A0A077Z391_TRITR Loading...

3-dehydrosphinganine reductase

AlphaFold DB , UniProt , Accession A0A077Z391, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 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
1M60.6Low79.3Confident162 Ų16290.7 Ų90.780%0.79850%0.497SS*.  0126.70-166.3179.6-164.100107.6G5 F6 T9 V10M1-G5 WeakPolarHBondContact CE-O 3.37Å; M1-F6 HydrophobicContact CE-CB 4.47Å; M1-F6 HydrophobicContact CG-CB 4.47Å; M1-F6 HydrophobicContact SD-CB 4Å; M1-F6 HydrophobicContact SD-CD2 4.16Å; M1-T9 HydrophobicContact CE-CG2 4.49Å; M1-T9 WeakPolarHBondContact CE-OG1 3.41Å; M1-V10 HydrophobicContact CE-CG2 4.26Å
2S86.3Confident79.7Confident74 Ų7491.4 Ų91.452%0.51750%0.499SS..  trans-62.7150.1175.41720000109.9Y4 G5 F6S2-Y4 PolarHBondContact O-N 3.19Å; S2-Y4 PolarHBondContact OG-N 3Å; S2-G5 WeakPolarHBondContact O-CA 2.86Å; S2-G5 PolarHBondContact O-N 2.89Å; S2-F6 PolarHBondContact O-N 2.93Å
3I83.1Confident79.9Confident120 Ų12088.2 Ų88.262%0.61549%0.485SS*.Hα-helixtrans-52.1-38.4173.5-168.6165.7000111.3F6 I7I3-F6 PolarHBondContact O-N 3.41Å; I3-I7 HydrophobicContact CG1-CD1 4.08Å; I3-I7 VanDerWaalsContact O-CG1 3.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.43Å; I3-I7 PolarHBondContact O-N 3.35Å
4Y81.6Confident80.2Confident182 Ų18287.1 Ų87.171%0.71449%0.486SS*.Hα-helixtrans-65.5-39.1174.6-63.6-73.8000112.6S2 A8S2-Y4 PolarHBondContact O-N 3.19Å; S2-Y4 PolarHBondContact OG-N 3Å; Y4-A8 VanDerWaalsContact O-CB 3.24Å; Y4-A8 WeakPolarHBondContact O-CB 3.24Å; Y4-A8 PolarHBondContact O-N 2.96Å
5G80.8Confident80.3Confident23 Ų2387.8 Ų87.824%0.23749%0.487CS..Hα-helixtrans-63.6-45.1174.900000111.4M1 S2 A8 T9M1-G5 WeakPolarHBondContact CE-O 3.37Å; S2-G5 WeakPolarHBondContact O-CA 2.86Å; S2-G5 PolarHBondContact O-N 2.89Å; G5-A8 PolarHBondContact O-N 3.01Å; G5-T9 WeakPolarHBondContact O-CG2 3.46Å; G5-T9 PolarHBondContact O-N 3.38Å; G5-T9 PolarHBondContact O-OG1 3.2Å
6F81.2Confident80.5Confident111 Ų11188.4 Ų88.449%0.48749%0.488SS..Hα-helixtrans-63-45.1177.6-179.5-96.6000112.2M1 S2 I3 V10 A11M1-F6 HydrophobicContact CE-CB 4.47Å; M1-F6 HydrophobicContact CG-CB 4.47Å; M1-F6 HydrophobicContact SD-CB 4Å; M1-F6 HydrophobicContact SD-CD2 4.16Å; S2-F6 PolarHBondContact O-N 2.93Å; I3-F6 PolarHBondContact O-N 3.41Å; F6-V10 HydrophobicContact CD2-CB 4.22Å; F6-V10 HydrophobicContact CD2-CG2 4.08Å; F6-V10 HydrophobicContact CE2-CB 4.09Å; F6-V10 HydrophobicContact CE2-CG1 4.11Å; F6-V10 HydrophobicContact CE2-CG2 4.2Å; F6-V10 HydrophobicContact CZ-CB 4.47Å; F6-V10 HydrophobicContact CZ-CG1 4.32Å; F6-V10 WeakPolarHBondContact O-CB 3.27Å; F6-V10 PolarHBondContact O-N 2.97Å; F6-A11 PolarHBondContact O-N 2.96Å
7I77.5Confident80.9Confident90 Ų9090.2 Ų90.246%0.46250%0.496SS..Iπ-helixtrans-60.8-47.5177-68.3166.2000110.6I3 A11 L12I3-I7 HydrophobicContact CG1-CD1 4.08Å; I3-I7 VanDerWaalsContact O-CG1 3.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.43Å; I3-I7 PolarHBondContact O-N 3.35Å; I7-A11 PolarHBondContact O-N 3.24Å; I7-L12 PolarHBondContact O-N 2.96Å
8A76.9Confident80.9Confident56 Ų5688.6 Ų88.646%0.46350%0.497SS..Iπ-helixtrans-70.9-38.8-174.700000113.5Y4 G5 P13Y4-A8 VanDerWaalsContact O-CB 3.24Å; Y4-A8 WeakPolarHBondContact O-CB 3.24Å; Y4-A8 PolarHBondContact O-N 2.96Å; G5-A8 PolarHBondContact O-N 3.01Å; A8-P13 WeakPolarHBondContact O-CD 3.4Å
9T83.2Confident80.8Confident88 Ų8887.3 Ų87.354%0.5449%0.488SS..Iπ-helixtrans-100.5-16.6-172.271.90000114.3M1 G5M1-T9 HydrophobicContact CE-CG2 4.49Å; M1-T9 WeakPolarHBondContact CE-OG1 3.41Å; G5-T9 WeakPolarHBondContact O-CG2 3.46Å; G5-T9 PolarHBondContact O-N 3.38Å; G5-T9 PolarHBondContact O-OG1 3.2Å
10V80.5Confident80.9Confident58 Ų5886.8 Ų86.835%0.35249%0.487SS..Iπ-helixtrans-118.4-58.6-178.7-173.60000110.6M1 F6 P13 C14M1-V10 HydrophobicContact CE-CG2 4.26Å; F6-V10 HydrophobicContact CD2-CB 4.22Å; F6-V10 HydrophobicContact CD2-CG2 4.08Å; F6-V10 HydrophobicContact CE2-CB 4.09Å; F6-V10 HydrophobicContact CE2-CG1 4.11Å; F6-V10 HydrophobicContact CE2-CG2 4.2Å; F6-V10 HydrophobicContact CZ-CB 4.47Å; F6-V10 HydrophobicContact CZ-CG1 4.32Å; F6-V10 WeakPolarHBondContact O-CB 3.27Å; F6-V10 PolarHBondContact O-N 2.97Å; V10-P13 WeakPolarHBondContact O-CD 3.27Å; V10-C14 WeakPolarHBondContact O-CB 3.36Å; V10-C14 PolarHBondContact O-N 3.46Å; V10-C14 VanDerWaalsContact O-N 3.11Å; V10-C14 PolarHBondContact O-SG 3.35Å
11A81.3Confident80.9Confident34 Ų3485.3 Ų85.328%0.28149%0.485SS..Iπ-helixtrans-66-49.6-172.300000112.6F6 I7 C14 I15F6-A11 PolarHBondContact O-N 2.96Å; I7-A11 PolarHBondContact O-N 3.24Å; A11-C14 PolarHBondContact O-N 3.34Å; A11-I15 VanDerWaalsContact O-CG1 3.29Å; A11-I15 WeakPolarHBondContact O-CG1 3.3Å; A11-I15 PolarHBondContact O-N 2.84Å
12L83.3Confident81.7Confident99 Ų9982.5 Ų82.552%0.51847%0.467SS..Hα-helixtrans-64.8-45.8-177.3-170.474.8000112.7I7 C14 I15 L16I7-L12 PolarHBondContact O-N 2.96Å; L12-C14 PolarHBondContact O-N 3.11Å; L12-I15 PolarHBondContact O-N 2.96Å; L12-L16 HydrophobicContact CG-CD1 4.22Å; L12-L16 WeakPolarHBondContact O-CG 3.38Å; L12-L16 PolarHBondContact O-N 3.39Å
13P83.2Confident81.2Confident50 Ų5082.2 Ų82.233%0.32546%0.459SS..Hα-helixtrans-61.6-39.4173.7-2637.3000113.3A8 V10 L16 L17A8-P13 WeakPolarHBondContact O-CD 3.4Å; V10-P13 WeakPolarHBondContact O-CD 3.27Å; P13-L16 PolarHBondContact O-N 3.33Å; P13-L17 WeakPolarHBondContact O-CB 3.34Å; P13-L17 VanDerWaalsContact O-CG 3.27Å; P13-L17 WeakPolarHBondContact O-CG 3.19Å; P13-L17 PolarHBondContact O-N 2.98Å
14C83.6Confident80.9Confident73 Ų7381.2 Ų81.249%0.49345%0.454SS..Hα-helixtrans-63.5-41.7176.4-73.90000112.3V10 A11 L12 L17 A18V10-C14 WeakPolarHBondContact O-CB 3.36Å; V10-C14 PolarHBondContact O-N 3.46Å; V10-C14 VanDerWaalsContact O-N 3.11Å; V10-C14 PolarHBondContact O-SG 3.35Å; A11-C14 PolarHBondContact O-N 3.34Å; L12-C14 PolarHBondContact O-N 3.11Å; C14-L17 PolarHBondContact O-N 3.49Å; C14-A18 WeakPolarHBondContact O-CB 3.39Å; C14-A18 PolarHBondContact O-N 3.47Å
15I82.4Confident80.5Confident97 Ų9776.4 Ų76.450%0.49745%0.452SS..Hα-helixtrans-63.5-46.4175.3-68.1165000110.2A11 L12 L17 A18 I19A11-I15 VanDerWaalsContact O-CG1 3.29Å; A11-I15 WeakPolarHBondContact O-CG1 3.3Å; A11-I15 PolarHBondContact O-N 2.84Å; L12-I15 PolarHBondContact O-N 2.96Å; I15-L17 PolarHBondContact O-N 3.24Å; I15-A18 PolarHBondContact O-N 2.8Å; I15-I19 HydrophobicContact CG2-CD1 3.84Å; I15-I19 HydrophobicContact CG2-CG1 4.48Å; I15-I19 VanDerWaalsContact O-CG1 3.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.29Å; I15-I19 PolarHBondContact O-N 3.42Å
16L83.6Confident80Confident98 Ų9877.2 Ų77.251%0.51345%0.451SS..Hα-helixtrans-60.9-44.1177.3-75.1166.3000111.9L12 P13 A18 I19 V20L12-L16 HydrophobicContact CG-CD1 4.22Å; L12-L16 WeakPolarHBondContact O-CG 3.38Å; L12-L16 PolarHBondContact O-N 3.39Å; P13-L16 PolarHBondContact O-N 3.33Å; L16-A18 VanDerWaalsContact C-N 3.35Å; L16-A18 PolarHBondContact O-N 3.46Å; L16-I19 PolarHBondContact O-N 2.83Å; L16-V20 WeakPolarHBondContact O-CB 3.4Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 2.92Å
17L85.9Confident78.9Confident118 Ų11882 Ų8262%0.61847%0.466SS*.Hα-helixtrans-62.6-40.5175.8-75.7170.6000111.8P13 C14 I15 V20 A21P13-L17 WeakPolarHBondContact O-CB 3.34Å; P13-L17 VanDerWaalsContact O-CG 3.27Å; P13-L17 WeakPolarHBondContact O-CG 3.19Å; P13-L17 PolarHBondContact O-N 2.98Å; C14-L17 PolarHBondContact O-N 3.49Å; I15-L17 PolarHBondContact O-N 3.24Å; L17-V20 PolarHBondContact O-N 3.44Å; L17-A21 WeakPolarHBondContact O-CB 3.3Å; L17-A21 PolarHBondContact O-N 3.29Å
18A81.7Confident78.2Confident62 Ų6284.6 Ų84.651%0.51247%0.474SS..Hα-helixtrans-64.1-41.8175.500000111.9C14 I15 L16 A21 Y22C14-A18 WeakPolarHBondContact O-CB 3.39Å; C14-A18 PolarHBondContact O-N 3.47Å; I15-A18 PolarHBondContact O-N 2.8Å; L16-A18 VanDerWaalsContact C-N 3.35Å; L16-A18 PolarHBondContact O-N 3.46Å; A18-A21 PolarHBondContact O-N 2.92Å; A18-Y22 VanDerWaalsContact O-CB 3.32Å; A18-Y22 WeakPolarHBondContact O-CB 2.96Å; A18-Y22 PolarHBondContact O-N 3.27Å
19I78.6Confident77.9Confident64 Ų6487.6 Ų87.633%0.32847%0.473SS..Hα-helixtrans-63.3-47.3175.2-68.2166.4000110.5I15 L16 Y22 I23I15-I19 HydrophobicContact CG2-CD1 3.84Å; I15-I19 HydrophobicContact CG2-CG1 4.48Å; I15-I19 VanDerWaalsContact O-CG1 3.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.29Å; I15-I19 PolarHBondContact O-N 3.42Å; L16-I19 PolarHBondContact O-N 2.83Å; I19-Y22 WeakPolarHBondContact O-CB 3.33Å; I19-Y22 PolarHBondContact O-N 2.84Å; I19-I23 HydrophobicContact CG2-CD1 3.77Å; I19-I23 HydrophobicContact CG2-CG1 4.46Å; I19-I23 VanDerWaalsContact O-CG1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.21Å; I19-I23 PolarHBondContact O-N 3.18Å
20V82.6Confident77.8Confident76 Ų7684.1 Ų84.146%0.46145%0.452SS..Hα-helixtrans-63.1-45.1178.1171.10000110.6L16 L17 Y22 I23 L24L16-V20 WeakPolarHBondContact O-CB 3.4Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 2.92Å; L17-V20 PolarHBondContact O-N 3.44Å; V20-Y22 VanDerWaalsContact C-N 3.33Å; V20-Y22 PolarHBondContact O-N 2.92Å; V20-I23 PolarHBondContact O-N 3.22Å; V20-L24 HydrophobicContact CG1-CD1 3.71Å; V20-L24 HydrophobicContact CG1-CG 4.13Å; V20-L24 WeakPolarHBondContact O-CB 3.5Å; V20-L24 WeakPolarHBondContact O-CG 3.19Å; V20-L24 PolarHBondContact O-N 3.37Å
21A81.4Confident78.2Confident56 Ų5687.2 Ų87.246%0.46346%0.463SS..Hα-helixtrans-60.2-42.5176.700000111.7L17 A18 L24 A25L17-A21 WeakPolarHBondContact O-CB 3.3Å; L17-A21 PolarHBondContact O-N 3.29Å; A18-A21 PolarHBondContact O-N 2.92Å; A21-L24 PolarHBondContact O-N 2.86Å; A21-A25 WeakPolarHBondContact O-CB 3.25Å; A21-A25 PolarHBondContact O-N 3.43Å
22Y77.8Confident78.7Confident103 Ų10389 Ų8940%0.40447%0.472SS..Hα-helixtrans-60.2-50.2174172.9-98.9000111.9A18 I19 V20 L24 A25 D26A18-Y22 VanDerWaalsContact O-CB 3.32Å; A18-Y22 WeakPolarHBondContact O-CB 2.96Å; A18-Y22 PolarHBondContact O-N 3.27Å; I19-Y22 WeakPolarHBondContact O-CB 3.33Å; I19-Y22 PolarHBondContact O-N 2.84Å; V20-Y22 VanDerWaalsContact C-N 3.33Å; V20-Y22 PolarHBondContact O-N 2.92Å; Y22-L24 VanDerWaalsContact C-N 3.28Å; Y22-L24 PolarHBondContact O-N 3.36Å; Y22-A25 PolarHBondContact O-N 3.32Å; Y22-D26 PolarHBondContact O-N 2.98Å
23I75.7Confident79.3Confident68 Ų6884.9 Ų84.935%0.34945%0.45SS..Hα-helixtrans-59.2-42177.6-68.1167.7000110.8I19 V20 W298I19-I23 HydrophobicContact CG2-CD1 3.77Å; I19-I23 HydrophobicContact CG2-CG1 4.46Å; I19-I23 VanDerWaalsContact O-CG1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.21Å; I19-I23 PolarHBondContact O-N 3.18Å; V20-I23 PolarHBondContact O-N 3.22Å; I23-W298 HydrophobicContact CD1-CB 4.15Å; I23-W298 HydrophobicContact CD1-CD2 4.44Å; I23-W298 HydrophobicContact CD1-CE3 4.49Å; I23-W298 HydrophobicContact CD1-CG 4.32Å; I23-W298 HydrophobicContact CG1-CB 3.82Å; I23-W298 HydrophobicContact CG1-CG 4.33Å
24L77.4Confident79.8Confident100 Ų10092.6 Ų92.652%0.52448%0.478SS..Hα-helixtrans-73.3-27.2179.6-70.3177.6000113.3V20 A21 Y22 R27V20-L24 HydrophobicContact CG1-CD1 3.71Å; V20-L24 HydrophobicContact CG1-CG 4.13Å; V20-L24 WeakPolarHBondContact O-CB 3.5Å; V20-L24 WeakPolarHBondContact O-CG 3.19Å; V20-L24 PolarHBondContact O-N 3.37Å; A21-L24 PolarHBondContact O-N 2.86Å; Y22-L24 VanDerWaalsContact C-N 3.28Å; Y22-L24 PolarHBondContact O-N 3.36Å; L24-R27 WeakPolarHBondContact O-CG 3.32Å; L24-R27 PolarHBondContact O-NE 2.89Å
25A71.9Confident80.4Confident81 Ų8193.1 Ų93.167%0.66948%0.476SS*.Hα-helixtrans-80.1-30.8177.300000112.1A21 Y22 R27A21-A25 WeakPolarHBondContact O-CB 3.25Å; A21-A25 PolarHBondContact O-N 3.43Å; Y22-A25 PolarHBondContact O-N 3.32Å; A25-R27 PolarHBondContact O-N 2.83Å
26D70.5Confident81.1Confident40 Ų4088.6 Ų88.621%0.21445%0.453CS..  trans-75.245.8175.6-166.541.1000112.9Y22 K28 R215Y22-D26 PolarHBondContact O-N 2.98Å; D26-K28 VanDerWaalsContact C-N 3.33Å; D26-K28 PolarHBondContact O-N 3.07Å; D26-R215 IonicContact OD1-CZ 3.55Å; D26-R215 IonicContact OD1-NH1 3.49Å; D26-R215 PolarHBondContact OD1-NH1 3.29Å; D26-R215 IonicContact OD1-NH2 2.7Å; D26-R215 PolarHBondContact OD1-NH2 3.09Å
27R58.9Low81.7Confident210 Ų21087.2 Ų87.279%0.79245%0.451SS*.  trans-66.9-32.5-177.3-61.7-166.7166-172.7-8.6113.1L24 A25 R29L24-R27 WeakPolarHBondContact O-CG 3.32Å; L24-R27 PolarHBondContact O-NE 2.89Å; A25-R27 PolarHBondContact O-N 2.83Å; R27-R29 VanDerWaalsContact C-N 3.26Å; R27-R29 PolarHBondContact O-N 3.42Å
28K62.2Low82.1Confident145 Ų14584.2 Ų84.263%0.6345%0.449SS*.  trans-85.371.3177.3-71.1-167.2179.5-173.40109.8D26 R215D26-K28 VanDerWaalsContact C-N 3.33Å; D26-K28 PolarHBondContact O-N 3.07Å; K28-R215 PolarHBondContact O-NH2 2.94Å
29R71Confident82.8Confident120 Ų12082.5 Ų82.545%0.45343%0.43SS..PPolyproline II helixtrans-72.7145.4166.5-97.6-178.8172.3-163.5-10.2110.7R27 Q31 W298R27-R29 VanDerWaalsContact C-N 3.26Å; R27-R29 PolarHBondContact O-N 3.42Å; R29-Q31 PolarHBondContact O-N 3.4Å; R29-W298 VanDerWaalsContact NH2-CD1 3.3Å
30C81.2Confident83.8Confident14 Ų1479.7 Ų79.710%0.09542%0.415CS..PPolyproline II helixtrans-58.5128.7169.2-162.90000108.9P32 R177 W220C30-P32 WeakPolarHBondContact O-CD 3.46Å; C30-R177 PolarHBondContact SG-NH1 3.26Å; C30-R177 VanDerWaalsContact SG-NH1 3.42Å; C30-R177 PolarHBondContact SG-NH2 2.79Å; C30-W220 HydrophobicContact CB-CD2 3.44Å; C30-W220 VanDerWaalsContact CB-CD2 3.44Å; C30-W220 HydrophobicContact CB-CE3 3.68Å; C30-W220 HydrophobicContact CB-CG 4.05Å; C30-W220 HydrophobicContact CB-CH2 3.77Å; C30-W220 HydrophobicContact CB-CZ2 3.54Å; C30-W220 HydrophobicContact CB-CZ3 3.83Å; C30-W220 VanDerWaalsContact N-CH2 3.3Å; C30-W220 VanDerWaalsContact SG-CE2 3.55Å; C30-W220 PolarHBondContact SG-NE1 2.97Å; C30-W220 VanDerWaalsContact SG-NE1 3.42Å
31Q88.2Confident84.5Confident123 Ų12376.1 Ų76.158%0.57539%0.393SS*.PPolyproline II helixtrans-77.5124.8167.4-67.1-59.9-33.500108.1R29 N175 R177R29-Q31 PolarHBondContact O-N 3.4Å; Q31-N175 WeakPolarHBondContact CB-ND2 3.4Å; Q31-N175 PolarHBondContact O-ND2 3.09Å; Q31-R177 PolarHBondContact O-NH2 3.43Å
