411 S415I185-A413 HydrophobicContact CG2-CB 4.32Å; Y411-A413 PolarHBondContact O-N 3.41Å; A413-S415 PolarHBondContact O-N 3.01Å
414E27Very low40.3Very low149 Ų149114.5 Ų114.570%0.69662%0.62SS**  trans-57.8107.2173.5-69.5-178.6167.900110.1G412 F416G412-E414 PolarHBondContact O-N 3.02Å; E414-F416 HydrophobicContact CB-CD2 4.42Å; E414-F416 HydrophobicContact CB-CE2 4.44Å; E414-F416 PolarHBondContact O-N 3.21Å
415S27.1Very low39.4Very low107 Ų107113.6 Ų113.675%0.74861%0.61SS**  trans-89.394.8170.471.40000109.3A413 S417A413-S415 PolarHBondContact O-N 3.01Å; S415-S417 PolarHBondContact O-N 2.85Å
416F31.6Very low38.9Very low179 Ų179110.2 Ų110.279%0.78560%0.597SS**  trans-88.5100.4159.2-78.2-82.7000107.9E414 D418E414-F416 HydrophobicContact CB-CD2 4.42Å; E414-F416 HydrophobicContact CB-CE2 4.44Å; E414-F416 PolarHBondContact O-N 3.21Å; F416-D418 PolarHBondContact O-N 2.92Å
417S30.6Very low38.5Very low104 Ų104107.5 Ų107.573%0.72759%0.589SS**  trans-80.1107.3170.754.40000109.1S415S415-S417 PolarHBondContact O-N 2.85Å
418D36.4Very low37.8Very low155 Ų155113.4 Ų113.483%0.82962%0.624SS**  trans-120.894.7146.3-138.9-4.5000106.7F416 L420F416-D418 PolarHBondContact O-N 2.92Å; D418-L420 PolarHBondContact O-N 3.35Å; D418-L420 VanDerWaalsContact O-N 3.15Å
419P37.7Very low37.5Very low79 Ų79109.7 Ų109.751%0.51362%0.617SS.*  trans-68.6114.5-178.125.3-28.9000108.7K421P419-K421 PolarHBondContact O-N 3.38Å
420L36.6Very low36.9Very low70 Ų70110.7 Ų110.737%0.36662%0.624SS.*  trans-48.8111.4159.8-88.1149.6000107.6D418 L422D418-L420 PolarHBondContact O-N 3.35Å; D418-L420 VanDerWaalsContact O-N 3.15Å; L420-L422 PolarHBondContact O-N 2.71Å
421K43.4Very low36.6Very low144 Ų144112.7 Ų112.763%0.62663%0.633SS**  trans-62.9132.3178.4-70.9-175.2178.7-179.60108P419 D423 Q424P419-K421 PolarHBondContact O-N 3.38Å; K421-D423 PolarHBondContact O-N 3.42Å; K421-Q424 WeakPolarHBondContact O-CB 3.34Å; K421-Q424 PolarHBondContact O-N 2.94Å
422L41.6Very low36.2Very low35 Ų35115.2 Ų115.218%0.18364%0.641CS.*Hα-helixtrans-48.4-35-179.3-176.373.2000113V171 F175 L420 Q424 L425 L426V171-L422 HydrophobicContact CG2-CD1 3.84Å; F175-L422 HydrophobicContact CE2-CD1 4.23Å; F175-L422 HydrophobicContact CE2-CD2 3.38Å; F175-L422 HydrophobicContact CE2-CG 4.45Å; F175-L422 HydrophobicContact CZ-CD2 3.45Å; F175-L422 VanDerWaalsContact CZ-CD2 3.45Å; L420-L422 PolarHBondContact O-N 2.71Å; L422-Q424 PolarHBondContact O-N 3.41Å; L422-L425 WeakPolarHBondContact O-CB 3.11Å; L422-L425 PolarHBondContact O-N 3.41Å; L422-L426 HydrophobicContact CG-CD1 4.32Å; L422-L426 PolarHBondContact O-N 3.27Å
423D49.1Very low36.2Very low120 Ų120117.2 Ų117.264%0.64265%0.646SS**Hα-helixtrans-59-28.7177.2-55.8-28.8000113.3K421K421-D423 PolarHBondContact O-N 3.42Å
424Q46.6Very low36.1Very low118 Ų118120.2 Ų120.255%0.55166%0.657SS**Hα-helixtrans-77.8-20.6177.4-62179.9-6.200112.8K421 L422 S427K421-Q424 WeakPolarHBondContact O-CB 3.34Å; K421-Q424 PolarHBondContact O-N 2.94Å; L422-Q424 PolarHBondContact O-N 3.41Å; Q424-S427 PolarHBondContact O-OG 3.23Å