32P92.9Very high85.4Confident73 Ų7373.4 Ų73.447%0.47437%0.371SS..PPolyproline II helixtrans-60.8139.2176-23.534.2000111.1C30 K34 A270C30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-K34 PolarHBondContact O-N 3.45Å; P32-A270 CarbonylContact C-O 3.58Å; P32-A270 VanDerWaalsContact CA-O 3.3Å; P32-A270 WeakPolarHBondContact CA-O 3.42Å
33I95.7Very high86.4Confident12 Ų1268.5 Ų68.56%0.06235%0.352CS..PPolyproline II helixtrans-80116.7170.8-61.2165000107.5N35 F36 Y39 I122 N175 R177 A270I33-N35 WeakPolarHBondContact CG2-O 3.47Å; I33-F36 HydrophobicContact CB-CD1 4.38Å; I33-F36 HydrophobicContact CB-CE1 4.11Å; I33-F36 HydrophobicContact CD1-CE1 4.47Å; I33-F36 HydrophobicContact CG2-CD1 3.53Å; I33-F36 HydrophobicContact CG2-CE1 3.77Å; I33-Y39 HydrophobicContact CD1-CE1 3.95Å; I33-Y39 HydrophobicContact CG1-CE1 4.48Å; I33-Y39 HydrophobicContact CG2-CD2 4.43Å; I33-Y39 HydrophobicContact CG2-CE2 3.8Å; I33-I122 HydrophobicContact CD1-CD1 4.21Å; I33-N175 HydrophobicContact CD1-CB 4.25Å; I33-N175 WeakPolarHBondContact CD1-O 3.47Å; I33-N175 HydrophobicContact CG1-CB 3.83Å; I33-R177 HydrophobicContact CD1-CG 3.74Å; I33-A270 PolarHBondContact N-O 3.09Å
34K93.8Very high87.5Confident211 Ų21165.3 Ų65.392%0.91734%0.335SS*.SBendtrans-70-42.8-176.7-67.5-176.6179.1179.60112.9P32P32-K34 PolarHBondContact O-N 3.45Å
35N94.3Very high88.4Confident85 Ų8561.3 Ų61.346%0.45532%0.319SS..  trans-147.3165.1172.565.337000108.7I33 S37I33-N35 WeakPolarHBondContact CG2-O 3.47Å; N35-S37 VanDerWaalsContact C-N 3.35Å; N35-S37 WeakPolarHBondContact OD1-CB 3.49Å; N35-S37 PolarHBondContact OD1-N 3.33Å; N35-S37 PolarHBondContact OD1-OG 3.39Å
36F97.2Very high89.6Confident1 Ų157.5 Ų57.50%0.00429%0.287CS..  trans-96.916.1-177.1-63.3-10.3000112.7I33 G38 Y39 V41 A58 R61 A63 I122 L266 A270I33-F36 HydrophobicContact CB-CD1 4.38Å; I33-F36 HydrophobicContact CB-CE1 4.11Å; I33-F36 HydrophobicContact CD1-CE1 4.47Å; I33-F36 HydrophobicContact CG2-CD1 3.53Å; I33-F36 HydrophobicContact CG2-CE1 3.77Å; F36-G38 PolarHBondContact O-N 3.16Å; F36-Y39 VanDerWaalsContact O-CB 3.32Å; F36-Y39 WeakPolarHBondContact O-CB 3.07Å; F36-Y39 PolarHBondContact O-N 3.47Å; F36-V41 HydrophobicContact CD2-CG2 4.24Å; F36-A58 HydrophobicContact CD2-CB 4.37Å; F36-R61 WeakPolarHBondContact CA-O 3.47Å; F36-R61 HydrophobicContact CB-CB 3.97Å; F36-R61 HydrophobicContact CD2-CB 3.84Å; F36-R61 HydrophobicContact CG-CB 3.89Å; F36-R61 PolarHBondContact N-O 3.03Å; F36-A63 HydrophobicContact CB-CB 3.57Å; F36-A63 HydrophobicContact CD2-CB 4.33Å; F36-A63 HydrophobicContact CG-CB 4.46Å; F36-A63 VanDerWaalsContact O-CA 3.3Å; F36-A63 WeakPolarHBondContact O-CA 3.15Å; F36-I122 HydrophobicContact CD1-CD1 3.96Å; F36-I122 HydrophobicContact CD2-CD1 4.18Å; F36-I122 HydrophobicContact CE1-CD1 3.87Å; F36-I122 HydrophobicContact CE2-CD1 4.08Å; F36-I122 HydrophobicContact CG-CD1 4.14Å; F36-I122 HydrophobicContact CZ-CD1 3.93Å; F36-L266 HydrophobicContact CE2-CB 4.46Å; F36-L266 HydrophobicContact CE2-CD1 4Å; F36-L266 HydrophobicContact CE2-CD2 3.85Å; F36-L266 HydrophobicContact CE2-CG 4.33Å; F36-L266 HydrophobicContact CZ-CD2 4.28Å; F36-A270 HydrophobicContact CE1-CB 4Å; F36-A270 HydrophobicContact CZ-CB 4.17Å
37S96.2Very high90.9Very high69 Ų6956.3 Ų56.348%0.48328%0.282SS..THydrogen-bonded Turntrans-56.7126.1173.6-600000111.2N35 Y39 G62N35-S37 VanDerWaalsContact C-N 3.35Å; N35-S37 WeakPolarHBondContact OD1-CB 3.49Å; N35-S37 PolarHBondContact OD1-N 3.33Å; N35-S37 PolarHBondContact OD1-OG 3.39Å; S37-Y39 PolarHBondContact O-N 2.9Å; S37-G62 WeakPolarHBondContact CA-O 3.42Å
38G94.9Very high92.7Very high55 Ų5550.7 Ų50.757%0.56726%0.263SS*.THydrogen-bonded Turntrans73.69.3-176.300000114.7F36 K174F36-G38 PolarHBondContact O-N 3.16Å; G38-K174 PolarHBondContact O-NZ 2.98Å
39Y97.1Very high94.4Very high26 Ų2644.4 Ų44.410%0.10224%0.24CC..  trans-95.2137.2169-72.2-99.8000110.3I33 F36 S37 D64 D121 I122 K174 N175I33-Y39 HydrophobicContact CD1-CE1 3.95Å; I33-Y39 HydrophobicContact CG1-CE1 4.48Å; I33-Y39 HydrophobicContact CG2-CD2 4.43Å; I33-Y39 HydrophobicContact CG2-CE2 3.8Å; F36-Y39 VanDerWaalsContact O-CB 3.32Å; F36-Y39 WeakPolarHBondContact O-CB 3.07Å; F36-Y39 PolarHBondContact O-N 3.47Å; S37-Y39 PolarHBondContact O-N 2.9Å; Y39-D64 PolarHBondContact O-N 2.88Å; Y39-D121 HydrophobicContact CD1-CB 3.61Å; Y39-D121 HydrophobicContact CE1-CB 4.32Å; Y39-D121 HydrophobicContact CG-CB 4.46Å; Y39-I122 HydrophobicContact CD1-CD1 4Å; Y39-I122 HydrophobicContact CD1-CG1 3.96Å; Y39-I122 HydrophobicContact CG-CD1 4.33Å; Y39-K174 HydrophobicContact CE1-CD 4.42Å; Y39-K174 HydrophobicContact CE1-CG 3.99Å; Y39-N175 VanDerWaalsContact CE1-O 3.23Å; Y39-N175 WeakPolarHBondContact CE1-O 3.39Å
40H98.2Very high95.7Very high6 Ų639.9 Ų39.93%0.02822%0.224CC..EExtended strand (participates in β ladder)trans-94.4115.9166.5179.9-161.8000109.8D64 S66 G118 P119 D121 I122H40-D64 WeakPolarHBondContact CA-O 3.38Å; H40-S66 WeakPolarHBondContact NE2-CB 3.41Å; H40-S66 PolarHBondContact NE2-OG 3.34Å; H40-G118 PolarHBondContact CE1-O 3.02Å; H40-G118 PolarHBondContact ND1-O 3.4Å; H40-P119 WeakPolarHBondContact CB-O 3.31Å; H40-D121 PolarHBondContact O-N 2.84Å; H40-I122 PolarHBondContact O-N 3.48Å; H40-I122 VanDerWaalsContact O-N 3.09Å
41V98.8Very high96.5Very high0 Ų039.2 Ų39.20%022%0.22CC..EExtended strand (participates in β ladder)trans-102.2117.9179.2-175.40000109.6F36 I43 A58 A63 D64 V65 S66 I122 I124F36-V41 HydrophobicContact CD2-CG2 4.24Å; V41-I43 HydrophobicContact CG1-CD1 4.06Å; V41-I43 HydrophobicContact CG1-CG1 3.86Å; V41-A58 HydrophobicContact CB-CB 4.33Å; V41-A58 HydrophobicContact CG1-CB 4.17Å; V41-A58 HydrophobicContact CG2-CB 4.17Å; V41-A63 HydrophobicContact CB-CB 4.38Å; V41-A63 HydrophobicContact CG2-CB 3.5Å; V41-D64 PolarHBondContact N-O 2.7Å; V41-V65 HydrophobicContact CB-CG2 4.36Å; V41-V65 WeakPolarHBondContact O-CA 3.07Å; V41-S66 PolarHBondContact O-N 3.49Å; V41-I122 CarbonylContact C-O 3.48Å; V41-I122 VanDerWaalsContact CA-O 3.28Å; V41-I122 WeakPolarHBondContact CA-O 3.27Å; V41-I122 HydrophobicContact CB-CB 4.37Å; V41-I122 HydrophobicContact CG1-CB 4.26Å; V41-I122 HydrophobicContact CG1-CG2 4.03Å; V41-I122 HydrophobicContact CG2-CB 3.92Å; V41-I122 HydrophobicContact CG2-CD1 4.11Å; V41-I122 HydrophobicContact CG2-CG1 4.39Å; V41-I122 HydrophobicContact CG2-CG2 4.32Å; V41-I124 HydrophobicContact CG1-CG1 4.17Å
42L98.9Very high97Very high0 Ų035.4 Ų35.40%020%0.201CC..EExtended strand (participates in β ladder)trans-102.2127.7174.6176.359.7000110.5S66 I68 M110 I113 V120 I122 L123 I124L42-S66 WeakPolarHBondContact CA-O 3.28Å; L42-I68 HydrophobicContact CD1-CD1 3.81Å; L42-I68 HydrophobicContact CD1-CG1 4Å; L42-M110 HydrophobicContact CD2-CE 4.39Å; L42-M110 HydrophobicContact CD2-SD 3.68Å; L42-I113 HydrophobicContact CD1-CD1 3.94Å; L42-I113 HydrophobicContact CD1-CG2 4.25Å; L42-I113 HydrophobicContact CD2-CD1 4.36Å; L42-I113 HydrophobicContact CD2-CG2 4.44Å; L42-V120 HydrophobicContact CB-CG1 3.78Å; L42-V120 HydrophobicContact CB-CG2 3.94Å; L42-V120 HydrophobicContact CD2-CG2 4.02Å; L42-I122 PolarHBondContact N-O 3.3Å; L42-L123 HydrophobicContact CB-CD1 4.3Å; L42-L123 HydrophobicContact CD2-CD1 4.06Å; L42-L123 HydrophobicContact CG-CD1 4.11Å; L42-I124 PolarHBondContact O-N 2.84Å
43I98.9Very high97.3Very high0 Ų032.5 Ų32.50%018%0.183CC..EExtended strand (participates in β ladder)trans-126.9119.1-176.4-53.3164.8000110.4V41 I54 A55 V65 S66 I67 I68 I124 N126V41-I43 HydrophobicContact CG1-CD1 4.06Å; V41-I43 HydrophobicContact CG1-CG1 3.86Å; I43-I54 HydrophobicContact CD1-CB 4.39Å; I43-I54 HydrophobicContact CD1-CG2 3.8Å; I43-I54 HydrophobicContact CG1-CG2 4.3Å; I43-A55 HydrophobicContact CD1-CB 3.56Å; I43-V65 HydrophobicContact CD1-CG1 4.14Å; I43-S66 PolarHBondContact N-O 3.42Å; I43-I67 HydrophobicContact CB-CG2 4.44Å; I43-I68 PolarHBondContact O-N 3.19Å; I43-I124 HydrophobicContact CB-CB 4.41Å; I43-I124 HydrophobicContact CG1-CB 4.03Å; I43-I124 HydrophobicContact CG1-CG1 4.02Å; I43-I124 HydrophobicContact CG2-CB 4.29Å; I43-I124 HydrophobicContact CG2-CG2 4.4Å; I43-N126 HydrophobicContact CG2-CB 4.41Å
44T98.5Very high97.4Very high0 Ų031.9 Ų31.90%018%0.18CC..EExtended strand (participates in β ladder)trans-83.3138.6173.367.80000110.9G46 I68 L99 I124 N125 N126 V127 I157T44-G46 VanDerWaalsContact C-N 3.32Å; T44-I68 HydrophobicContact CG2-CD1 4.42Å; T44-L99 HydrophobicContact CG2-CD1 3.87Å; T44-I124 PolarHBondContact N-O 3.39Å; T44-N125 WeakPolarHBondContact OG1-CA 3.36Å; T44-N126 CarbonylContact O-C 3.46Å; T44-N126 WeakPolarHBondContact O-CB 3.29Å; T44-N126 PolarHBondContact O-ND2 3.29Å; T44-N126 PolarHBondContact OG1-N 3.39Å; T44-V127 PolarHBondContact O-N 3.17Å; T44-V127 VanDerWaalsContact O-N 3.15Å; T44-V127 WeakPolarHBondContact OG1-CG1 3.33Å; T44-V127 PolarHBondContact OG1-N 3.26Å; T44-I157 HydrophobicContact CG2-CD1 3.58Å
45G97.7Very high97.6Very high17 Ų1721.9 Ų21.918%0.17514%0.136CC..THydrogen-bonded Turntrans65.335.7-171.800000112.6S47 I68 N126G45-S47 VanDerWaalsContact C-N 3.32Å; G45-S47 PolarHBondContact O-N 3.25Å; G45-I68 VanDerWaalsContact CA-O 3.3Å; G45-I68 WeakPolarHBondContact CA-O 3.24Å; G45-I68 PolarHBondContact N-O 3.03Å; G45-N126 PolarHBondContact O-ND2 3.33Å
46G97.3Very high97.8Very high0 Ų019.3 Ų19.30%012%0.123CC..THydrogen-bonded Turntrans-80.1-1.5-171.400000116T44 K52 I68T44-G46 VanDerWaalsContact C-N 3.32Å; G46-K52 WeakPolarHBondContact O-CA 3.16Å; G46-K52 PolarHBondContact O-N 3.49Å; G46-I68 PolarHBondContact N-O 3.23Å
47S97.3Very high97.9Very high16 Ų1620.4 Ų20.411%0.11213%0.128CC..THydrogen-bonded Turntrans-86.8-14.5-173.967.20000114.9G45 A69 T78G45-S47 VanDerWaalsContact C-N 3.32Å; G45-S47 PolarHBondContact O-N 3.25Å; S47-A69 WeakPolarHBondContact OG-CB 3.41Å; S47-T78 PolarHBondContact O-OG1 3.17Å
48K96.8Very high98Very high91 Ų9117.1 Ų17.140%0.39611%0.105SC..SBendtrans-152.1171.3-179.866.1176.3-175.2170.80112.7G51 K52K48-G51 PolarHBondContact O-N 3.32Å; K48-K52 PolarHBondContact O-N 3.08Å; K48-K52 VanDerWaalsContact O-N 3.17Å
49G97.1Very high98.2Very high13 Ų1314.5 Ų14.513%0.1348%0.078CC..Hα-helixtrans50-133.7174.500000114.8G51 K52 A53 T231G49-G51 VanDerWaalsContact C-N 3.33Å; G49-G51 PolarHBondContact O-N 2.97Å; G49-K52 PolarHBondContact O-N 3.36Å; G49-A53 PolarHBondContact O-N 3.23Å; G49-A53 VanDerWaalsContact O-N 3.09Å; G49-T231 VanDerWaalsContact CA-CG2 3.49Å
50I98.1Very high98.2Very high26 Ų2620.7 Ų20.713%0.13310%0.101CC..Hα-helixtrans-58.8-42.6-178.6-64.3169.9000111.5K52 A53 I54 N126 P226 T229 T231 V261 I265I50-K52 PolarHBondContact O-N 3.09Å; I50-A53 WeakPolarHBondContact O-CB 3.33Å; I50-A53 PolarHBondContact O-N 2.93Å; I50-I54 HydrophobicContact CG2-CD1 3.67Å; I50-I54 HydrophobicContact CG2-CG1 4.16Å; I50-I54 VanDerWaalsContact O-CG1 3.3Å; I50-I54 WeakPolarHBondContact O-CG1 3.19Å; I50-I54 PolarHBondContact O-N 3.27Å; I50-N126 WeakPolarHBondContact CG2-OD1 3.46Å; I50-P226 HydrophobicContact CD1-CB 4.21Å; I50-P226 HydrophobicContact CD1-CG 4.26Å; I50-T229 HydrophobicContact CD1-CG2 4.11Å; I50-T229 HydrophobicContact CG1-CG2 3.81Å; I50-T231 HydrophobicContact CG1-CG2 4.48Å; I50-V261 HydrophobicContact CD1-CG1 3.96Å; I50-V261 HydrophobicContact CG1-CG1 3.99Å; I50-V261 HydrophobicContact CG2-CG1 4.06Å; I50-I265 HydrophobicContact CG2-CD1 3.98Å
51G98.4Very high98.2Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-62-43.1-178.200000112.6K48 G49 I54 A55 N126K48-G51 PolarHBondContact O-N 3.32Å; G49-G51 VanDerWaalsContact C-N 3.33Å; G49-G51 PolarHBondContact O-N 2.97Å; G51-I54 PolarHBondContact O-N 3.42Å; G51-A55 WeakPolarHBondContact O-CB 3.14Å; G51-A55 PolarHBondContact O-N 3.31Å; G51-N126 VanDerWaalsContact CA-ND2 3.3Å; G51-N126 WeakPolarHBondContact CA-ND2 3.39Å; G51-N126 PolarHBondContact N-ND2 3.24Å
52K98.5Very high98.2Very high43 Ų4323.2 Ų23.219%0.18711%0.114CC..Hα-helixtrans-63.2-43173.5174.7172179175.50112G46 K48 G49 I50 I54 A55 L56 T78 E81G46-K52 WeakPolarHBondContact O-CA 3.16Å; G46-K52 PolarHBondContact O-N 3.49Å; K48-K52 PolarHBondContact O-N 3.08Å; K48-K52 VanDerWaalsContact O-N 3.17Å; G49-K52 PolarHBondContact O-N 3.36Å; I50-K52 PolarHBondContact O-N 3.09Å; K52-I54 PolarHBondContact O-N 3.06Å; K52-A55 WeakPolarHBondContact O-CB 3.26Å; K52-A55 PolarHBondContact O-N 3.32Å; K52-L56 HydrophobicContact CG-CD1 4.17Å; K52-L56 PolarHBondContact O-N 2.93Å; K52-T78 HydrophobicContact CB-CG2 4.37Å; K52-T78 HydrophobicContact CD-CG2 4.08Å; K52-T78 HydrophobicContact CG-CG2 3.85Å; K52-E81 WeakPolarHBondContact CE-OE2 3.48Å; K52-E81 IonicContact NZ-OE1 3.89Å; K52-E81 PolarHBondContact NZ-OE1 3.1Å; K52-E81 IonicContact NZ-OE2 2.9Å; K52-E81 PolarHBondContact NZ-OE2 2.93Å
53A98.6Very high98.1Very high11 Ų1123.2 Ų23.29%0.09111%0.114CC..Hα-helixtrans-63-41.2177.500000112.7G49 I50 A55 E57 P258G49-A53 PolarHBondContact O-N 3.23Å; G49-A53 VanDerWaalsContact O-N 3.09Å; I50-A53 WeakPolarHBondContact O-CB 3.33Å; I50-A53 PolarHBondContact O-N 2.93Å; A53-A55 VanDerWaalsContact C-N 3.34Å; A53-E57 WeakPolarHBondContact O-CB 3.41Å; A53-E57 PolarHBondContact O-N 2.79Å; A53-E57 VanDerWaalsContact O-N 3.07Å; A53-P258 VanDerWaalsContact CB-C 3.43Å; A53-P258 HydrophobicContact CB-CB 4Å; A53-P258 WeakPolarHBondContact CB-O 3.32Å
54I98.8Very high98.1Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-62.6-43.2173-67.6171.1000110.2I43 I50 G51 K52 E57 A58 I124 V181 I265 L266I43-I54 HydrophobicContact CD1-CB 4.39Å; I43-I54 HydrophobicContact CD1-CG2 3.8Å; I43-I54 HydrophobicContact CG1-CG2 4.3Å; I50-I54 HydrophobicContact CG2-CD1 3.67Å; I50-I54 HydrophobicContact CG2-CG1 4.16Å; I50-I54 VanDerWaalsContact O-CG1 3.3Å; I50-I54 WeakPolarHBondContact O-CG1 3.19Å; I50-I54 PolarHBondContact O-N 3.27Å; G51-I54 PolarHBondContact O-N 3.42Å; K52-I54 PolarHBondContact O-N 3.06Å; I54-E57 PolarHBondContact O-N 3.48Å; I54-A58 WeakPolarHBondContact O-CB 3.3Å; I54-A58 PolarHBondContact O-N 3.42Å; I54-I124 HydrophobicContact CD1-CG2 3.85Å; I54-I124 HydrophobicContact CG2-CG1 4.07Å; I54-I124 HydrophobicContact CG2-CG2 4.3Å; I54-V181 HydrophobicContact CD1-CG2 4.38Å; I54-I265 HydrophobicContact CD1-CB 4.39Å; I54-I265 HydrophobicContact CD1-CD1 3.91Å; I54-I265 HydrophobicContact CD1-CG2 4.05Å; I54-L266 HydrophobicContact CG2-CD1 4.06Å; I54-L266 HydrophobicContact CG2-CD2 3.93Å; I54-L266 HydrophobicContact CG2-CG 3.95Å; I54-L266 WeakPolarHBondContact O-CD1 3.33Å
55A98.8Very high98.1Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-60.8-47.7178.900000111.8I43 G51 K52 A53 E57 A58 V59 V65 I67 L82I43-A55 HydrophobicContact CD1-CB 3.56Å; G51-A55 WeakPolarHBondContact O-CB 3.14Å; G51-A55 PolarHBondContact O-N 3.31Å; K52-A55 WeakPolarHBondContact O-CB 3.26Å; K52-A55 PolarHBondContact O-N 3.32Å; A53-A55 VanDerWaalsContact C-N 3.34Å; A55-E57 VanDerWaalsContact C-N 3.32Å; A55-E57 PolarHBondContact O-N 3.46Å; A55-A58 PolarHBondContact O-N 3.4Å; A55-V59 WeakPolarHBondContact O-CG2 3.21Å; A55-V59 PolarHBondContact O-N 2.81Å; A55-V65 HydrophobicContact CB-CG1 4.13Å; A55-I67 HydrophobicContact CB-CG2 3.91Å; A55-L82 HydrophobicContact CB-CD1 3.94Å; A55-L82 HydrophobicContact CB-CD2 3.69Å; A55-L82 HydrophobicContact CB-CG 4.44Å
56L98.6Very high98.2Very high31 Ų3123.9 Ų23.916%0.16211%0.114CC..Hα-helixtrans-59.7-43.4177.2-78.9164.2000111.8K52 V59 R60 L82 A85K52-L56 HydrophobicContact CG-CD1 4.17Å; K52-L56 PolarHBondContact O-N 2.93Å; L56-V59 PolarHBondContact O-N 3.3Å; L56-R60 VanDerWaalsContact O-CG 3.32Å; L56-R60 WeakPolarHBondContact O-CG 2.96Å; L56-R60 PolarHBondContact O-N 2.87Å; L56-L82 HydrophobicContact CB-CD2 4.33Å; L56-L82 HydrophobicContact CD2-CD2 3.86Å; L56-L82 HydrophobicContact CG-CD2 3.86Å; L56-A85 HydrophobicContact CD2-CB 4.27Å
57E98.5Very high98.3Very high24 Ų2423.9 Ų23.911%0.11211%0.114CC..Hα-helixtrans-69.7-36.6178.3-179.266.4-164.400112.4A53 I54 A55 R60 R61 L266A53-E57 WeakPolarHBondContact O-CB 3.41Å; A53-E57 PolarHBondContact O-N 2.79Å; A53-E57 VanDerWaalsContact O-N 3.07Å; I54-E57 PolarHBondContact O-N 3.48Å; A55-E57 VanDerWaalsContact C-N 3.32Å; A55-E57 PolarHBondContact O-N 3.46Å; E57-R60 PolarHBondContact O-N 3Å; E57-R61 WeakPolarHBondContact O-CG 3.37Å; E57-R61 PolarHBondContact O-N 2.97Å; E57-R61 IonicContact OE1-CZ 3.8Å; E57-R61 VanDerWaalsContact OE1-CZ 3.24Å; E57-R61 IonicContact OE1-NE 2.68Å; E57-R61 PolarHBondContact OE1-NE 3.41Å; E57-R61 IonicContact OE1-NH2 3.24Å; E57-R61 PolarHBondContact OE1-NH2 2.93Å; E57-L266 HydrophobicContact CB-CD1 3.79Å; E57-L266 HydrophobicContact CG-CB 4.33Å; E57-L266 HydrophobicContact CG-CD1 3.68Å
58A98.7Very high98.3Very high0 Ų023.1 Ų23.10%011%0.109CC..Hα-helixtrans-62.7-43.9174.300000111.7F36 V41 I54 A55 R61 G62 A63 V65 L266F36-A58 HydrophobicContact CD2-CB 4.37Å; V41-A58 HydrophobicContact CB-CB 4.33Å; V41-A58 HydrophobicContact CG1-CB 4.17Å; V41-A58 HydrophobicContact CG2-CB 4.17Å; I54-A58 WeakPolarHBondContact O-CB 3.3Å; I54-A58 PolarHBondContact O-N 3.42Å; A55-A58 PolarHBondContact O-N 3.4Å; A58-R61 PolarHBondContact O-N 3.2Å; A58-R61 VanDerWaalsContact O-N 3.16Å; A58-G62 PolarHBondContact O-N 2.75Å; A58-A63 HydrophobicContact CB-CB 4.32Å; A58-A63 VanDerWaalsContact O-CB 3.3Å; A58-A63 WeakPolarHBondContact O-CB 3.34Å; A58-A63 PolarHBondContact O-N 2.84Å; A58-A63 VanDerWaalsContact O-N 3.11Å; A58-V65 HydrophobicContact CB-CG2 3.91Å; A58-L266 HydrophobicContact CB-CD1 3.92Å
59V98.6Very high98.4Very high1 Ų119.3 Ų19.31%0.0069%0.094CC..Hα-helixtrans-60.7-46.1174.4171.10000110.9A55 L56 R61 G62 V65 L82 A85 Q90 I92A55-V59 WeakPolarHBondContact O-CG2 3.21Å; A55-V59 PolarHBondContact O-N 2.81Å; L56-V59 PolarHBondContact O-N 3.3Å; V59-R61 PolarHBondContact O-N 3.09Å; V59-G62 WeakPolarHBondContact O-CA 3.38Å; V59-G62 PolarHBondContact O-N 3.07Å; V59-V65 HydrophobicContact CG2-CB 4.08Å; V59-V65 HydrophobicContact CG2-CG2 3.54Å; V59-L82 HydrophobicContact CG2-CB 4.19Å; V59-L82 HydrophobicContact CG2-CD2 3.84Å; V59-L82 HydrophobicContact CG2-CG 4.48Å; V59-A85 HydrophobicContact CG1-CB 4.2Å; V59-Q90 PolarHBondContact O-NE2 3.05Å; V59-I92 HydrophobicContact CG2-CD1 3.56Å
60R97.8Very high98.3Very high156 Ų15626.8 Ų26.859%0.58912%0.119SC*.Hα-helixtrans-60.3-26.5176.6-74.4174.5-178.9145.72.6113.4L56 E57 G62L56-R60 VanDerWaalsContact O-CG 3.32Å; L56-R60 WeakPolarHBondContact O-CG 2.96Å; L56-R60 PolarHBondContact O-N 2.87Å; E57-R60 PolarHBondContact O-N 3Å; R60-G62 VanDerWaalsContact C-N 3.27Å
61R97.5Very high98.3Very high45 Ų4529.7 Ų29.717%0.1713%0.134CC..THydrogen-bonded Turntrans-842.1174.1-67.5175.4-167.4-142.7-1.5113.4F36 E57 A58 V59 L266 D267F36-R61 WeakPolarHBondContact CA-O 3.47Å; F36-R61 HydrophobicContact CB-CB 3.97Å; F36-R61 HydrophobicContact CD2-CB 3.84Å; F36-R61 HydrophobicContact CG-CB 3.89Å; F36-R61 PolarHBondContact N-O 3.03Å; E57-R61 WeakPolarHBondContact O-CG 3.37Å; E57-R61 PolarHBondContact O-N 2.97Å; E57-R61 IonicContact OE1-CZ 3.8Å; E57-R61 VanDerWaalsContact OE1-CZ 3.24Å; E57-R61 IonicContact OE1-NE 2.68Å; E57-R61 PolarHBondContact OE1-NE 3.41Å; E57-R61 IonicContact OE1-NH2 3.24Å; E57-R61 PolarHBondContact OE1-NH2 2.93Å; A58-R61 PolarHBondContact O-N 3.2Å; A58-R61 VanDerWaalsContact O-N 3.16Å; V59-R61 PolarHBondContact O-N 3.09Å; R61-L266 PolarHBondContact NH1-O 3.09Å; R61-D267 IonicContact CZ-OD1 3.15Å; R61-D267 VanDerWaalsContact CZ-OD1 3.24Å; R61-D267 IonicContact NH1-OD1 2.79Å; R61-D267 PolarHBondContact NH1-OD1 2.91Å; R61-D267 IonicContact NH2-OD1 2.93Å; R61-D267 PolarHBondContact NH2-OD1 3.07Å
62G98Very high98.2Very high13 Ų1331.4 Ų31.413%0.13415%0.148CC..THydrogen-bonded Turntrans93.212.6175.100000115.4S37 A58 V59 R60S37-G62 WeakPolarHBondContact CA-O 3.42Å; A58-G62 PolarHBondContact O-N 2.75Å; V59-G62 WeakPolarHBondContact O-CA 3.38Å; V59-G62 PolarHBondContact O-N 3.07Å; R60-G62 VanDerWaalsContact C-N 3.27Å
63A98.4Very high98.2Very high0 Ų035 Ų350%017%0.169CC..  trans-80150.6-176.300000114F36 V41 A58 V65 Q90F36-A63 HydrophobicContact CB-CB 3.57Å; F36-A63 HydrophobicContact CD2-CB 4.33Å; F36-A63 HydrophobicContact CG-CB 4.46Å; F36-A63 VanDerWaalsContact O-CA 3.3Å; F36-A63 WeakPolarHBondContact O-CA 3.15Å; V41-A63 HydrophobicContact CB-CB 4.38Å; V41-A63 HydrophobicContact CG2-CB 3.5Å; A58-A63 HydrophobicContact CB-CB 4.32Å; A58-A63 VanDerWaalsContact O-CB 3.3Å; A58-A63 WeakPolarHBondContact O-CB 3.34Å; A58-A63 PolarHBondContact O-N 2.84Å; A58-A63 VanDerWaalsContact O-N 3.11Å; A63-V65 HydrophobicContact CB-CG2 4.22Å; A63-Q90 PolarHBondContact O-NE2 3.05Å
64D98.6Very high98.1Very high31 Ų3135.8 Ų35.817%0.16618%0.177CC..EExtended strand (participates in β ladder)trans-73.6137.2155.5-66.3-25.2000108.2Y39 H40 V41 Q90 K91Y39-D64 PolarHBondContact O-N 2.88Å; H40-D64 WeakPolarHBondContact CA-O 3.38Å; V41-D64 PolarHBondContact N-O 2.7Å; D64-Q90 WeakPolarHBondContact OD1-CA 3.23Å; D64-K91 CarbonylContact C-O 3.56Å; D64-K91 WeakPolarHBondContact CA-O 3.38Å; D64-K91 HydrophobicContact CB-CB 4.4Å; D64-K91 PolarHBondContact OD1-N 3.44Å
65V98.8Very high98.1Very high0 Ų035.8 Ų35.80%018%0.177CC..EExtended strand (participates in β ladder)trans-127.9128-173.2176.90000111.4V41 I43 A55 A58 V59 A63 I67 L82 K91 I92 F93V41-V65 HydrophobicContact CB-CG2 4.36Å; V41-V65 WeakPolarHBondContact O-CA 3.07Å; I43-V65 HydrophobicContact CD1-CG1 4.14Å; A55-V65 HydrophobicContact CB-CG1 4.13Å; A58-V65 HydrophobicContact CB-CG2 3.91Å; V59-V65 HydrophobicContact CG2-CB 4.08Å; V59-V65 HydrophobicContact CG2-CG2 3.54Å; A63-V65 HydrophobicContact CB-CG2 4.22Å; V65-I67 HydrophobicContact CG1-CG2 3.95Å; V65-L82 HydrophobicContact CG1-CD1 4.24Å; V65-K91 PolarHBondContact N-O 3.35Å; V65-I92 HydrophobicContact CB-CD1 4.09Å; V65-I92 WeakPolarHBondContact O-CA 3.27Å; V65-F93 PolarHBondContact O-N 3.42Å
66S98.8Very high98.1Very high0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-110126.5166-71.80000110H40 V41 L42 I43 F93H40-S66 WeakPolarHBondContact NE2-CB 3.41Å; H40-S66 PolarHBondContact NE2-OG 3.34Å; V41-S66 PolarHBondContact O-N 3.49Å; L42-S66 WeakPolarHBondContact CA-O 3.28Å; I43-S66 PolarHBondContact N-O 3.42Å; S66-F93 WeakPolarHBondContact CA-O 3.34Å
67I98.8Very high98.1Very high0 Ų044 Ų440%021%0.214CC..EExtended strand (participates in β ladder)trans-112.6140173.955.7174.1000111.6I43 A55 V65 L75 T78 L82 F93 W94 Y95I43-I67 HydrophobicContact CB-CG2 4.44Å; A55-I67 HydrophobicContact CB-CG2 3.91Å; V65-I67 HydrophobicContact CG1-CG2 3.95Å; I67-L75 HydrophobicContact CB-CD2 4.25Å; I67-L75 HydrophobicContact CD1-CD2 3.72Å; I67-L75 HydrophobicContact CG1-CD2 3.73Å; I67-T78 HydrophobicContact CD1-CG2 3.79Å; I67-L82 HydrophobicContact CD1-CD1 4.08Å; I67-L82 HydrophobicContact CG2-CD1 4.19Å; I67-F93 PolarHBondContact N-O 3.12Å; I67-W94 HydrophobicContact CD1-CB 4.26Å; I67-W94 HydrophobicContact CG1-CB 3.73Å; I67-W94 WeakPolarHBondContact O-CA 3.32Å; I67-Y95 PolarHBondContact O-N 3.09Å
68I98.6Very high98.1Very high0 Ų043 Ų430%021%0.209CC..EExtended strand (participates in β ladder)trans-119.4132.4175.2-52.8168.5000109.5L42 I43 T44 G45 G46 Y95 A97 L99 L109 M110 I113L42-I68 HydrophobicContact CD1-CD1 3.81Å; L42-I68 HydrophobicContact CD1-CG1 4Å; I43-I68 PolarHBondContact O-N 3.19Å; T44-I68 HydrophobicContact CG2-CD1 4.42Å; G45-I68 VanDerWaalsContact CA-O 3.3Å; G45-I68 WeakPolarHBondContact CA-O 3.24Å; G45-I68 PolarHBondContact N-O 3.03Å; G46-I68 PolarHBondContact N-O 3.23Å; I68-Y95 WeakPolarHBondContact CA-O 3.41Å; I68-A97 HydrophobicContact CG2-CB 4.01Å; I68-L99 HydrophobicContact CG2-CD1 4.18Å; I68-L99 HydrophobicContact CG2-CD2 4.1Å; I68-L99 HydrophobicContact CG2-CG 4.18Å; I68-L109 HydrophobicContact CD1-CD2 3.99Å; I68-L109 HydrophobicContact CG2-CD2 4.12Å; I68-M110 HydrophobicContact CD1-CE 3.71Å; I68-I113 HydrophobicContact CD1-CD1 3.59Å; I68-I113 HydrophobicContact CG1-CD1 3.98Å
69A97.8Very high98Very high12 Ų1243 Ų4310%0.09921%0.209CC..EExtended strand (participates in β ladder)trans-158.1-179.7168.600000111S47 L75 Y95 T96 A97S47-A69 WeakPolarHBondContact OG-CB 3.41Å; A69-L75 HydrophobicContact CB-CD1 4.05Å; A69-L75 HydrophobicContact CB-CD2 3.73Å; A69-L75 HydrophobicContact CB-CG 3.84Å; A69-L75 WeakPolarHBondContact O-CD1 3.4Å; A69-Y95 PolarHBondContact N-O 2.89Å; A69-T96 CarbonylContact O-C 3.57Å; A69-T96 VanDerWaalsContact O-CA 3.31Å; A69-T96 WeakPolarHBondContact O-CA 3.4Å; A69-A97 CarbonylContact C-O 3.59Å; A69-A97 PolarHBondContact O-N 2.88Å
70R96.4Very high98Very high170 Ų17047.9 Ų47.964%0.64223%0.232SC*.SBendtrans-87.8-34.9-177.3-66.2176.5-63.7170.73.4114.3T96 D98R70-T96 VanDerWaalsContact O-CG2 3.29Å; R70-T96 WeakPolarHBondContact O-CG2 3.23Å; R70-D98 HydrophobicContact CG-CB 4.22Å
71N96.5Very high98.1Very high86 Ų8643.3 Ų43.346%0.4622%0.217SC..  trans-95117.7-173.6-178.8-65.4000109.3D73 A74 L75N71-D73 PolarHBondContact OD1-N 3.4Å; N71-D73 VanDerWaalsContact OD1-N 3.09Å; N71-A74 HydrophobicContact CB-CB 4.16Å; N71-A74 WeakPolarHBondContact OD1-CB 3.26Å; N71-A74 PolarHBondContact OD1-N 2.78Å; N71-L75 WeakPolarHBondContact O-CG 3.37Å; N71-L75 PolarHBondContact O-N 3.44Å
72A97.3Very high98.1Very high36 Ų3641.1 Ų41.130%0.29821%0.209SC..Hα-helixtrans-65-44.3-177.200000112.1A74 L75 E76A72-A74 PolarHBondContact O-N 3.46Å; A72-L75 WeakPolarHBondContact O-CB 3.27Å; A72-L75 PolarHBondContact O-N 3.33Å; A72-L75 VanDerWaalsContact O-N 3.1Å; A72-E76 PolarHBondContact O-N 2.92Å
73D97.9Very high98.1Very high118 Ų11845.9 Ų45.963%0.63122%0.223SC*.Hα-helixtrans-61.2-44.7-178.5-51.9-20000111.5N71 L75 E76 Q77N71-D73 PolarHBondContact OD1-N 3.4Å; N71-D73 VanDerWaalsContact OD1-N 3.09Å; D73-L75 VanDerWaalsContact C-N 3.31Å; D73-L75 PolarHBondContact O-N 3.13Å; D73-E76 PolarHBondContact O-N 3.23Å; D73-Q77 WeakPolarHBondContact O-CB 3.3Å; D73-Q77 PolarHBondContact O-N 3.35Å
74A97.5Very high98.1Very high29 Ų2953.3 Ų53.324%0.2426%0.262CS..Hα-helixtrans-66.2-32.9176.600000112.5N71 A72 T78N71-A74 HydrophobicContact CB-CB 4.16Å; N71-A74 WeakPolarHBondContact OD1-CB 3.26Å; N71-A74 PolarHBondContact OD1-N 2.78Å; A72-A74 PolarHBondContact O-N 3.46Å; A74-T78 VanDerWaalsContact O-CB 3.32Å; A74-T78 WeakPolarHBondContact O-CB 3.49Å; A74-T78 PolarHBondContact O-N 3.28Å; A74-T78 VanDerWaalsContact O-N 3.11Å; A74-T78 PolarHBondContact O-OG1 2.9Å
75L98.4Very high98Very high0 Ų053.6 Ų53.60%027%0.268CS..Hα-helixtrans-68.9-45.1173.7-80.2167.2000111.4I67 A69 N71 A72 D73 T78 A79 W94 Y95I67-L75 HydrophobicContact CB-CD2 4.25Å; I67-L75 HydrophobicContact CD1-CD2 3.72Å; I67-L75 HydrophobicContact CG1-CD2 3.73Å; A69-L75 HydrophobicContact CB-CD1 4.05Å; A69-L75 HydrophobicContact CB-CD2 3.73Å; A69-L75 HydrophobicContact CB-CG 3.84Å; A69-L75 WeakPolarHBondContact O-CD1 3.4Å; N71-L75 WeakPolarHBondContact O-CG 3.37Å; N71-L75 PolarHBondContact O-N 3.44Å; A72-L75 WeakPolarHBondContact O-CB 3.27Å; A72-L75 PolarHBondContact O-N 3.33Å; A72-L75 VanDerWaalsContact O-N 3.1Å; D73-L75 VanDerWaalsContact C-N 3.31Å; D73-L75 PolarHBondContact O-N 3.13Å; L75-T78 PolarHBondContact O-N 3.42Å; L75-A79 VanDerWaalsContact O-CB 3.29Å; L75-A79 WeakPolarHBondContact O-CB 3.1Å; L75-A79 PolarHBondContact O-N 3.23Å; L75-W94 HydrophobicContact CB-CB 4.3Å; L75-W94 HydrophobicContact CB-CD2 4.31Å; L75-W94 HydrophobicContact CB-CE3 3.99Å; L75-W94 HydrophobicContact CB-CG 4.48Å; L75-W94 HydrophobicContact CD1-CE3 4.15Å; L75-W94 HydrophobicContact CD2-CB 4.28Å; L75-Y95 WeakPolarHBondContact CD1-O 3.32Å