425L41.7Very low36.2Very low54 Ų54119.8 Ų119.828%0.28366%0.659SS.*Hα-helixtrans-83.2-34.6174.9-74.5162.1000111.4A167 L422 S427 T428A167-L425 HydrophobicContact CB-CD1 3.59Å; A167-L425 HydrophobicContact CB-CD2 4.01Å; A167-L425 HydrophobicContact CB-CG 4.49Å; L422-L425 WeakPolarHBondContact O-CB 3.11Å; L422-L425 PolarHBondContact O-N 3.41Å; L425-S427 VanDerWaalsContact C-N 3.29Å; L425-S427 PolarHBondContact O-N 3.36Å; L425-T428 PolarHBondContact O-OG1 3.01Å
426L41.1Very low36.3Very low125 Ų125123.2 Ų123.265%0.65466%0.664SS**Hα-helixtrans-77.3-10.9-179.3-64.9175.2000113.6L422 T428L422-L426 HydrophobicContact CG-CD1 4.32Å; L422-L426 PolarHBondContact O-N 3.27Å; L426-T428 VanDerWaalsContact C-N 3.3Å; L426-T428 PolarHBondContact O-N 3.44Å
427S39.5Very low36.2Very low87 Ų87120.7 Ų120.761%0.60866%0.663SS**THydrogen-bonded Turntrans-8610-179.763.70000114.9Q424 L425 G429Q424-S427 PolarHBondContact O-OG 3.23Å; L425-S427 VanDerWaalsContact C-N 3.29Å; L425-S427 PolarHBondContact O-N 3.36Å; S427-G429 PolarHBondContact O-N 2.94Å
428T34.3Very low36.1Very low134 Ų134122.5 Ų122.582%0.82266%0.662SS**  trans-81.362.8170.254.30000111.1L425 L426L425-T428 PolarHBondContact O-OG1 3.01Å; L426-T428 VanDerWaalsContact C-N 3.3Å; L426-T428 PolarHBondContact O-N 3.44Å
429G35.7Very low35.9Very low53 Ų53128 Ų12855%0.54668%0.679SS.*SBendtrans-154.684.3-179.200000112.1S427S427-G429 PolarHBondContact O-N 2.94Å
430T32.2Very low35.8Very low134 Ų134130.5 Ų130.582%0.82269%0.688SS**  trans54.193.6150.147.60000119.4
431E32.7Very low35.8Very low202 Ų202133.7 Ų133.794%0.94471%0.705SS**  -121.675.7129.5-76.9-172.6178.900107.8
432R30.3Very low35.4Very low237 Ų237133.1 Ų133.189%0.89471%0.709SS**  trans-102.1109.4155.7-84.2-171.2177.4-175.8-0.5106T434R432-T434 PolarHBondContact O-N 3.3Å
433S32.2Very low35Very low104 Ų104138.9 Ų138.973%0.72774%0.74SS**  trans-40122.5176.253.10000111.1D435S433-D435 PolarHBondContact O-N 2.95Å
434T30.8Very low34.1Very low134 Ų134140.1 Ų140.182%0.82275%0.746SS**  trans-60.590.4153.143.10000107.4R432R432-T434 PolarHBondContact O-N 3.3Å
435D28.8Very low33.3Very low141 Ų141141.5 Ų141.575%0.75476%0.759SS**  trans-160.4130.7157.5-90.9-32.2000108.5S433S433-D435 PolarHBondContact O-N 2.95Å
436E28.6Very low32.7Very low179 Ų179147.8 Ų147.884%0.83679%0.793SS**  trans78.8104.7167.3-52.3-169.8156.900118.2
437V31.1Very low32Very low126 Ų126149.5 Ų149.576%0.76480%0.804SS**  134.8127.9119.9175.50000111.1
438I27.1Very low31.4Very low141 Ų141154.8 Ų154.872%0.72382%0.82SS**  cis-162.4151.6-13.6-99.2170.8000103
439K33Very low31.1Very low272 Ų272156.6 Ų156.6100%1.18382%0.82SS**  trans6.90158.8-71.9178.6175.6176.90119.4

Retrieved 439 of 439 residues in 85.6 ms (Link to these results)

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