76E98.1Very high98Very high90 Ų9055.3 Ų55.342%0.42128%0.281SS..Hα-helixtrans-63.4-49.2-180-175.1162.5-137.300110.8A72 D73 T78 A79 E80A72-E76 PolarHBondContact O-N 2.92Å; D73-E76 PolarHBondContact O-N 3.23Å; E76-T78 VanDerWaalsContact C-N 3.31Å; E76-T78 PolarHBondContact O-N 3.15Å; E76-A79 WeakPolarHBondContact O-CB 3.36Å; E76-A79 PolarHBondContact O-N 3.35Å; E76-A79 VanDerWaalsContact O-N 3.09Å; E76-E80 WeakPolarHBondContact O-CG 3.36Å; E76-E80 PolarHBondContact O-N 3.06Å
77Q98.3Very high97.8Very high113 Ų11357.2 Ų57.253%0.52830%0.3SS..Hα-helixtrans-56.3-45.5174.6-175.9-176.35.400111.6D73 E80 E81D73-Q77 WeakPolarHBondContact O-CB 3.3Å; D73-Q77 PolarHBondContact O-N 3.35Å; Q77-E80 PolarHBondContact O-N 3.07Å; Q77-E81 PolarHBondContact O-N 3.4Å; Q77-E81 VanDerWaalsContact O-N 3.12Å
78T98.6Very high97.5Very high2 Ų266.9 Ų66.91%0.01235%0.345CS..Hα-helixtrans-65.9-40.6177.8-60.80000111.3S47 K52 I67 A74 L75 E76 E80 E81 L82S47-T78 PolarHBondContact O-OG1 3.17Å; K52-T78 HydrophobicContact CB-CG2 4.37Å; K52-T78 HydrophobicContact CD-CG2 4.08Å; K52-T78 HydrophobicContact CG-CG2 3.85Å; I67-T78 HydrophobicContact CD1-CG2 3.79Å; A74-T78 VanDerWaalsContact O-CB 3.32Å; A74-T78 WeakPolarHBondContact O-CB 3.49Å; A74-T78 PolarHBondContact O-N 3.28Å; A74-T78 VanDerWaalsContact O-N 3.11Å; A74-T78 PolarHBondContact O-OG1 2.9Å; L75-T78 PolarHBondContact O-N 3.42Å; E76-T78 VanDerWaalsContact C-N 3.31Å; E76-T78 PolarHBondContact O-N 3.15Å; T78-E80 VanDerWaalsContact C-N 3.29Å; T78-E80 PolarHBondContact O-N 3.28Å; T78-E81 PolarHBondContact O-N 3.07Å; T78-L82 HydrophobicContact CG2-CD1 4.17Å; T78-L82 HydrophobicContact CG2-CG 4.26Å; T78-L82 VanDerWaalsContact O-CG 3.22Å; T78-L82 WeakPolarHBondContact O-CG 3.48Å; T78-L82 PolarHBondContact O-N 3.29Å
79A98.4Very high97.3Very high0 Ų070 Ų700%038%0.378CS..Hα-helixtrans-63-36.1177.600000112L75 E76 L82 R83 I92 W94L75-A79 VanDerWaalsContact O-CB 3.29Å; L75-A79 WeakPolarHBondContact O-CB 3.1Å; L75-A79 PolarHBondContact O-N 3.23Å; E76-A79 WeakPolarHBondContact O-CB 3.36Å; E76-A79 PolarHBondContact O-N 3.35Å; E76-A79 VanDerWaalsContact O-N 3.09Å; A79-L82 PolarHBondContact O-N 3.16Å; A79-R83 VanDerWaalsContact O-CG 3.25Å; A79-R83 WeakPolarHBondContact O-CG 3.33Å; A79-R83 PolarHBondContact O-N 3.29Å; A79-I92 HydrophobicContact CB-CG2 4.09Å; A79-W94 HydrophobicContact CB-CB 4.49Å; A79-W94 HydrophobicContact CB-CG 4.22Å
80E98.3Very high97.3Very high104 Ų10471.3 Ų71.349%0.48638%0.381SS..Hα-helixtrans-62.9-48.4172-70.3-179.3165.700111.9E76 Q77 T78 L82 R83 L84E76-E80 WeakPolarHBondContact O-CG 3.36Å; E76-E80 PolarHBondContact O-N 3.06Å; Q77-E80 PolarHBondContact O-N 3.07Å; T78-E80 VanDerWaalsContact C-N 3.29Å; T78-E80 PolarHBondContact O-N 3.28Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 3.13Å; E80-R83 PolarHBondContact O-N 3.18Å; E80-R83 VanDerWaalsContact O-N 3.13Å; E80-L84 WeakPolarHBondContact O-CG 3.23Å; E80-L84 PolarHBondContact O-N 2.78Å
81E98.4Very high97.4Very high60 Ų6068.6 Ų68.628%0.2837%0.374SS..Hα-helixtrans-59.2-39.5175.7-70.2178.8-145.400112.3K52 Q77 T78 L84 A85K52-E81 WeakPolarHBondContact CE-OE2 3.48Å; K52-E81 IonicContact NZ-OE1 3.89Å; K52-E81 PolarHBondContact NZ-OE1 3.1Å; K52-E81 IonicContact NZ-OE2 2.9Å; K52-E81 PolarHBondContact NZ-OE2 2.93Å; Q77-E81 PolarHBondContact O-N 3.4Å; Q77-E81 VanDerWaalsContact O-N 3.12Å; T78-E81 PolarHBondContact O-N 3.07Å; E81-L84 PolarHBondContact O-N 2.94Å; E81-A85 PolarHBondContact O-N 2.85Å; E81-A85 VanDerWaalsContact O-N 3.14Å
82L98.6Very high97.5Very high0 Ų065.3 Ų65.30%036%0.357CS..Hα-helixtrans-64.9-43.3174.9-68176.5000111.6A55 L56 V59 V65 I67 T78 A79 E80 L84 A85 S86 I92A55-L82 HydrophobicContact CB-CD1 3.94Å; A55-L82 HydrophobicContact CB-CD2 3.69Å; A55-L82 HydrophobicContact CB-CG 4.44Å; L56-L82 HydrophobicContact CB-CD2 4.33Å; L56-L82 HydrophobicContact CD2-CD2 3.86Å; L56-L82 HydrophobicContact CG-CD2 3.86Å; V59-L82 HydrophobicContact CG2-CB 4.19Å; V59-L82 HydrophobicContact CG2-CD2 3.84Å; V59-L82 HydrophobicContact CG2-CG 4.48Å; V65-L82 HydrophobicContact CG1-CD1 4.24Å; I67-L82 HydrophobicContact CD1-CD1 4.08Å; I67-L82 HydrophobicContact CG2-CD1 4.19Å; T78-L82 HydrophobicContact CG2-CD1 4.17Å; T78-L82 HydrophobicContact CG2-CG 4.26Å; T78-L82 VanDerWaalsContact O-CG 3.22Å; T78-L82 WeakPolarHBondContact O-CG 3.48Å; T78-L82 PolarHBondContact O-N 3.29Å; A79-L82 PolarHBondContact O-N 3.16Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 3.13Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.41Å; L82-A85 CarbonylContact O-C 3.51Å; L82-A85 PolarHBondContact O-N 2.77Å; L82-S86 WeakPolarHBondContact O-CB 3.48Å; L82-S86 PolarHBondContact O-N 2.99Å; L82-I92 HydrophobicContact CB-CD1 4.08Å; L82-I92 HydrophobicContact CB-CG1 4.23Å; L82-I92 HydrophobicContact CB-CG2 3.93Å; L82-I92 HydrophobicContact CD1-CG2 4.05Å
83R98.2Very high97.5Very high112 Ų11265.8 Ų65.842%0.42335%0.352SS..Hα-helixtrans-62.8-41.3176.7-73.8172.9-166.1131.1-0.8111.7A79 E80 A85 S86 I92A79-R83 VanDerWaalsContact O-CG 3.25Å; A79-R83 WeakPolarHBondContact O-CG 3.33Å; A79-R83 PolarHBondContact O-N 3.29Å; E80-R83 PolarHBondContact O-N 3.18Å; E80-R83 VanDerWaalsContact O-N 3.13Å; R83-A85 PolarHBondContact O-N 2.67Å; R83-S86 WeakPolarHBondContact CA-OG 3.5Å; R83-S86 WeakPolarHBondContact O-CB 3.49Å; R83-S86 PolarHBondContact O-N 2.74Å; R83-S86 VanDerWaalsContact O-N 3.1Å; R83-S86 PolarHBondContact O-OG 3.37Å; R83-I92 HydrophobicContact CG-CB 3.97Å; R83-I92 HydrophobicContact CG-CG1 3.84Å; R83-I92 HydrophobicContact CG-CG2 4.46Å
84L97.8Very high97.5Very high157 Ų15764.1 Ų64.182%0.82234%0.337SS*.Hα-helixtrans-62.6-31.7175.9-70173.8000112.7E80 E81 L82E80-L84 WeakPolarHBondContact O-CG 3.23Å; E80-L84 PolarHBondContact O-N 2.78Å; E81-L84 PolarHBondContact O-N 2.94Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.41Å
85A97.3Very high97.6Very high36 Ų3663.2 Ų63.230%0.29833%0.328SS..Hα-helixtrans-86.4-7.6176.300000114L56 V59 E81 L82 R83L56-A85 HydrophobicContact CD2-CB 4.27Å; V59-A85 HydrophobicContact CG1-CB 4.2Å; E81-A85 PolarHBondContact O-N 2.85Å; E81-A85 VanDerWaalsContact O-N 3.14Å; L82-A85 CarbonylContact O-C 3.51Å; L82-A85 PolarHBondContact O-N 2.77Å; R83-A85 PolarHBondContact O-N 2.67Å
86S97.4Very high97.6Very high37 Ų3766.7 Ų66.726%0.25935%0.349SS..  trans-84.8144.6-173.372.70000112.8L82 R83L82-S86 WeakPolarHBondContact O-CB 3.48Å; L82-S86 PolarHBondContact O-N 2.99Å; R83-S86 WeakPolarHBondContact CA-OG 3.5Å; R83-S86 WeakPolarHBondContact O-CB 3.49Å; R83-S86 PolarHBondContact O-N 2.74Å; R83-S86 VanDerWaalsContact O-N 3.1Å; R83-S86 PolarHBondContact O-OG 3.37Å
87G94.8Very high97.5Very high39 Ų3963.5 Ų63.540%0.40234%0.338SS..  trans-83.7175.1169.800000112.6G89 Q90G87-G89 PolarHBondContact O-N 2.93Å; G87-Q90 PolarHBondContact O-N 2.66Å
88E93.2Very high97.4Very high204 Ų20460.7 Ų60.795%0.95333%0.327SS*.THydrogen-bonded Turntrans-58.5133.5-177.8-170.3176-174.800112.4Q90E88-Q90 VanDerWaalsContact C-N 3.26Å; E88-Q90 PolarHBondContact O-N 2.71Å
89G93.8Very high97.3Very high66 Ų6661 Ų6168%0.6833%0.328SS*.THydrogen-bonded Turntrans81.2-10.2176.600000115.7G87G87-G89 PolarHBondContact O-N 2.93Å
90Q97.9Very high97.1Very high38 Ų3862.8 Ų62.818%0.17834%0.34CS..  trans-67.7140174.2-71.2179.6-104.900111.1V59 A63 D64 G87 E88V59-Q90 PolarHBondContact O-NE2 3.05Å; A63-Q90 PolarHBondContact O-NE2 3.05Å; D64-Q90 WeakPolarHBondContact OD1-CA 3.23Å; G87-Q90 PolarHBondContact O-N 2.66Å; E88-Q90 VanDerWaalsContact C-N 3.26Å; E88-Q90 PolarHBondContact O-N 2.71Å
91K98.2Very high96.7Very high113 Ų11361.9 Ų61.949%0.49134%0.336SS..  trans-110.6133-179.2-58.3178.1-173.71730110.6D64 V65 F93D64-K91 CarbonylContact C-O 3.56Å; D64-K91 WeakPolarHBondContact CA-O 3.38Å; D64-K91 HydrophobicContact CB-CB 4.4Å; D64-K91 PolarHBondContact OD1-N 3.44Å; V65-K91 PolarHBondContact N-O 3.35Å; K91-F93 HydrophobicContact CB-CD2 4.28Å; K91-F93 HydrophobicContact CB-CE2 3.48Å; K91-F93 VanDerWaalsContact CB-CE2 3.48Å; K91-F93 HydrophobicContact CB-CZ 3.9Å; K91-F93 HydrophobicContact CD-CE2 4.13Å; K91-F93 HydrophobicContact CD-CZ 3.96Å; K91-F93 HydrophobicContact CG-CE2 4.45Å
92I98.5Very high96.5Very high18 Ų1860.8 Ų60.89%0.09234%0.335CS..EExtended strand (participates in β ladder)trans-117.6117.2177.4-52.6-58.3000108.9V59 V65 A79 L82 R83V59-I92 HydrophobicContact CG2-CD1 3.56Å; V65-I92 HydrophobicContact CB-CD1 4.09Å; V65-I92 WeakPolarHBondContact O-CA 3.27Å; A79-I92 HydrophobicContact CB-CG2 4.09Å; L82-I92 HydrophobicContact CB-CD1 4.08Å; L82-I92 HydrophobicContact CB-CG1 4.23Å; L82-I92 HydrophobicContact CB-CG2 3.93Å; L82-I92 HydrophobicContact CD1-CG2 4.05Å; R83-I92 HydrophobicContact CG-CB 3.97Å; R83-I92 HydrophobicContact CG-CG1 3.84Å; R83-I92 HydrophobicContact CG-CG2 4.46Å
93F98.4Very high96.4Very high45 Ų4565.6 Ų65.620%0.19735%0.353CS..EExtended strand (participates in β ladder)trans-115.2152175.7-54.4-88.4000110.4V65 S66 I67 K91 Y95 G117V65-F93 PolarHBondContact O-N 3.42Å; S66-F93 WeakPolarHBondContact CA-O 3.34Å; I67-F93 PolarHBondContact N-O 3.12Å; K91-F93 HydrophobicContact CB-CD2 4.28Å; K91-F93 HydrophobicContact CB-CE2 3.48Å; K91-F93 VanDerWaalsContact CB-CE2 3.48Å; K91-F93 HydrophobicContact CB-CZ 3.9Å; K91-F93 HydrophobicContact CD-CE2 4.13Å; K91-F93 HydrophobicContact CD-CZ 3.96Å; K91-F93 HydrophobicContact CG-CE2 4.45Å; F93-Y95 HydrophobicContact CB-CE2 3.61Å; F93-G117 VanDerWaalsContact CE2-CA 3.49Å
94W98.4Very high96.3Very high83 Ų8366.2 Ų66.231%0.31436%0.361SS..EExtended strand (participates in β ladder)trans-142.3146174.360.3-95000110.4I67 L75 A79I67-W94 HydrophobicContact CD1-CB 4.26Å; I67-W94 HydrophobicContact CG1-CB 3.73Å; I67-W94 WeakPolarHBondContact O-CA 3.32Å; L75-W94 HydrophobicContact CB-CB 4.3Å; L75-W94 HydrophobicContact CB-CD2 4.31Å; L75-W94 HydrophobicContact CB-CE3 3.99Å; L75-W94 HydrophobicContact CB-CG 4.48Å; L75-W94 HydrophobicContact CD1-CE3 4.15Å; L75-W94 HydrophobicContact CD2-CB 4.28Å; A79-W94 HydrophobicContact CB-CB 4.49Å; A79-W94 HydrophobicContact CB-CG 4.22Å
95Y98.3Very high96.2Very high11 Ų1165.3 Ų65.34%0.04335%0.347CS..EExtended strand (participates in β ladder)trans-136.5121.5-174.1-60.1-89.6000110.4I67 I68 A69 L75 F93 A97 L109 K112 I113 E116I67-Y95 PolarHBondContact O-N 3.09Å; I68-Y95 WeakPolarHBondContact CA-O 3.41Å; A69-Y95 PolarHBondContact N-O 2.89Å; L75-Y95 WeakPolarHBondContact CD1-O 3.32Å; F93-Y95 HydrophobicContact CB-CE2 3.61Å; Y95-A97 PolarHBondContact O-N 3.5Å; Y95-L109 HydrophobicContact CD1-CD1 4.1Å; Y95-L109 HydrophobicContact CG-CD1 4.24Å; Y95-K112 HydrophobicContact CD1-CD 4.44Å; Y95-K112 HydrophobicContact CE1-CD 4.25Å; Y95-K112 HydrophobicContact CE1-CG 4.32Å; Y95-I113 HydrophobicContact CD1-CG1 4.05Å; Y95-I113 HydrophobicContact CD2-CD1 3.91Å; Y95-I113 HydrophobicContact CD2-CG1 3.72Å; Y95-I113 HydrophobicContact CE1-CG1 3.91Å; Y95-I113 HydrophobicContact CE2-CB 4.36Å; Y95-I113 HydrophobicContact CE2-CD1 4.21Å; Y95-I113 HydrophobicContact CE2-CG1 3.58Å; Y95-I113 HydrophobicContact CE2-CG2 4.33Å; Y95-I113 HydrophobicContact CG-CD1 4.19Å; Y95-I113 HydrophobicContact CG-CG1 3.97Å; Y95-E116 WeakPolarHBondContact CE1-OE2 3.44Å; Y95-E116 PolarHBondContact OH-OE2 2.91Å
96T98Very high96.2Very high73 Ų7364.2 Ų64.245%0.44834%0.335SS..EExtended strand (participates in β ladder)trans-79.5117.7171.9-55.30000109.7A69 R70A69-T96 CarbonylContact O-C 3.57Å; A69-T96 VanDerWaalsContact O-CA 3.31Å; A69-T96 WeakPolarHBondContact O-CA 3.4Å; R70-T96 VanDerWaalsContact O-CG2 3.29Å; R70-T96 WeakPolarHBondContact O-CG2 3.23Å
97A97.5Very high96.2Very high23 Ų2363.4 Ų63.419%0.1933%0.33CS..  trans-157.3144174.900000111.9I68 A69 Y95 L99 L109I68-A97 HydrophobicContact CG2-CB 4.01Å; A69-A97 CarbonylContact C-O 3.59Å; A69-A97 PolarHBondContact O-N 2.88Å; Y95-A97 PolarHBondContact O-N 3.5Å; A97-L99 HydrophobicContact CB-CD2 4.47Å; A97-L109 HydrophobicContact CB-CD2 3.55Å
98D96.4Very high96.3Very high54 Ų5467 Ų6729%0.28934%0.336SS..  trans-90104.4161.5-173.5-8.9000109.5R70 S100 E101R70-D98 HydrophobicContact CG-CB 4.22Å; D98-S100 VanDerWaalsContact CG-OG 3.22Å; D98-S100 PolarHBondContact O-N 3.16Å; D98-S100 VanDerWaalsContact O-N 3.13Å; D98-S100 WeakPolarHBondContact OD1-CA 3.3Å; D98-S100 VanDerWaalsContact OD1-CB 3.29Å; D98-S100 WeakPolarHBondContact OD1-CB 3.46Å; D98-S100 PolarHBondContact OD1-N 3.12Å; D98-S100 PolarHBondContact OD1-OG 3.4Å; D98-S100 PolarHBondContact OD2-OG 2.81Å; D98-E101 HydrophobicContact CB-CG 3.91Å; D98-E101 WeakPolarHBondContact O-CG 3.3Å; D98-E101 PolarHBondContact O-N 3.28Å
99L96.1Very high96.5Very high9 Ų958.4 Ų58.45%0.04730%0.297CS..THydrogen-bonded Turntrans-67.8-9180-63.2178.7000112.6T44 I68 A97 M106 L109 V127 T153 I157T44-L99 HydrophobicContact CG2-CD1 3.87Å; I68-L99 HydrophobicContact CG2-CD1 4.18Å; I68-L99 HydrophobicContact CG2-CD2 4.1Å; I68-L99 HydrophobicContact CG2-CG 4.18Å; A97-L99 HydrophobicContact CB-CD2 4.47Å; L99-M106 HydrophobicContact CB-SD 4.31Å; L99-M106 HydrophobicContact CD2-CG 4.05Å; L99-M106 HydrophobicContact CD2-SD 4.45Å; L99-M106 WeakPolarHBondContact O-CE 3.5Å; L99-L109 HydrophobicContact CD2-CD2 3.94Å; L99-V127 HydrophobicContact CD1-CB 4.41Å; L99-V127 HydrophobicContact CD1-CG1 4Å; L99-T153 HydrophobicContact CB-CG2 3.92Å; L99-T153 WeakPolarHBondContact O-CG2 3.32Å; L99-I157 HydrophobicContact CD1-CD1 3.95Å; L99-I157 HydrophobicContact CD2-CD1 4.06Å
100S92.6Very high96.7Very high36 Ų3655.3 Ų55.325%0.25227%0.265SS..THydrogen-bonded Turntrans-87.41.7175.277.30000114.1D98 K148D98-S100 VanDerWaalsContact CG-OG 3.22Å; D98-S100 PolarHBondContact O-N 3.16Å; D98-S100 VanDerWaalsContact O-N 3.13Å; D98-S100 WeakPolarHBondContact OD1-CA 3.3Å; D98-S100 VanDerWaalsContact OD1-CB 3.29Å; D98-S100 WeakPolarHBondContact OD1-CB 3.46Å; D98-S100 PolarHBondContact OD1-N 3.12Å; D98-S100 PolarHBondContact OD1-OG 3.4Å; D98-S100 PolarHBondContact OD2-OG 2.81Å; S100-K148 WeakPolarHBondContact O-CD 3.45Å; S100-K148 WeakPolarHBondContact O-CE 3.4Å; S100-K148 PolarHBondContact O-NZ 2.88Å
101E91.4Very high96.7Very high86 Ų8661.1 Ų61.140%0.40229%0.285SS..SBendtrans-71.7-78.3-176.9-69.7179.3152.900113.1D98 R105 K148D98-E101 HydrophobicContact CB-CG 3.91Å; D98-E101 WeakPolarHBondContact O-CG 3.3Å; D98-E101 PolarHBondContact O-N 3.28Å; E101-R105 IonicContact OE1-NH1 3.67Å; E101-R105 PolarHBondContact OE1-NH1 2.92Å; E101-R105 WeakPolarHBondContact OE2-CD 3.45Å; E101-R105 IonicContact OE2-CZ 2.9Å; E101-R105 IonicContact OE2-NE 3.43Å; E101-R105 IonicContact OE2-NH1 3.54Å; E101-R105 PolarHBondContact OE2-NH1 3.43Å; E101-K148 PolarHBondContact O-NZ 3.32Å
102S94.4Very high96.7Very high37 Ų3760.8 Ų60.826%0.25928%0.283SS..  trans-147.8155.4-177.678.60000113.1Q104 R105 M106S102-Q104 VanDerWaalsContact C-N 3.25Å; S102-Q104 PolarHBondContact O-N 3.24Å; S102-R105 PolarHBondContact O-N 2.68Å; S102-R105 WeakPolarHBondContact OG-CG 3.37Å; S102-R105 PolarHBondContact OG-N 3.2Å; S102-R105 VanDerWaalsContact OG-N 3.17Å; S102-M106 PolarHBondContact O-N 2.94Å; S102-M106 VanDerWaalsContact O-N 3.12Å
103W95.5Very high96.7Very high100 Ų10059.9 Ų59.938%0.37928%0.279SS..Hα-helixtrans-58.4-39.8176.1-167.9-69.7000112.1S107 A155 C156 K159W103-S107 WeakPolarHBondContact O-CB 3.39Å; W103-S107 PolarHBondContact O-N 3.44Å; W103-S107 PolarHBondContact O-OG 2.91Å; W103-A155 HydrophobicContact CH2-CB 4.48Å; W103-C156 HydrophobicContact CD2-CB 3.79Å; W103-C156 VanDerWaalsContact CD2-SG 3.59Å; W103-C156 VanDerWaalsContact CE2-SG 3.52Å; W103-C156 HydrophobicContact CE3-CB 3.79Å; W103-C156 HydrophobicContact CG-CB 4.46Å; W103-C156 HydrophobicContact CH2-CB 3.88Å; W103-C156 HydrophobicContact CZ2-CB 3.86Å; W103-C156 HydrophobicContact CZ3-CB 3.84Å; W103-K159 HydrophobicContact CZ2-CB 4.43Å; W103-K159 HydrophobicContact CZ2-CD 3.75Å
104Q96.7Very high96.6Very high126 Ų12659.5 Ų59.559%0.58928%0.277SS*.Hα-helixtrans-65.4-49.4-179.3-67.878.6-0.200110.9S102 M106 S107 E108S102-Q104 VanDerWaalsContact C-N 3.25Å; S102-Q104 PolarHBondContact O-N 3.24Å; Q104-M106 VanDerWaalsContact C-N 3.34Å; Q104-M106 PolarHBondContact O-N 2.76Å; Q104-S107 WeakPolarHBondContact O-CA 3.33Å; Q104-S107 WeakPolarHBondContact O-CB 3.12Å; Q104-S107 PolarHBondContact O-N 3.11Å; Q104-E108 WeakPolarHBondContact O-CG 3.47Å; Q104-E108 PolarHBondContact O-N 3.07Å
105R96.3Very high96.6Very high138 Ų13862.7 Ų62.752%0.52130%0.3SS..Hα-helixtrans-61.6-41.1178.3-75.2-172.6177.8-177.60.8112.1E101 S102 S107 E108 L109E101-R105 IonicContact OE1-NH1 3.67Å; E101-R105 PolarHBondContact OE1-NH1 2.92Å; E101-R105 WeakPolarHBondContact OE2-CD 3.45Å; E101-R105 IonicContact OE2-CZ 2.9Å; E101-R105 IonicContact OE2-NE 3.43Å; E101-R105 IonicContact OE2-NH1 3.54Å; E101-R105 PolarHBondContact OE2-NH1 3.43Å; S102-R105 PolarHBondContact O-N 2.68Å; S102-R105 WeakPolarHBondContact OG-CG 3.37Å; S102-R105 PolarHBondContact OG-N 3.2Å; S102-R105 VanDerWaalsContact OG-N 3.17Å; R105-S107 VanDerWaalsContact C-N 3.33Å; R105-S107 PolarHBondContact O-N 3.37Å; R105-E108 PolarHBondContact O-N 3.18Å; R105-L109 WeakPolarHBondContact O-CB 3.29Å; R105-L109 PolarHBondContact O-N 3.34Å
106M97.2Very high96.5Very high12 Ų1266.7 Ų66.76%0.05932%0.319CS..Hα-helixtrans-60.9-42.1172.7-75.8-169.6-82.100112.1L99 S102 Q104 L109 M110 T153 C156 I157L99-M106 HydrophobicContact CB-SD 4.31Å; L99-M106 HydrophobicContact CD2-CG 4.05Å; L99-M106 HydrophobicContact CD2-SD 4.45Å; L99-M106 WeakPolarHBondContact O-CE 3.5Å; S102-M106 PolarHBondContact O-N 2.94Å; S102-M106 VanDerWaalsContact O-N 3.12Å; Q104-M106 VanDerWaalsContact C-N 3.34Å; Q104-M106 PolarHBondContact O-N 2.76Å; M106-L109 PolarHBondContact O-N 2.83Å; M106-M110 WeakPolarHBondContact O-CG 3.43Å; M106-M110 PolarHBondContact O-N 3.16Å; M106-T153 HydrophobicContact SD-CG2 4.14Å; M106-C156 VanDerWaalsContact CB-SG 3.6Å; M106-C156 HydrophobicContact CE-CB 3.77Å; M106-C156 HydrophobicContact SD-CB 4.07Å; M106-I157 HydrophobicContact SD-CG1 4.39Å
107S95.6Very high96.4Very high20 Ų2063.6 Ų63.614%0.1430%0.302CS..Hα-helixtrans-65.8-38.7178.5-62.10000112.4W103 Q104 R105 M110 R111 H160W103-S107 WeakPolarHBondContact O-CB 3.39Å; W103-S107 PolarHBondContact O-N 3.44Å; W103-S107 PolarHBondContact O-OG 2.91Å; Q104-S107 WeakPolarHBondContact O-CA 3.33Å; Q104-S107 WeakPolarHBondContact O-CB 3.12Å; Q104-S107 PolarHBondContact O-N 3.11Å; R105-S107 VanDerWaalsContact C-N 3.33Å; R105-S107 PolarHBondContact O-N 3.37Å; S107-M110 PolarHBondContact O-N 2.86Å; S107-R111 WeakPolarHBondContact O-CG 3.4Å; S107-R111 PolarHBondContact O-N 2.87Å; S107-H160 PolarHBondContact O-CE1 3.33Å
108E97.4Very high96.3Very high116 Ų11663.6 Ų63.654%0.54230%0.304SS..Hα-helixtrans-66-42.8174.6-72.2165.2179.900111.6Q104 R105 M110 R111 K112Q104-E108 WeakPolarHBondContact O-CG 3.47Å; Q104-E108 PolarHBondContact O-N 3.07Å; R105-E108 PolarHBondContact O-N 3.18Å; E108-M110 VanDerWaalsContact C-N 3.33Å; E108-M110 PolarHBondContact O-N 3.03Å; E108-R111 PolarHBondContact O-N 3.3Å; E108-K112 PolarHBondContact O-N 3.43Å
109L98.1Very high96.3Very high22 Ų2263.8 Ų63.812%0.11531%0.308CS..Hα-helixtrans-58.4-44.8174.2179.563.1000111.3I68 Y95 A97 L99 R105 M106 R111 K112 I113I68-L109 HydrophobicContact CD1-CD2 3.99Å; I68-L109 HydrophobicContact CG2-CD2 4.12Å; Y95-L109 HydrophobicContact CD1-CD1 4.1Å; Y95-L109 HydrophobicContact CG-CD1 4.24Å; A97-L109 HydrophobicContact CB-CD2 3.55Å; L99-L109 HydrophobicContact CD2-CD2 3.94Å; R105-L109 WeakPolarHBondContact O-CB 3.29Å; R105-L109 PolarHBondContact O-N 3.34Å; M106-L109 PolarHBondContact O-N 2.83Å; L109-R111 VanDerWaalsContact C-N 3.32Å; L109-R111 PolarHBondContact O-N 3.34Å; L109-K112 WeakPolarHBondContact O-CB 3.3Å; L109-K112 PolarHBondContact O-N 2.9Å; L109-I113 HydrophobicContact CD1-CD1 4.12Å; L109-I113 HydrophobicContact CD1-CG1 4.26Å; L109-I113 HydrophobicContact CG-CD1 3.91Å; L109-I113 HydrophobicContact CG-CG1 4.43Å; L109-I113 VanDerWaalsContact O-CG1 3.28Å; L109-I113 WeakPolarHBondContact O-CG1 3.36Å; L109-I113 PolarHBondContact O-N 3.09Å
110M98.1Very high96.4Very high2 Ų263.4 Ų63.41%0.0131%0.307CS..Hα-helixtrans-61.7-39.3178.3-66.8-50.610000112.5L42 I68 M106 S107 E108 I113 E114 I157 H160 V161L42-M110 HydrophobicContact CD2-CE 4.39Å; L42-M110 HydrophobicContact CD2-SD 3.68Å; I68-M110 HydrophobicContact CD1-CE 3.71Å; M106-M110 WeakPolarHBondContact O-CG 3.43Å; M106-M110 PolarHBondContact O-N 3.16Å; S107-M110 PolarHBondContact O-N 2.86Å; E108-M110 VanDerWaalsContact C-N 3.33Å; E108-M110 PolarHBondContact O-N 3.03Å; M110-I113 HydrophobicContact CE-CD1 3.76Å; M110-I113 PolarHBondContact O-N 3.31Å; M110-E114 PolarHBondContact O-N 2.79Å; M110-I157 HydrophobicContact CE-CD1 4.36Å; M110-I157 HydrophobicContact CE-CG1 4.1Å; M110-I157 HydrophobicContact CE-CG2 4.46Å; M110-I157 HydrophobicContact CG-CG1 4.44Å; M110-I157 HydrophobicContact CG-CG2 4.41Å; M110-I157 HydrophobicContact SD-CB 4.28Å; M110-I157 HydrophobicContact SD-CG1 4.1Å; M110-I157 HydrophobicContact SD-CG2 3.57Å; M110-I157 VanDerWaalsContact SD-CG2 3.57Å; M110-H160 HydrophobicContact CB-CB 4.05Å; M110-H160 WeakPolarHBondContact CB-CD2 3.2Å; M110-H160 HydrophobicContact CG-CB 4Å; M110-V161 HydrophobicContact SD-CG2 4.41Å
111R97.3Very high96.6Very high160 Ų16062 Ų6260%0.60430%0.296SS*.Hα-helixtrans-62.2-43.8174.6-66.5177.9-178.7147.8-0.4111.6S107 E108 L109 E114 L115 H160S107-R111 WeakPolarHBondContact O-CG 3.4Å; S107-R111 PolarHBondContact O-N 2.87Å; E108-R111 PolarHBondContact O-N 3.3Å; L109-R111 VanDerWaalsContact C-N 3.32Å; L109-R111 PolarHBondContact O-N 3.34Å; R111-E114 PolarHBondContact O-N 3.15Å; R111-L115 VanDerWaalsContact O-CB 3.27Å; R111-L115 WeakPolarHBondContact O-CB 3.3Å; R111-L115 PolarHBondContact O-N 3.24Å; R111-H160 WeakPolarHBondContact CG-CE1 3.41Å
112K98.2Very high96.9Very high105 Ų10557.9 Ų57.946%0.45728%0.277SS..Hα-helixtrans-60-47.2177.4-177.9-177177.7-176.30111.1Y95 E108 L109 L115 E116Y95-K112 HydrophobicContact CD1-CD 4.44Å; Y95-K112 HydrophobicContact CE1-CD 4.25Å; Y95-K112 HydrophobicContact CE1-CG 4.32Å; E108-K112 PolarHBondContact O-N 3.43Å; L109-K112 WeakPolarHBondContact O-CB 3.3Å; L109-K112 PolarHBondContact O-N 2.9Å; K112-L115 PolarHBondContact O-N 3.35Å; K112-E116 WeakPolarHBondContact CE-OE1 3.16Å; K112-E116 WeakPolarHBondContact CG-OE1 3.11Å; K112-E116 IonicContact NZ-OE1 2.98Å; K112-E116 WeakPolarHBondContact O-CG 3.41Å; K112-E116 PolarHBondContact O-N 3.32Å
113I98.4Very high97.1Very high0 Ų056.1 Ų56.10%026%0.264CS..Hα-helixtrans-60.8-47.8179.6-67.4174.7000111.2L42 I68 Y95 L109 M110 L115 E116 G117 V120L42-I113 HydrophobicContact CD1-CD1 3.94Å; L42-I113 HydrophobicContact CD1-CG2 4.25Å; L42-I113 HydrophobicContact CD2-CD1 4.36Å; L42-I113 HydrophobicContact CD2-CG2 4.44Å; I68-I113 HydrophobicContact CD1-CD1 3.59Å; I68-I113 HydrophobicContact CG1-CD1 3.98Å; Y95-I113 HydrophobicContact CD1-CG1 4.05Å; Y95-I113 HydrophobicContact CD2-CD1 3.91Å; Y95-I113 HydrophobicContact CD2-CG1 3.72Å; Y95-I113 HydrophobicContact CE1-CG1 3.91Å; Y95-I113 HydrophobicContact CE2-CB 4.36Å; Y95-I113 HydrophobicContact CE2-CD1 4.21Å; Y95-I113 HydrophobicContact CE2-CG1 3.58Å; Y95-I113 HydrophobicContact CE2-CG2 4.33Å; Y95-I113 HydrophobicContact CG-CD1 4.19Å; Y95-I113 HydrophobicContact CG-CG1 3.97Å; L109-I113 HydrophobicContact CD1-CD1 4.12Å; L109-I113 HydrophobicContact CD1-CG1 4.26Å; L109-I113 HydrophobicContact CG-CD1 3.91Å; L109-I113 HydrophobicContact CG-CG1 4.43Å; L109-I113 VanDerWaalsContact O-CG1 3.28Å; L109-I113 WeakPolarHBondContact O-CG1 3.36Å; L109-I113 PolarHBondContact O-N 3.09Å; M110-I113 HydrophobicContact CE-CD1 3.76Å; M110-I113 PolarHBondContact O-N 3.31Å; I113-L115 VanDerWaalsContact C-N 3.29Å; I113-L115 PolarHBondContact O-N 3.46Å; I113-E116 PolarHBondContact O-N 2.84Å; I113-G117 PolarHBondContact O-N 3.13Å; I113-V120 HydrophobicContact CG2-CG2 4.44Å
114E97.6Very high97.3Very high36 Ų3651.3 Ų51.317%0.16825%0.246CC..Hα-helixtrans-68.8-28179.4-72.6-164.1131.800113M110 R111 G118 V120 S164M110-E114 PolarHBondContact O-N 2.79Å; R111-E114 PolarHBondContact O-N 3.15Å; E114-G118 WeakPolarHBondContact CA-O 3.46Å; E114-G118 CarbonylContact O-C 3.5Å; E114-G118 VanDerWaalsContact O-C 3.28Å; E114-G118 WeakPolarHBondContact O-CA 3.49Å; E114-G118 PolarHBondContact O-N 2.93Å; E114-G118 VanDerWaalsContact O-N 3.14Å; E114-V120 HydrophobicContact CG-CG2 4.08Å; E114-V120 PolarHBondContact OE1-N 3.19Å; E114-S164 WeakPolarHBondContact OE1-CB 3.43Å; E114-S164 PolarHBondContact OE1-OG 3.5Å; E114-S164 WeakPolarHBondContact OE2-CB 3.3Å; E114-S164 PolarHBondContact OE2-OG 2.97Å
115L97.1Very high97.4Very high150 Ų15045.7 Ų45.779%0.78522%0.22SC*.Hα-helixtrans-70.6-42.3175.7-17866.5000112.1R111 K112 I113R111-L115 VanDerWaalsContact O-CB 3.27Å; R111-L115 WeakPolarHBondContact O-CB 3.3Å; R111-L115 PolarHBondContact O-N 3.24Å; K112-L115 PolarHBondContact O-N 3.35Å; I113-L115 VanDerWaalsContact C-N 3.29Å; I113-L115 PolarHBondContact O-N 3.46Å
116E97.4Very high97.5Very high95 Ų9540 Ų4044%0.44420%0.2SC..Hα-helixtrans-86.2-46.2-175.5-68.8173.2-176.500112.8Y95 K112 I113Y95-E116 WeakPolarHBondContact CE1-OE2 3.44Å; Y95-E116 PolarHBondContact OH-OE2 2.91Å; K112-E116 WeakPolarHBondContact CE-OE1 3.16Å; K112-E116 WeakPolarHBondContact CG-OE1 3.11Å; K112-E116 IonicContact NZ-OE1 2.98Å; K112-E116 WeakPolarHBondContact O-CG 3.41Å; K112-E116 PolarHBondContact O-N 3.32Å; I113-E116 PolarHBondContact O-N 2.84Å
117G95.1Very high97.5Very high9 Ų941 Ų419%0.09321%0.206CC..Hα-helixtrans-93-8.3-176.900000114.6F93 I113F93-G117 VanDerWaalsContact CE2-CA 3.49Å; I113-G117 PolarHBondContact O-N 3.13Å
118G95.8Very high97.5Very high23 Ų2341.7 Ų41.724%0.23722%0.218CC..  trans82.5174.3-169.600000112.6H40 E114H40-G118 PolarHBondContact CE1-O 3.02Å; H40-G118 PolarHBondContact ND1-O 3.4Å; E114-G118 WeakPolarHBondContact CA-O 3.46Å; E114-G118 CarbonylContact O-C 3.5Å; E114-G118 VanDerWaalsContact O-C 3.28Å; E114-G118 WeakPolarHBondContact O-CA 3.49Å; E114-G118 PolarHBondContact O-N 2.93Å; E114-G118 VanDerWaalsContact O-N 3.14Å
119P95.8Very high97.3Very high58 Ų5840.5 Ų40.538%0.37721%0.208SC..  trans-65.4139.2-170.228.7-36.5000112.3H40 R168H40-P119 WeakPolarHBondContact CB-O 3.31Å; P119-R168 VanDerWaalsContact CB-CZ 3.44Å
120V97.9Very high97.1Very high1 Ų140 Ų401%0.00621%0.206CC..  trans-73.7130.7-179.8176.70000110.1L42 I113 E114 I122 L123 V161 M165 R168L42-V120 HydrophobicContact CB-CG1 3.78Å; L42-V120 HydrophobicContact CB-CG2 3.94Å; L42-V120 HydrophobicContact CD2-CG2 4.02Å; I113-V120 HydrophobicContact CG2-CG2 4.44Å; E114-V120 HydrophobicContact CG-CG2 4.08Å; E114-V120 PolarHBondContact OE1-N 3.19Å; V120-I122 WeakPolarHBondContact CG1-O 3.4Å; V120-L123 HydrophobicContact CG1-CB 4.28Å; V120-V161 HydrophobicContact CB-CG1 3.99Å; V120-V161 HydrophobicContact CB-CG2 4.4Å; V120-V161 HydrophobicContact CG1-CG1 3.93Å; V120-M165 HydrophobicContact CG1-CE 4.5Å; V120-M165 WeakPolarHBondContact O-CE 3.33Å; V120-R168 PolarHBondContact O-NH2 3.21Å
121D97.2Very high97Very high5 Ų542 Ų423%0.02722%0.218CC..SBendtrans-110.4-28178.4-62.7-54.2000113Y39 H40 M165 R168 K174 R176 R177Y39-D121 HydrophobicContact CD1-CB 3.61Å; Y39-D121 HydrophobicContact CE1-CB 4.32Å; Y39-D121 HydrophobicContact CG-CB 4.46Å; H40-D121 PolarHBondContact O-N 2.84Å; D121-M165 VanDerWaalsContact C-CE 3.49Å; D121-M165 VanDerWaalsContact O-CE 3.27Å; D121-M165 WeakPolarHBondContact O-CE 3.44Å; D121-R168 IonicContact OD1-NH1 2.83Å; D121-R168 PolarHBondContact OD1-NH1 3.32Å; D121-K174 IonicContact OD1-NZ 2.66Å; D121-K174 WeakPolarHBondContact OD2-CE 3.48Å; D121-K174 IonicContact OD2-NZ 3.56Å; D121-K174 PolarHBondContact OD2-NZ 2.85Å; D121-R176 HydrophobicContact CB-CG 4.49Å; D121-R176 WeakPolarHBondContact O-CA 3.14Å; D121-R176 WeakPolarHBondContact O-CB 3.45Å; D121-R176 IonicContact OD1-NE 3.69Å; D121-R177 PolarHBondContact O-N 2.67Å
122I98.5Very high96.9Very high0 Ų035.2 Ų35.20%019%0.193CC..EExtended strand (participates in β ladder)trans-128.9117174.2-57.7-176.5000107.9I33 F36 Y39 H40 V41 L42 V120 I124 R177 V269I33-I122 HydrophobicContact CD1-CD1 4.21Å; F36-I122 HydrophobicContact CD1-CD1 3.96Å; F36-I122 HydrophobicContact CD2-CD1 4.18Å; F36-I122 HydrophobicContact CE1-CD1 3.87Å; F36-I122 HydrophobicContact CE2-CD1 4.08Å; F36-I122 HydrophobicContact CG-CD1 4.14Å; F36-I122 HydrophobicContact CZ-CD1 3.93Å; Y39-I122 HydrophobicContact CD1-CD1 4Å; Y39-I122 HydrophobicContact CD1-CG1 3.96Å; Y39-I122 HydrophobicContact CG-CD1 4.33Å; H40-I122 PolarHBondContact O-N 3.48Å; H40-I122 VanDerWaalsContact O-N 3.09Å; V41-I122 CarbonylContact C-O 3.48Å; V41-I122 VanDerWaalsContact CA-O 3.28Å; V41-I122 WeakPolarHBondContact CA-O 3.27Å; V41-I122 HydrophobicContact CB-CB 4.37Å; V41-I122 HydrophobicContact CG1-CB 4.26Å; V41-I122 HydrophobicContact CG1-CG2 4.03Å; V41-I122 HydrophobicContact CG2-CB 3.92Å; V41-I122 HydrophobicContact CG2-CD1 4.11Å; V41-I122 HydrophobicContact CG2-CG1 4.39Å; V41-I122 HydrophobicContact CG2-CG2 4.32Å; L42-I122 PolarHBondContact N-O 3.3Å; V120-I122 WeakPolarHBondContact CG1-O 3.4Å; I122-I124 HydrophobicContact CG2-CD1 3.78Å; I122-I124 HydrophobicContact CG2-CG1 4.3Å; I122-R177 CarbonylContact C-O 3.55Å; I122-R177 VanDerWaalsContact CA-O 3.3Å; I122-R177 WeakPolarHBondContact CA-O 3.44Å; I122-R177 HydrophobicContact CB-CB 4.39Å; I122-R177 HydrophobicContact CG1-CB 4.08Å; I122-R177 HydrophobicContact CG1-CG 4.33Å; I122-R177 HydrophobicContact CG2-CB 4.09Å; I122-V269 HydrophobicContact CG2-CG1 4.05Å
123L98.9Very high96.8Very high0 Ų030.9 Ų30.90%018%0.177CC..EExtended strand (participates in β ladder)trans-105.1128.2173.7169.862.1000109.6L42 V120 I157 V161 R177 V178 C179L42-L123 HydrophobicContact CB-CD1 4.3Å; L42-L123 HydrophobicContact CD2-CD1 4.06Å; L42-L123 HydrophobicContact CG-CD1 4.11Å; V120-L123 HydrophobicContact CG1-CB 4.28Å; L123-I157 HydrophobicContact CD1-CG2 3.66Å; L123-I157 HydrophobicContact CD2-CG2 3.83Å; L123-I157 HydrophobicContact CG-CG2 4.41Å; L123-V161 HydrophobicContact CB-CG1 4.31Å; L123-V161 HydrophobicContact CD2-CB 4.14Å; L123-V161 HydrophobicContact CD2-CG1 4.35Å; L123-V161 HydrophobicContact CD2-CG2 4.24Å; L123-R177 PolarHBondContact N-O 2.96Å; L123-V178 HydrophobicContact CB-CG1 4.38Å; L123-V178 HydrophobicContact CB-CG2 4.32Å; L123-V178 HydrophobicContact CD2-CG1 4.05Å; L123-V178 HydrophobicContact CG-CG1 4.34Å; L123-V178 CarbonylContact O-C 3.55Å; L123-V178 WeakPolarHBondContact O-CA 3.37Å; L123-C179 PolarHBondContact O-N 2.99Å
124I98.9Very high96.7Very high0 Ų031.4 Ų31.40%018%0.181CC..EExtended strand (participates in β ladder)trans-114.4102171.8-48.2-60.9000108.4V41 L42 I43 T44 I54 I122 N126 C179 V181 L266 V269V41-I124 HydrophobicContact CG1-CG1 4.17Å; L42-I124 PolarHBondContact O-N 2.84Å; I43-I124 HydrophobicContact CB-CB 4.41Å; I43-I124 HydrophobicContact CG1-CB 4.03Å; I43-I124 HydrophobicContact CG1-CG1 4.02Å; I43-I124 HydrophobicContact CG2-CB 4.29Å; I43-I124 HydrophobicContact CG2-CG2 4.4Å; T44-I124 PolarHBondContact N-O 3.39Å; I54-I124 HydrophobicContact CD1-CG2 3.85Å; I54-I124 HydrophobicContact CG2-CG1 4.07Å; I54-I124 HydrophobicContact CG2-CG2 4.3Å; I122-I124 HydrophobicContact CG2-CD1 3.78Å; I122-I124 HydrophobicContact CG2-CG1 4.3Å; I124-N126 HydrophobicContact CG2-CB 3.99Å; I124-N126 PolarHBondContact O-N 3.12Å; I124-N126 VanDerWaalsContact O-N 3.14Å; I124-C179 HydrophobicContact CD1-CB 3.52Å; I124-C179 HydrophobicContact CG2-CB 4.48Å; I124-V181 HydrophobicContact CG2-CG2 4.11Å; I124-L266 HydrophobicContact CD1-CD2 4.19Å; I124-V269 HydrophobicContact CD1-CG2 4.23Å
125N98.8Very high96.7Very high7 Ų734.8 Ų34.84%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-78.492.7169.5-63.4-73.3000108.6T44 A154 T158 C179 F180 V181T44-N125 WeakPolarHBondContact OG1-CA 3.36Å; N125-A154 HydrophobicContact CB-CB 3.83Å; N125-A154 WeakPolarHBondContact OD1-CA 3.42Å; N125-T158 PolarHBondContact ND2-OG1 2.85Å; N125-C179 WeakPolarHBondContact CB-O 3.45Å; N125-C179 PolarHBondContact N-O 2.72Å; N125-C179 PolarHBondContact ND2-O 3.36Å; N125-F180 HydrophobicContact CB-CD1 3.84Å; N125-F180 HydrophobicContact CB-CE1 4.37Å; N125-F180 VanDerWaalsContact ND2-CE1 3.3Å; N125-F180 WeakPolarHBondContact ND2-CE1 3.36Å; N125-V181 PolarHBondContact O-N 2.94Å
126N98.6Very high96.6Very high20 Ų2035.8 Ų35.811%0.10720%0.2CC..  trans-111-21.9-176.5163.789.3000113.9I43 T44 G45 I50 G51 I124 G128 V181I43-N126 HydrophobicContact CG2-CB 4.41Å; T44-N126 CarbonylContact O-C 3.46Å; T44-N126 WeakPolarHBondContact O-CB 3.29Å; T44-N126 PolarHBondContact O-ND2 3.29Å; T44-N126 PolarHBondContact OG1-N 3.39Å; G45-N126 PolarHBondContact O-ND2 3.33Å; I50-N126 WeakPolarHBondContact CG2-OD1 3.46Å; G51-N126 VanDerWaalsContact CA-ND2 3.3Å; G51-N126 WeakPolarHBondContact CA-ND2 3.39Å; G51-N126 PolarHBondContact N-ND2 3.24Å; I124-N126 HydrophobicContact CG2-CB 3.99Å; I124-N126 PolarHBondContact O-N 3.12Å; I124-N126 VanDerWaalsContact O-N 3.14Å; N126-G128 PolarHBondContact O-N 3.48Å; N126-V181 HydrophobicContact CB-CB 4.27Å; N126-V181 HydrophobicContact CB-CG2 3.73Å
127V96.8Very high96.6Very high31 Ų3136.3 Ų36.319%0.18821%0.206CC..  trans-56.2135.2179.3720000111.5T44 L99 L149T44-V127 PolarHBondContact O-N 3.17Å; T44-V127 VanDerWaalsContact O-N 3.15Å; T44-V127 WeakPolarHBondContact OG1-CG1 3.33Å; T44-V127 PolarHBondContact OG1-N 3.26Å; L99-V127 HydrophobicContact CD1-CB 4.41Å; L99-V127 HydrophobicContact CD1-CG1 4Å; V127-L149 HydrophobicContact CG2-CD1 3.86Å; V127-L149 HydrophobicContact CG2-CG 4.5Å
128G94.7Very high96.7Very high36 Ų3636.7 Ų36.737%0.37121%0.206SC..  trans177.3165.8174.100000112N126 N150N126-G128 PolarHBondContact O-N 3.48Å; G128-N150 WeakPolarHBondContact CA-OD1 3.34Å
129R93.9Very high96.8Very high91 Ų9142.2 Ų42.234%0.34322%0.223SC..  trans-149.2160.6172.680.9-170.3175.5166.4-3.3110.3D145 L149 N150 Y196 E237R129-D145 IonicContact NH2-OD2 2.7Å; R129-D145 PolarHBondContact NH2-OD2 3.42Å; R129-L149 HydrophobicContact CB-CD2 4.15Å; R129-L149 HydrophobicContact CG-CD2 3.77Å; R129-N150 PolarHBondContact N-OD1 2.85Å; R129-N150 PolarHBondContact O-ND2 2.76Å; R129-N150 PolarHBondContact O-OD1 3.27Å; R129-Y196 WeakPolarHBondContact O-CD2 3.33Å; R129-Y196 WeakPolarHBondContact O-CE2 3.22Å; R129-E237 WeakPolarHBondContact CA-OE1 3.28Å
130S94.9Very high96.9Very high10 Ų1046.5 Ų46.57%0.0724%0.238CC..  trans-117.3131.9173.2-169.70000110.8Q132 Y196 E237S130-Q132 VanDerWaalsContact OG-CG 3.24Å; S130-Q132 WeakPolarHBondContact OG-CG 3.47Å; S130-Y196 WeakPolarHBondContact OG-CD2 3.39Å; S130-Y196 VanDerWaalsContact OG-CG 3.25Å; S130-E237 PolarHBondContact N-OE1 3.03Å
131V94.9Very high96.9Very high44 Ų4451.7 Ų51.727%0.26726%0.262SS..  trans-109.9118.5161.7-179.30000106.8L138 Q146V131-L138 HydrophobicContact CG1-CD2 4.19Å; V131-Q146 PolarHBondContact O-NE2 3.37Å
132Q95.5Very high96.8Very high18 Ų1852.8 Ų52.88%0.08427%0.268CS..  trans-112.6114.8-170.4-54.917630.800109.8S130 G192 Y193 T241 P242 T245S130-Q132 VanDerWaalsContact OG-CG 3.24Å; S130-Q132 WeakPolarHBondContact OG-CG 3.47Å; Q132-G192 CarbonylContact C-O 3.54Å; Q132-G192 VanDerWaalsContact CA-O 3.24Å; Q132-G192 WeakPolarHBondContact CA-O 3.1Å; Q132-Y193 HydrophobicContact CB-CE2 4.29Å; Q132-Y193 HydrophobicContact CG-CD2 4.15Å; Q132-Y193 HydrophobicContact CG-CE2 3.71Å; Q132-Y193 PolarHBondContact NE2-OH 3.14Å; Q132-Y193 PolarHBondContact OE1-OH 3.42Å; Q132-T241 HydrophobicContact CB-CG2 4.39Å; Q132-T241 VanDerWaalsContact CD-OG1 3.31Å; Q132-T241 PolarHBondContact OE1-OG1 2.91Å; Q132-P242 VanDerWaalsContact O-CD 3.25Å; Q132-P242 WeakPolarHBondContact O-CD 3.22Å; Q132-T245 HydrophobicContact CB-CG2 4.5Å
133A96.2Very high96.8Very high14 Ų1456.5 Ų56.512%0.11629%0.285CS..  trans-161156176.300000110.8D137 L138 G192A133-D137 HydrophobicContact CB-CB 3.98Å; A133-L138 HydrophobicContact CB-CD2 3.8Å; A133-L138 HydrophobicContact CB-CG 3.99Å; A133-G192 PolarHBondContact N-O 3.44Å; A133-G192 CarbonylContact O-C 3.49Å; A133-G192 VanDerWaalsContact O-CA 3.29Å; A133-G192 WeakPolarHBondContact O-CA 2.95Å
134P95.8Very high96.8Very high12 Ų1263.6 Ų63.68%0.07832%0.316CS..  trans-53156.3166.6-21.733.6000111.2E136 D137 L138 Y191P134-E136 VanDerWaalsContact C-N 3.27Å; P134-E136 HydrophobicContact CB-CG 4.33Å; P134-E136 PolarHBondContact O-N 3.47Å; P134-D137 WeakPolarHBondContact CD-OD2 3.4Å; P134-D137 WeakPolarHBondContact CG-OD2 3.45Å; P134-D137 PolarHBondContact O-N 2.91Å; P134-L138 PolarHBondContact O-N 2.73Å; P134-Y191 HydrophobicContact CG-CE1 4.15Å; P134-Y191 VanDerWaalsContact CG-OH 3.28Å; P134-Y191 WeakPolarHBondContact CG-OH 3.31Å
135L97.1Very high96.7Very high107 Ų10766.8 Ų66.856%0.5633%0.333SS*.G310 helixtrans-57.4-40.5-174.7176.162.4000112.5D137 L138 F143 T194L135-D137 PolarHBondContact O-N 2.88Å; L135-L138 PolarHBondContact O-N 2.71Å; L135-F143 HydrophobicContact CD1-CZ 3.7Å; L135-T194 HydrophobicContact CD1-CG2 4.17Å
136E96.5Very high96.6Very high171 Ų17166.4 Ų66.480%0.79933%0.331SS*.G310 helixtrans-66.2-22.8179.162.6-135.7-123.900114.5P134P134-E136 VanDerWaalsContact C-N 3.27Å; P134-E136 HydrophobicContact CB-CG 4.33Å; P134-E136 PolarHBondContact O-N 3.47Å
137D97Very high96.5Very high106 Ų10668.4 Ų68.457%0.56734%0.34SS*.G310 helixtrans-97-12.8-177.6-66.4-32.6000112.6A133 P134 L135A133-D137 HydrophobicContact CB-CB 3.98Å; P134-D137 WeakPolarHBondContact CD-OD2 3.4Å; P134-D137 WeakPolarHBondContact CG-OD2 3.45Å; P134-D137 PolarHBondContact O-N 2.91Å; L135-D137 PolarHBondContact O-N 2.88Å
138L96.7Very high96.6Very high17 Ų1770.7 Ų70.79%0.08935%0.348CS..  trans-76.7134.5174.8-72.4171.6000110.3V131 A133 P134 L135 D142 F143 A195V131-L138 HydrophobicContact CG1-CD2 4.19Å; A133-L138 HydrophobicContact CB-CD2 3.8Å; A133-L138 HydrophobicContact CB-CG 3.99Å; P134-L138 PolarHBondContact O-N 2.73Å; L135-L138 PolarHBondContact O-N 2.71Å; L138-D142 HydrophobicContact CD2-CB 4.04Å; L138-F143 HydrophobicContact CB-CE2 3.79Å; L138-F143 HydrophobicContact CB-CZ 4.26Å; L138-F143 HydrophobicContact CD1-CE2 4.23Å; L138-F143 HydrophobicContact CD1-CZ 3.92Å; L138-A195 HydrophobicContact CD1-CB 4.11Å
139K97.6Very high96.7Very high139 Ų13970.1 Ų70.160%0.60434%0.336SS*.  trans-82.7157.5172-54.1178.1-178.1173.40110.1E141 D142 F143K139-E141 VanDerWaalsContact CB-OE2 3.23Å; K139-E141 WeakPolarHBondContact CB-OE2 3.4Å; K139-E141 PolarHBondContact O-N 3.28Å; K139-D142 PolarHBondContact N-OD2 2.94Å; K139-D142 WeakPolarHBondContact O-CB 3.32Å; K139-D142 PolarHBondContact O-N 2.8Å; K139-F143 WeakPolarHBondContact O-CD2 3.38Å
140E97.7Very high96.9Very high148 Ų14865.9 Ų65.969%0.69232%0.32SS*.Hα-helixtrans-55.8-38.7175.1-65.8-175.3-175.600111.3D142 F143 F144E140-D142 VanDerWaalsContact C-N 3.25Å; E140-D142 PolarHBondContact O-N 2.93Å; E140-F143 WeakPolarHBondContact O-CB 3.22Å; E140-F143 PolarHBondContact O-N 2.83Å; E140-F143 VanDerWaalsContact O-N 3.15Å; E140-F144 HydrophobicContact CB-CE2 4.5Å; E140-F144 WeakPolarHBondContact O-CD2 3.3Å; E140-F144 PolarHBondContact O-N 3.3Å
141E97.7Very high97Very high109 Ų10968.3 Ų68.351%0.50933%0.328SS..Hα-helixtrans-62.2-31.2178.7-59.678.9-168.400112.6K139 F143 F144 D145K139-E141 VanDerWaalsContact CB-OE2 3.23Å; K139-E141 WeakPolarHBondContact CB-OE2 3.4Å; K139-E141 PolarHBondContact O-N 3.28Å; E141-F143 PolarHBondContact O-N 3.12Å; E141-F144 PolarHBondContact O-N 2.9Å; E141-D145 VanDerWaalsContact O-CB 3.25Å; E141-D145 WeakPolarHBondContact O-CB 3.43Å; E141-D145 PolarHBondContact O-N 3.31Å
142D97.1Very high97.2Very high29 Ų2969.5 Ų69.516%0.15533%0.333CS..Hα-helixtrans-64.4-30.2178.9-65.1-46.2000111.8L138 K139 E140 Q146L138-D142 HydrophobicContact CD2-CB 4.04Å; K139-D142 PolarHBondContact N-OD2 2.94Å; K139-D142 WeakPolarHBondContact O-CB 3.32Å; K139-D142 PolarHBondContact O-N 2.8Å; E140-D142 VanDerWaalsContact C-N 3.25Å; E140-D142 PolarHBondContact O-N 2.93Å; D142-Q146 VanDerWaalsContact O-CB 3.29Å; D142-Q146 WeakPolarHBondContact O-CB 3.49Å; D142-Q146 WeakPolarHBondContact O-CG 3.3Å; D142-Q146 PolarHBondContact O-N 3.16Å; D142-Q146 PolarHBondContact O-NE2 2.93Å; D142-Q146 VanDerWaalsContact O-NE2 3.13Å
143F97.9Very high97.3Very high78 Ų7868.7 Ų68.734%0.34233%0.329SS..Hα-helixtrans-72-48.7173.9-68.2-93.6000111.2L135 L138 K139 E140 E141 M147 T194 A195L135-F143 HydrophobicContact CD1-CZ 3.7Å; L138-F143 HydrophobicContact CB-CE2 3.79Å; L138-F143 HydrophobicContact CB-CZ 4.26Å; L138-F143 HydrophobicContact CD1-CE2 4.23Å; L138-F143 HydrophobicContact CD1-CZ 3.92Å; K139-F143 WeakPolarHBondContact O-CD2 3.38Å; E140-F143 WeakPolarHBondContact O-CB 3.22Å; E140-F143 PolarHBondContact O-N 2.83Å; E140-F143 VanDerWaalsContact O-N 3.15Å; E141-F143 PolarHBondContact O-N 3.12Å; F143-M147 VanDerWaalsContact O-CB 3.3Å; F143-M147 WeakPolarHBondContact O-CB 3.47Å; F143-M147 PolarHBondContact O-N 3.42Å; F143-M147 VanDerWaalsContact O-N 3.09Å; F143-T194 HydrophobicContact CE1-CG2 4.46Å; F143-A195 HydrophobicContact CD1-CB 3.67Å; F143-A195 HydrophobicContact CE1-CB 3.8Å; F143-A195 HydrophobicContact CG-CB 4.09Å; F143-A195 HydrophobicContact CZ-CB 4.31Å
144F97.5Very high97.4Very high149 Ų14968.2 Ų68.265%0.65433%0.325SS*.Hα-helixtrans-63.5-46.9179.9-69.7-69.2000111.5E140 E141 M147 K148E140-F144 HydrophobicContact CB-CE2 4.5Å; E140-F144 WeakPolarHBondContact O-CD2 3.3Å; E140-F144 PolarHBondContact O-N 3.3Å; E141-F144 PolarHBondContact O-N 2.9Å; F144-M147 PolarHBondContact O-N 3.27Å; F144-K148 WeakPolarHBondContact O-CB 3.45Å; F144-K148 PolarHBondContact O-N 3.34Å
145D96.9Very high97.5Very high66 Ų6668 Ų6835%0.35332%0.324SS..Hα-helixtrans-66.1-43.9-177-83.70.5000112.4R129 E141 K148 L149R129-D145 IonicContact NH2-OD2 2.7Å; R129-D145 PolarHBondContact NH2-OD2 3.42Å; E141-D145 VanDerWaalsContact O-CB 3.25Å; E141-D145 WeakPolarHBondContact O-CB 3.43Å; E141-D145 PolarHBondContact O-N 3.31Å; D145-K148 PolarHBondContact O-N 2.9Å; D145-L149 VanDerWaalsContact O-CB 3.27Å; D145-L149 WeakPolarHBondContact O-CB 3.32Å; D145-L149 PolarHBondContact O-N 3.04Å
146Q97.1Very high97.6Very high0 Ų062.9 Ų62.90%030%0.297CS..Hα-helixtrans-68.4-41.5178.8-71.3-175.195.700111.3V131 D142 K148 N150 Y196V131-Q146 PolarHBondContact O-NE2 3.37Å; D142-Q146 VanDerWaalsContact O-CB 3.29Å; D142-Q146 WeakPolarHBondContact O-CB 3.49Å; D142-Q146 WeakPolarHBondContact O-CG 3.3Å; D142-Q146 PolarHBondContact O-N 3.16Å; D142-Q146 PolarHBondContact O-NE2 2.93Å; D142-Q146 VanDerWaalsContact O-NE2 3.13Å; Q146-K148 VanDerWaalsContact C-N 3.34Å; Q146-N150 WeakPolarHBondContact O-CB 3.5Å; Q146-N150 PolarHBondContact O-N 2.85Å; Q146-N150 PolarHBondContact O-ND2 2.84Å; Q146-Y196 VanDerWaalsContact OE1-CB 3.32Å
147M97.9Very high97.7Very high62 Ų6254.8 Ų54.831%0.30526%0.259SS..Hα-helixtrans-63.8-42174.3-17258.767.500111.6F143 F144 Y151 L152 A202F143-M147 VanDerWaalsContact O-CB 3.3Å; F143-M147 WeakPolarHBondContact O-CB 3.47Å; F143-M147 PolarHBondContact O-N 3.42Å; F143-M147 VanDerWaalsContact O-N 3.09Å; F144-M147 PolarHBondContact O-N 3.27Å; M147-Y151 HydrophobicContact CG-CD1 4.38Å; M147-Y151 WeakPolarHBondContact O-CB 3.3Å; M147-Y151 PolarHBondContact O-N 3.26Å; M147-Y151 VanDerWaalsContact O-N 3.1Å; M147-Y151 HydrophobicContact SD-CD1 3.58Å; M147-Y151 VanDerWaalsContact SD-CD1 3.58Å; M147-Y151 HydrophobicContact SD-CG 4.01Å; M147-L152 PolarHBondContact O-N 3.09Å; M147-A202 HydrophobicContact SD-CB 4.19Å
148K97.2Very high97.7Very high79 Ų7949.7 Ų49.734%0.34323%0.232SC..Iπ-helixtrans-62.5-53.9178.4-168.7-179.9-162.6-170.70111S100 E101 F144 D145 Q146 L152 T153S100-K148 WeakPolarHBondContact O-CD 3.45Å; S100-K148 WeakPolarHBondContact O-CE 3.4Å; S100-K148 PolarHBondContact O-NZ 2.88Å; E101-K148 PolarHBondContact O-NZ 3.32Å; F144-K148 WeakPolarHBondContact O-CB 3.45Å; F144-K148 PolarHBondContact O-N 3.34Å; D145-K148 PolarHBondContact O-N 2.9Å; Q146-K148 VanDerWaalsContact C-N 3.34Å; K148-L152 WeakPolarHBondContact O-CB 3.35Å; K148-L152 PolarHBondContact O-N 2.97Å; K148-T153 WeakPolarHBondContact O-CG2 3.42Å; K148-T153 PolarHBondContact O-N 3.46Å; K148-T153 VanDerWaalsContact O-N 3.07Å
149L97.3Very high97.8Very high23 Ų2354.7 Ų54.712%0.1225%0.253CS..Iπ-helixtrans-71.5-45.7-174.9-173.161.4000112.7V127 R129 D145 T153V127-L149 HydrophobicContact CG2-CD1 3.86Å; V127-L149 HydrophobicContact CG2-CG 4.5Å; R129-L149 HydrophobicContact CB-CD2 4.15Å; R129-L149 HydrophobicContact CG-CD2 3.77Å; D145-L149 VanDerWaalsContact O-CB 3.27Å; D145-L149 WeakPolarHBondContact O-CB 3.32Å; D145-L149 PolarHBondContact O-N 3.04Å; L149-T153 HydrophobicContact CD1-CG2 4.23Å; L149-T153 WeakPolarHBondContact O-CG2 3.28Å; L149-T153 PolarHBondContact O-OG1 3.01Å
150N97.9Very high97.8Very high3 Ų349.8 Ų49.82%0.01623%0.232CC..Iπ-helixtrans-83-31.3-172.3-62.2-23.9000113G128 R129 Q146 S199G128-N150 WeakPolarHBondContact CA-OD1 3.34Å; R129-N150 PolarHBondContact N-OD1 2.85Å; R129-N150 PolarHBondContact O-ND2 2.76Å; R129-N150 PolarHBondContact O-OD1 3.27Å; Q146-N150 WeakPolarHBondContact O-CB 3.5Å; Q146-N150 PolarHBondContact O-N 2.85Å; Q146-N150 PolarHBondContact O-ND2 2.84Å; N150-S199 PolarHBondContact ND2-OG 3.14Å
151Y98.4Very high97.8Very high60 Ų6042.8 Ų42.824%0.23520%0.2CC..Iπ-helixtrans-113.3-56.4-175.8167.7-116.6000113.2M147 T153 A154 A155 A202 L203 F206M147-Y151 HydrophobicContact CG-CD1 4.38Å; M147-Y151 WeakPolarHBondContact O-CB 3.3Å; M147-Y151 PolarHBondContact O-N 3.26Å; M147-Y151 VanDerWaalsContact O-N 3.1Å; M147-Y151 HydrophobicContact SD-CD1 3.58Å; M147-Y151 VanDerWaalsContact SD-CD1 3.58Å; M147-Y151 HydrophobicContact SD-CG 4.01Å; Y151-T153 VanDerWaalsContact C-N 3.31Å; Y151-T153 PolarHBondContact O-N 2.74Å; Y151-A154 WeakPolarHBondContact O-CB 3.4Å; Y151-A154 PolarHBondContact O-N 2.93Å; Y151-A154 VanDerWaalsContact O-N 3.09Å; Y151-A155 HydrophobicContact CE2-CB 4.21Å; Y151-A155 PolarHBondContact O-N 3.26Å; Y151-A202 HydrophobicContact CD1-CB 4.22Å; Y151-A202 HydrophobicContact CD2-CB 3.93Å; Y151-A202 HydrophobicContact CE2-CB 4.4Å; Y151-A202 HydrophobicContact CG-CB 3.83Å; Y151-L203 HydrophobicContact CD2-CD2 4.26Å; Y151-F206 HydrophobicContact CE2-CB 3.88Å; Y151-F206 HydrophobicContact CE2-CD1 4.32Å; Y151-F206 HydrophobicContact CE2-CD2 4.41Å; Y151-F206 AromaticContact CE2-CG 3.97Å; Y151-F206 HydrophobicContact CE2-CG 3.97Å
152L98Very high97.7Very high70 Ų7038 Ų3837%0.36618%0.178SC..Iπ-helixtrans-65.6-32.6-171.9-66.2177.4000113M147 K148 A155 C156M147-L152 PolarHBondContact O-N 3.09Å; K148-L152 WeakPolarHBondContact O-CB 3.35Å; K148-L152 PolarHBondContact O-N 2.97Å; L152-A155 PolarHBondContact O-N 2.88Å; L152-C156 VanDerWaalsContact O-CB 3.32Å; L152-C156 WeakPolarHBondContact O-CB 3.36Å; L152-C156 PolarHBondContact O-N 3.07Å
153T98.2Very high97.6Very high1 Ų140.3 Ų40.31%0.00619%0.189CC..Hα-helixtrans-59.6-48.6171.965.50000111.3L99 M106 K148 L149 Y151 A155 C156 I157L99-T153 HydrophobicContact CB-CG2 3.92Å; L99-T153 WeakPolarHBondContact O-CG2 3.32Å; M106-T153 HydrophobicContact SD-CG2 4.14Å; K148-T153 WeakPolarHBondContact O-CG2 3.42Å; K148-T153 PolarHBondContact O-N 3.46Å; K148-T153 VanDerWaalsContact O-N 3.07Å; L149-T153 HydrophobicContact CD1-CG2 4.23Å; L149-T153 WeakPolarHBondContact O-CG2 3.28Å; L149-T153 PolarHBondContact O-OG1 3.01Å; Y151-T153 VanDerWaalsContact C-N 3.31Å; Y151-T153 PolarHBondContact O-N 2.74Å; T153-A155 VanDerWaalsContact C-N 3.35Å; T153-A155 PolarHBondContact O-N 3.47Å; T153-C156 PolarHBondContact O-N 3.45Å; T153-I157 WeakPolarHBondContact O-CB 3.33Å; T153-I157 WeakPolarHBondContact O-CG1 3.45Å; T153-I157 PolarHBondContact O-N 2.85Å
154A98.4Very high97.4Very high3 Ų337.5 Ų37.53%0.02518%0.18CC..Hα-helixtrans-63.8-41.6179.700000111.1N125 Y151 T158 F180 L203N125-A154 HydrophobicContact CB-CB 3.83Å; N125-A154 WeakPolarHBondContact OD1-CA 3.42Å; Y151-A154 WeakPolarHBondContact O-CB 3.4Å; Y151-A154 PolarHBondContact O-N 2.93Å; Y151-A154 VanDerWaalsContact O-N 3.09Å; A154-T158 WeakPolarHBondContact O-CB 3.5Å; A154-T158 PolarHBondContact O-N 2.89Å; A154-T158 PolarHBondContact O-OG1 2.8Å; A154-F180 HydrophobicContact CB-CD1 3.93Å; A154-F180 HydrophobicContact CB-CE1 3.94Å; A154-L203 HydrophobicContact CB-CD2 3.84Å
155A98.3Very high97.3Very high7 Ų730.4 Ų30.46%0.05815%0.148CC..Hα-helixtrans-62.5-45.2175.900000112.1W103 Y151 L152 T153 K159 F206W103-A155 HydrophobicContact CH2-CB 4.48Å; Y151-A155 HydrophobicContact CE2-CB 4.21Å; Y151-A155 PolarHBondContact O-N 3.26Å; L152-A155 PolarHBondContact O-N 2.88Å; T153-A155 VanDerWaalsContact C-N 3.35Å; T153-A155 PolarHBondContact O-N 3.47Å; A155-K159 VanDerWaalsContact O-CB 3.3Å; A155-K159 WeakPolarHBondContact O-CB 3.5Å; A155-K159 PolarHBondContact O-N 3.3Å; A155-F206 HydrophobicContact CB-CE1 4.16Å; A155-F206 HydrophobicContact CB-CZ 4.02Å
156C98Very high97.1Very high1 Ų129.8 Ų29.81%0.00714%0.142CC..Hα-helixtrans-64-53.7179.9179.20000112.3W103 M106 L152 T153 T158 K159 H160W103-C156 HydrophobicContact CD2-CB 3.79Å; W103-C156 VanDerWaalsContact CD2-SG 3.59Å; W103-C156 VanDerWaalsContact CE2-SG 3.52Å; W103-C156 HydrophobicContact CE3-CB 3.79Å; W103-C156 HydrophobicContact CG-CB 4.46Å; W103-C156 HydrophobicContact CH2-CB 3.88Å; W103-C156 HydrophobicContact CZ2-CB 3.86Å; W103-C156 HydrophobicContact CZ3-CB 3.84Å; M106-C156 VanDerWaalsContact CB-SG 3.6Å; M106-C156 HydrophobicContact CE-CB 3.77Å; M106-C156 HydrophobicContact SD-CB 4.07Å; L152-C156 VanDerWaalsContact O-CB 3.32Å; L152-C156 WeakPolarHBondContact O-CB 3.36Å; L152-C156 PolarHBondContact O-N 3.07Å; T153-C156 PolarHBondContact O-N 3.45Å; C156-T158 VanDerWaalsContact C-N 3.35Å; C156-T158 PolarHBondContact O-N 3.37Å; C156-K159 PolarHBondContact O-N 2.93Å; C156-H160 PolarHBondContact O-N 3.27Å
157I98.4Very high96.8Very high0 Ų039.3 Ų39.30%018%0.178CC..Hα-helixtrans-62.9-45.3-178.4-68.5169.5000110.1T44 L99 M106 M110 L123 T153 K159 H160 V161T44-I157 HydrophobicContact CG2-CD1 3.58Å; L99-I157 HydrophobicContact CD1-CD1 3.95Å; L99-I157 HydrophobicContact CD2-CD1 4.06Å; M106-I157 HydrophobicContact SD-CG1 4.39Å; M110-I157 HydrophobicContact CE-CD1 4.36Å; M110-I157 HydrophobicContact CE-CG1 4.1Å; M110-I157 HydrophobicContact CE-CG2 4.46Å; M110-I157 HydrophobicContact CG-CG1 4.44Å; M110-I157 HydrophobicContact CG-CG2 4.41Å; M110-I157 HydrophobicContact SD-CB 4.28Å; M110-I157 HydrophobicContact SD-CG1 4.1Å; M110-I157 HydrophobicContact SD-CG2 3.57Å; M110-I157 VanDerWaalsContact SD-CG2 3.57Å; L123-I157 HydrophobicContact CD1-CG2 3.66Å; L123-I157 HydrophobicContact CD2-CG2 3.83Å; L123-I157 HydrophobicContact CG-CG2 4.41Å; T153-I157 WeakPolarHBondContact O-CB 3.33Å; T153-I157 WeakPolarHBondContact O-CG1 3.45Å; T153-I157 PolarHBondContact O-N 2.85Å; I157-K159 PolarHBondContact O-N 3.07Å; I157-H160 PolarHBondContact O-N 2.99Å; I157-V161 HydrophobicContact CG2-CG2 4.35Å; I157-V161 WeakPolarHBondContact O-CG2 3.25Å; I157-V161 PolarHBondContact O-N 2.84Å
158T98.5Very high96.4Very high0 Ų038.9 Ų38.90%017%0.173CC..Hα-helixtrans-62.4-42.1178.3-59.40000111.7N125 A154 C156 H160 V161 L162 V178 F180 F206 L210N125-T158 PolarHBondContact ND2-OG1 2.85Å; A154-T158 WeakPolarHBondContact O-CB 3.5Å; A154-T158 PolarHBondContact O-N 2.89Å; A154-T158 PolarHBondContact O-OG1 2.8Å; C156-T158 VanDerWaalsContact C-N 3.35Å; C156-T158 PolarHBondContact O-N 3.37Å; T158-H160 VanDerWaalsContact C-N 3.3Å; T158-H160 PolarHBondContact O-N 3.44Å; T158-V161 PolarHBondContact O-N 3.24Å; T158-L162 HydrophobicContact CG2-CD1 3.59Å; T158-L162 HydrophobicContact CG2-CG 4.11Å; T158-L162 WeakPolarHBondContact O-CB 3.33Å; T158-L162 PolarHBondContact O-N 2.94Å; T158-V178 HydrophobicContact CG2-CG1 3.99Å; T158-F180 HydrophobicContact CG2-CZ 4.02Å; T158-F180 WeakPolarHBondContact OG1-CE1 3.39Å; T158-F206 HydrophobicContact CG2-CE1 4.32Å; T158-L210 HydrophobicContact CG2-CD1 3.64Å
159K98Very high95.4Very high122 Ų12235.6 Ų35.653%0.5316%0.161SC..Hα-helixtrans-56.7-45.6176.2-177-178.3-172.6170.30111.5W103 A155 C156 I157 I163W103-K159 HydrophobicContact CZ2-CB 4.43Å; W103-K159 HydrophobicContact CZ2-CD 3.75Å; A155-K159 VanDerWaalsContact O-CB 3.3Å; A155-K159 WeakPolarHBondContact O-CB 3.5Å; A155-K159 PolarHBondContact O-N 3.3Å; C156-K159 PolarHBondContact O-N 2.93Å; I157-K159 PolarHBondContact O-N 3.07Å; K159-I163 HydrophobicContact CG-CD1 4.13Å; K159-I163 WeakPolarHBondContact O-CD1 3.32Å; K159-I163 VanDerWaalsContact O-CG1 3.25Å; K159-I163 WeakPolarHBondContact O-CG1 3.39Å; K159-I163 PolarHBondContact O-N 2.95Å
160H97.3Very high94.2Very high35 Ų3540.1 Ų40.116%0.16219%0.194CC..Hα-helixtrans-62.8-55.2179.5-165.4101.4000111.4S107 M110 R111 C156 I157 T158 L162 I163 S164S107-H160 PolarHBondContact O-CE1 3.33Å; M110-H160 HydrophobicContact CB-CB 4.05Å; M110-H160 WeakPolarHBondContact CB-CD2 3.2Å; M110-H160 HydrophobicContact CG-CB 4Å; R111-H160 WeakPolarHBondContact CG-CE1 3.41Å; C156-H160 PolarHBondContact O-N 3.27Å; I157-H160 PolarHBondContact O-N 2.99Å; T158-H160 VanDerWaalsContact C-N 3.3Å; T158-H160 PolarHBondContact O-N 3.44Å; H160-L162 PolarHBondContact O-N 2.78Å; H160-I163 PolarHBondContact O-N 3.05Å; H160-S164 PolarHBondContact O-N 3.43Å
161V97.2Very high92.5Very high1 Ų143.7 Ų43.71%0.00621%0.214CC..Hα-helixtrans-62.8-41.9-176.9171.80000110.9M110 V120 L123 I157 T158 I163 S164 M165M110-V161 HydrophobicContact SD-CG2 4.41Å; V120-V161 HydrophobicContact CB-CG1 3.99Å; V120-V161 HydrophobicContact CB-CG2 4.4Å; V120-V161 HydrophobicContact CG1-CG1 3.93Å; L123-V161 HydrophobicContact CB-CG1 4.31Å; L123-V161 HydrophobicContact CD2-CB 4.14Å; L123-V161 HydrophobicContact CD2-CG1 4.35Å; L123-V161 HydrophobicContact CD2-CG2 4.24Å; I157-V161 HydrophobicContact CG2-CG2 4.35Å; I157-V161 WeakPolarHBondContact O-CG2 3.25Å; I157-V161 PolarHBondContact O-N 2.84Å; T158-V161 PolarHBondContact O-N 3.24Å; V161-I163 PolarHBondContact O-N 2.81Å; V161-S164 WeakPolarHBondContact O-CB 3.03Å; V161-S164 PolarHBondContact O-N 3.06Å; V161-S164 VanDerWaalsContact O-N 3.17Å; V161-M165 HydrophobicContact CG1-CE 3.56Å; V161-M165 HydrophobicContact CG1-CG 4.09Å; V161-M165 HydrophobicContact CG1-SD 3.99Å; V161-M165 VanDerWaalsContact O-CG 3.29Å; V161-M165 WeakPolarHBondContact O-CG 3.36Å; V161-M165 PolarHBondContact O-N 2.69Å
162L96.5Very high90.8Very high9 Ų947.3 Ų47.35%0.04723%0.233CC..Hα-helixtrans-63.4-38.2178.7-96.3172.1000113.2T158 H160 S164 M165 K166 L210 C214 V219T158-L162 HydrophobicContact CG2-CD1 3.59Å; T158-L162 HydrophobicContact CG2-CG 4.11Å; T158-L162 WeakPolarHBondContact O-CB 3.33Å; T158-L162 PolarHBondContact O-N 2.94Å; H160-L162 PolarHBondContact O-N 2.78Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 PolarHBondContact O-N 2.76Å; L162-M165 HydrophobicContact CD2-SD 4.49Å; L162-M165 PolarHBondContact O-N 3.12Å; L162-K166 WeakPolarHBondContact O-CB 3.24Å; L162-K166 VanDerWaalsContact O-CG 3.3Å; L162-K166 WeakPolarHBondContact O-CG 3.34Å; L162-K166 PolarHBondContact O-N 3.37Å; L162-L210 HydrophobicContact CD1-CD1 4.06Å; L162-L210 HydrophobicContact CD1-CD2 3.73Å; L162-L210 HydrophobicContact CD1-CG 4.44Å; L162-C214 VanDerWaalsContact CD1-SG 3.54Å; L162-C214 HydrophobicContact CD2-CB 4.47Å; L162-C214 WeakPolarHBondContact CD2-SG 3.3Å; L162-V219 HydrophobicContact CD2-CB 4.27Å; L162-V219 HydrophobicContact CD2-CG1 3.8Å; L162-V219 HydrophobicContact CD2-CG2 4.29Å
163I95.1Very high89.5Confident77 Ų7751.4 Ų51.440%0.39525%0.254SS..Hα-helixtrans-61.6-43.7175.7-70.8166.6000109.8K159 H160 V161 R167K159-I163 HydrophobicContact CG-CD1 4.13Å; K159-I163 WeakPolarHBondContact O-CD1 3.32Å; K159-I163 VanDerWaalsContact O-CG1 3.25Å; K159-I163 WeakPolarHBondContact O-CG1 3.39Å; K159-I163 PolarHBondContact O-N 2.95Å; H160-I163 PolarHBondContact O-N 3.05Å; V161-I163 PolarHBondContact O-N 2.81Å; I163-R167 VanDerWaalsContact O-CG 3.3Å; I163-R167 WeakPolarHBondContact O-CG 3.38Å; I163-R167 PolarHBondContact O-N 3.34Å; I163-R167 VanDerWaalsContact O-N 3.12Å
164S93.6Very high89Confident20 Ų2053.7 Ų53.714%0.1426%0.264CS..Hα-helixtrans-60.2-48.5173.2163.80000111.7E114 H160 V161 L162 K166 R167 R168E114-S164 WeakPolarHBondContact OE1-CB 3.43Å; E114-S164 PolarHBondContact OE1-OG 3.5Å; E114-S164 WeakPolarHBondContact OE2-CB 3.3Å; E114-S164 PolarHBondContact OE2-OG 2.97Å; H160-S164 PolarHBondContact O-N 3.43Å; V161-S164 WeakPolarHBondContact O-CB 3.03Å; V161-S164 PolarHBondContact O-N 3.06Å; V161-S164 VanDerWaalsContact O-N 3.17Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 PolarHBondContact O-N 2.76Å; S164-K166 PolarHBondContact O-N 3.19Å; S164-R167 PolarHBondContact O-N 3.48Å; S164-R168 WeakPolarHBondContact O-CG 3.44Å; S164-R168 PolarHBondContact O-N 3.07Å; S164-R168 PolarHBondContact O-NE 3.41Å; S164-R168 VanDerWaalsContact O-NE 3.17Å; S164-R168 PolarHBondContact OG-NE 3.06Å; S164-R168 PolarHBondContact OG-NH2 3.41Å
165M95.2Very high88.7Confident0 Ų054.5 Ų54.50%027%0.268CS..Hα-helixtrans-60-46.3178.7-68.9-176.8165.500112.6V120 D121 V161 L162 R168 A169 R176 V178 V219V120-M165 HydrophobicContact CG1-CE 4.5Å; V120-M165 WeakPolarHBondContact O-CE 3.33Å; D121-M165 VanDerWaalsContact C-CE 3.49Å; D121-M165 VanDerWaalsContact O-CE 3.27Å; D121-M165 WeakPolarHBondContact O-CE 3.44Å; V161-M165 HydrophobicContact CG1-CE 3.56Å; V161-M165 HydrophobicContact CG1-CG 4.09Å; V161-M165 HydrophobicContact CG1-SD 3.99Å; V161-M165 VanDerWaalsContact O-CG 3.29Å; V161-M165 WeakPolarHBondContact O-CG 3.36Å; V161-M165 PolarHBondContact O-N 2.69Å; L162-M165 HydrophobicContact CD2-SD 4.49Å; L162-M165 PolarHBondContact O-N 3.12Å; M165-R168 CarbonylContact O-C 3.28Å; M165-R168 PolarHBondContact O-N 3.03Å; M165-A169 PolarHBondContact O-N 3.34Å; M165-R176 HydrophobicContact CE-CB 4.11Å; M165-R176 PolarHBondContact O-NH1 3.1Å; M165-R176 HydrophobicContact SD-CB 4.03Å; M165-V178 HydrophobicContact CE-CG2 4.36Å; M165-V178 HydrophobicContact SD-CG2 4.13Å; M165-V219 HydrophobicContact CB-CG2 3.88Å; M165-V219 HydrophobicContact SD-CG1 3.8Å; M165-V219 HydrophobicContact SD-CG2 4.04Å
166K92.4Very high88.5Confident52 Ų5254.4 Ų54.423%0.22627%0.266CS..Hα-helixtrans-65.5-37.8-179.4-72.4-176.4176-179.30111.9L162 S164 R168 A169 E213 Y217L162-K166 WeakPolarHBondContact O-CB 3.24Å; L162-K166 VanDerWaalsContact O-CG 3.3Å; L162-K166 WeakPolarHBondContact O-CG 3.34Å; L162-K166 PolarHBondContact O-N 3.37Å; S164-K166 PolarHBondContact O-N 3.19Å; K166-R168 VanDerWaalsContact C-N 3.26Å; K166-R168 PolarHBondContact O-N 3.14Å; K166-A169 WeakPolarHBondContact O-CB 3.34Å; K166-A169 PolarHBondContact O-N 2.96Å; K166-A169 VanDerWaalsContact O-N 3.15Å; K166-E213 WeakPolarHBondContact CE-O 3.37Å; K166-E213 PolarHBondContact NZ-O 3.44Å; K166-E213 IonicContact NZ-OE2 2.76Å; K166-Y217 HydrophobicContact CB-CD1 4.02Å; K166-Y217 HydrophobicContact CB-CE1 4.24Å; K166-Y217 HydrophobicContact CB-CG 4.26Å; K166-Y217 HydrophobicContact CD-CD2 3.9Å; K166-Y217 HydrophobicContact CD-CE2 3.85Å; K166-Y217 HydrophobicContact CD-CG 4.29Å; K166-Y217 HydrophobicContact CG-CD1 3.98Å; K166-Y217 HydrophobicContact CG-CD2 3.82Å; K166-Y217 HydrophobicContact CG-CE1 4.34Å; K166-Y217 HydrophobicContact CG-CE2 4.19Å; K166-Y217 HydrophobicContact CG-CG 3.71Å
167R91.3Very high88.5Confident201 Ų20154.3 Ų54.376%0.75827%0.266SS*.Hα-helixtrans-63.8-32.4175.3-75.3173.6179.5-175.1-0.4112.8I163 S164 A169I163-R167 VanDerWaalsContact O-CG 3.3Å; I163-R167 WeakPolarHBondContact O-CG 3.38Å; I163-R167 PolarHBondContact O-N 3.34Å; I163-R167 VanDerWaalsContact O-N 3.12Å; S164-R167 PolarHBondContact O-N 3.48Å; R167-A169 VanDerWaalsContact C-N 3.3Å
168R89Confident88.5Confident52 Ų5254.3 Ų54.320%0.19627%0.266CS..THydrogen-bonded Turntrans-88.69.2176.9-62.2177.3-69.5130-6113.1P119 V120 D121 S164 M165 K166 S170 D171 R176P119-R168 VanDerWaalsContact CB-CZ 3.44Å; V120-R168 PolarHBondContact O-NH2 3.21Å; D121-R168 IonicContact OD1-NH1 2.83Å; D121-R168 PolarHBondContact OD1-NH1 3.32Å; S164-R168 WeakPolarHBondContact O-CG 3.44Å; S164-R168 PolarHBondContact O-N 3.07Å; S164-R168 PolarHBondContact O-NE 3.41Å; S164-R168 VanDerWaalsContact O-NE 3.17Å; S164-R168 PolarHBondContact OG-NE 3.06Å; S164-R168 PolarHBondContact OG-NH2 3.41Å; M165-R168 CarbonylContact O-C 3.28Å; M165-R168 PolarHBondContact O-N 3.03Å; K166-R168 VanDerWaalsContact C-N 3.26Å; K166-R168 PolarHBondContact O-N 3.14Å; R168-S170 PolarHBondContact O-N 3.23Å; R168-D171 WeakPolarHBondContact O-CB 3.43Å; R168-D171 PolarHBondContact O-N 3.17Å; R168-R176 VanDerWaalsContact NH1-NE 3.2Å; R168-R176 PolarHBondContact O-NH2 2.94Å; R168-R176 VanDerWaalsContact O-NH2 3.07Å
169A76.7Confident88.6Confident11 Ų1154.3 Ų54.39%0.09127%0.266CS..THydrogen-bonded Turntrans-74.8-10.8-176.100000114M165 K166 R167 D171 Q172 Y217M165-A169 PolarHBondContact O-N 3.34Å; K166-A169 WeakPolarHBondContact O-CB 3.34Å; K166-A169 PolarHBondContact O-N 2.96Å; K166-A169 VanDerWaalsContact O-N 3.15Å; R167-A169 VanDerWaalsContact C-N 3.3Å; A169-D171 PolarHBondContact O-N 3.48Å; A169-Q172 WeakPolarHBondContact O-CG 3.28Å; A169-Q172 PolarHBondContact O-N 3.28Å; A169-Y217 HydrophobicContact CB-CD1 3.63Å; A169-Y217 HydrophobicContact CB-CG 4.3Å
170S71.3Confident88.6Confident117 Ų11748.5 Ų48.582%0.81824%0.24SC*.THydrogen-bonded Turntrans-57.7-27.1167.149.40000111.9R168 Q172R168-S170 PolarHBondContact O-N 3.23Å; S170-Q172 PolarHBondContact O-N 3.4Å
171D62.6Low88.7Confident78 Ų7847.2 Ų47.242%0.41724%0.235SC..SBendtrans-77.958.7166.3-17921.8000110.9R168 A169 L173 K174R168-D171 WeakPolarHBondContact O-CB 3.43Å; R168-D171 PolarHBondContact O-N 3.17Å; A169-D171 PolarHBondContact O-N 3.48Å; D171-L173 PolarHBondContact O-N 3.28Å; D171-K174 PolarHBondContact O-N 3.16Å
172Q62.1Low88.7Confident137 Ų13747.4 Ų47.464%0.6424%0.236SC*.THydrogen-bonded Turntrans-58.1-0.2-175.4-72.9-157.5-7.200115A169 S170A169-Q172 WeakPolarHBondContact O-CG 3.28Å; A169-Q172 PolarHBondContact O-N 3.28Å; S170-Q172 PolarHBondContact O-N 3.4Å
173L71.8Confident88.7Confident156 Ų15648 Ų4882%0.81724%0.241SC*.THydrogen-bonded Turntrans-82.5-28.8178.5-63.6173.7000113.1D171D171-L173 PolarHBondContact O-N 3.28Å
174K87.4Confident88.8Confident48 Ų4845.7 Ų45.721%0.20923%0.229CC..SBendtrans-89.5120.5-176.1-156.4173-167.5178.90112.5G38 Y39 D121 D171 R176 N218G38-K174 PolarHBondContact O-NZ 2.98Å; Y39-K174 HydrophobicContact CE1-CD 4.42Å; Y39-K174 HydrophobicContact CE1-CG 3.99Å; D121-K174 IonicContact OD1-NZ 2.66Å; D121-K174 WeakPolarHBondContact OD2-CE 3.48Å; D121-K174 IonicContact OD2-NZ 3.56Å; D121-K174 PolarHBondContact OD2-NZ 2.85Å; D171-K174 PolarHBondContact O-N 3.16Å; K174-R176 PolarHBondContact O-N 3.31Å; K174-N218 PolarHBondContact O-ND2 2.89Å
175N91.6Very high88.9Confident21 Ų2144.9 Ų44.911%0.11222%0.223CC..  trans-80.2105.8179.4-71.5-43.3000110.6Q31 I33 Y39 N218Q31-N175 WeakPolarHBondContact CB-ND2 3.4Å; Q31-N175 PolarHBondContact O-ND2 3.09Å; I33-N175 HydrophobicContact CD1-CB 4.25Å; I33-N175 WeakPolarHBondContact CD1-O 3.47Å; I33-N175 HydrophobicContact CG1-CB 3.83Å; Y39-N175 VanDerWaalsContact CE1-O 3.23Å; Y39-N175 WeakPolarHBondContact CE1-O 3.39Å; N175-N218 PolarHBondContact OD1-ND2 2.94Å; N175-N218 PolarHBondContact OD1-OD1 3.43Å
176R95.6Very high88.9Confident4 Ų444.9 Ų44.92%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-97.4157.9-177.8-62-173.9-169.6942.8112.1D121 M165 R168 K174 N218 V219 W220D121-R176 HydrophobicContact CB-CG 4.49Å; D121-R176 WeakPolarHBondContact O-CA 3.14Å; D121-R176 WeakPolarHBondContact O-CB 3.45Å; D121-R176 IonicContact OD1-NE 3.69Å; M165-R176 HydrophobicContact CE-CB 4.11Å; M165-R176 PolarHBondContact O-NH1 3.1Å; M165-R176 HydrophobicContact SD-CB 4.03Å; R168-R176 VanDerWaalsContact NH1-NE 3.2Å; R168-R176 PolarHBondContact O-NH2 2.94Å; R168-R176 VanDerWaalsContact O-NH2 3.07Å; K174-R176 PolarHBondContact O-N 3.31Å; R176-N218 PolarHBondContact N-O 3.43Å; R176-N218 VanDerWaalsContact N-O 3.07Å; R176-V219 HydrophobicContact CB-CG1 4.48Å; R176-V219 HydrophobicContact CB-CG2 4.02Å; R176-W220 PolarHBondContact O-N 3.31Å
177R97.7Very high89.1Confident0 Ų043 Ų430%022%0.215CC..EExtended strand (participates in β ladder)trans-137.1143.2-174.5-58.8-65.3-176.5-93.5-3.8112.7C30 Q31 I33 D121 I122 L123 W220 V269 A270C30-R177 PolarHBondContact SG-NH1 3.26Å; C30-R177 VanDerWaalsContact SG-NH1 3.42Å; C30-R177 PolarHBondContact SG-NH2 2.79Å; Q31-R177 PolarHBondContact O-NH2 3.43Å; I33-R177 HydrophobicContact CD1-CG 3.74Å; D121-R177 PolarHBondContact O-N 2.67Å; I122-R177 CarbonylContact C-O 3.55Å; I122-R177 VanDerWaalsContact CA-O 3.3Å; I122-R177 WeakPolarHBondContact CA-O 3.44Å; I122-R177 HydrophobicContact CB-CB 4.39Å; I122-R177 HydrophobicContact CG1-CB 4.08Å; I122-R177 HydrophobicContact CG1-CG 4.33Å; I122-R177 HydrophobicContact CG2-CB 4.09Å; L123-R177 PolarHBondContact N-O 2.96Å; R177-W220 WeakPolarHBondContact CA-O 3.27Å; R177-V269 HydrophobicContact CB-CG1 3.71Å; R177-V269 WeakPolarHBondContact CD-O 3.35Å; R177-V269 HydrophobicContact CG-CG1 3.75Å; R177-V269 PolarHBondContact NE-O 3.45Å; R177-A270 PolarHBondContact NH2-O 3.41Å
178V98.6Very high89.3Confident0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-130.8125.4166.3179.40000108L123 T158 M165 F180 V219 W220 I221 T222L123-V178 HydrophobicContact CB-CG1 4.38Å; L123-V178 HydrophobicContact CB-CG2 4.32Å; L123-V178 HydrophobicContact CD2-CG1 4.05Å; L123-V178 HydrophobicContact CG-CG1 4.34Å; L123-V178 CarbonylContact O-C 3.55Å; L123-V178 WeakPolarHBondContact O-CA 3.37Å; T158-V178 HydrophobicContact CG2-CG1 3.99Å; M165-V178 HydrophobicContact CE-CG2 4.36Å; M165-V178 HydrophobicContact SD-CG2 4.13Å; V178-F180 HydrophobicContact CG1-CE2 4.03Å; V178-F180 HydrophobicContact CG1-CZ 3.95Å; V178-V219 HydrophobicContact CG2-CG1 4.08Å; V178-W220 PolarHBondContact N-O 3.48Å; V178-I221 HydrophobicContact CB-CD1 3.75Å; V178-I221 HydrophobicContact CG1-CD1 4.42Å; V178-I221 HydrophobicContact CG2-CD1 4.27Å; V178-I221 CarbonylContact O-C 3.53Å; V178-I221 VanDerWaalsContact O-CA 3.31Å; V178-I221 WeakPolarHBondContact O-CA 3.45Å; V178-T222 PolarHBondContact O-N 3.22Å
179C98.8Very high89.6Confident0 Ų035.6 Ų35.60%021%0.208CC..EExtended strand (participates in β ladder)trans-114.5137.8178.2-170.80000110.2L123 I124 N125 T222 V269L123-C179 PolarHBondContact O-N 2.99Å; I124-C179 HydrophobicContact CD1-CB 3.52Å; I124-C179 HydrophobicContact CG2-CB 4.48Å; N125-C179 WeakPolarHBondContact CB-O 3.45Å; N125-C179 PolarHBondContact N-O 2.72Å; N125-C179 PolarHBondContact ND2-O 3.36Å; C179-T222 CarbonylContact C-O 3.54Å; C179-T222 VanDerWaalsContact CA-O 3.22Å; C179-T222 WeakPolarHBondContact CA-O 3.36Å; C179-V269 HydrophobicContact CB-CG2 3.67Å
180F98.8Very high90.5Very high0 Ų036.7 Ų36.70%021%0.212CC..EExtended strand (participates in β ladder)trans-111.3119167.7-58.8-79.5000109N125 A154 T158 V178 S182 L203 F206 A207 L210 I221 T222 I223 A224N125-F180 HydrophobicContact CB-CD1 3.84Å; N125-F180 HydrophobicContact CB-CE1 4.37Å; N125-F180 VanDerWaalsContact ND2-CE1 3.3Å; N125-F180 WeakPolarHBondContact ND2-CE1 3.36Å; A154-F180 HydrophobicContact CB-CD1 3.93Å; A154-F180 HydrophobicContact CB-CE1 3.94Å; T158-F180 HydrophobicContact CG2-CZ 4.02Å; T158-F180 WeakPolarHBondContact OG1-CE1 3.39Å; V178-F180 HydrophobicContact CG1-CE2 4.03Å; V178-F180 HydrophobicContact CG1-CZ 3.95Å; F180-S182 PolarHBondContact O-N 3.21Å; F180-L203 HydrophobicContact CB-CD2 4.44Å; F180-L203 HydrophobicContact CD1-CD2 3.87Å; F180-L203 HydrophobicContact CG-CD2 4.41Å; F180-F206 AromaticContact CE1-CD1 3.88Å; F180-F206 HydrophobicContact CE1-CD1 3.88Å; F180-F206 AromaticContact CE1-CE1 3.87Å; F180-F206 HydrophobicContact CE1-CE1 3.87Å; F180-F206 HydrophobicContact CE2-CD1 4.39Å; F180-F206 AromaticContact CZ-CD1 3.64Å; F180-F206 HydrophobicContact CZ-CD1 3.64Å; F180-F206 AromaticContact CZ-CE1 3.61Å; F180-F206 HydrophobicContact CZ-CE1 3.61Å; F180-A207 HydrophobicContact CD2-CB 3.88Å; F180-A207 HydrophobicContact CE2-CB 4.1Å; F180-L210 HydrophobicContact CE2-CD1 4.13Å; F180-L210 HydrophobicContact CZ-CD1 3.8Å; F180-I221 HydrophobicContact CD2-CG2 3.93Å; F180-I221 HydrophobicContact CE2-CG2 3.7Å; F180-T222 PolarHBondContact N-O 3.38Å; F180-I223 HydrophobicContact CB-CG1 4.43Å; F180-I223 WeakPolarHBondContact O-CA 3.31Å; F180-A224 PolarHBondContact O-N 3.24Å
181V98.6Very high91.7Very high8 Ų834.6 Ų34.65%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-84.395.7171.9-171.40000108I54 I124 N125 N126 K200 P226 I265I54-V181 HydrophobicContact CD1-CG2 4.38Å; I124-V181 HydrophobicContact CG2-CG2 4.11Å; N125-V181 PolarHBondContact O-N 2.94Å; N126-V181 HydrophobicContact CB-CB 4.27Å; N126-V181 HydrophobicContact CB-CG2 3.73Å; V181-K200 PolarHBondContact O-NZ 2.84Å; V181-P226 HydrophobicContact CG1-CG 3.71Å; V181-I265 HydrophobicContact CG1-CD1 4.38Å; V181-I265 HydrophobicContact CG2-CD1 4.28Å
182S98.1Very high93.3Very high5 Ų531 Ų314%0.03517%0.167CC..  trans-83.4-135.3174.2-168.70000109.5F180 K200 A224F180-S182 PolarHBondContact O-N 3.21Å; S182-K200 PolarHBondContact OG-O 2.79Å; S182-K200 VanDerWaalsContact OG-O 3.11Å; S182-A224 CarbonylContact C-O 3.51Å; S182-A224 VanDerWaalsContact CA-O 3.3Å; S182-A224 WeakPolarHBondContact CA-O 3.44Å; S182-A224 VanDerWaalsContact CB-O 3.28Å; S182-A224 WeakPolarHBondContact CB-O 3.44Å; S182-A224 PolarHBondContact N-O 2.91Å
183S97.1Very high94.9Very high20 Ų2025 Ų2514%0.1414%0.139CC..  trans-162.3158.9175.8172.60000107.2A185 G186 Y196 Y225S183-A185 PolarHBondContact O-N 3.35Å; S183-A185 VanDerWaalsContact O-N 3.14Å; S183-A185 PolarHBondContact OG-N 3.45Å; S183-G186 WeakPolarHBondContact O-CA 3.45Å; S183-G186 PolarHBondContact O-N 3.14Å; S183-Y196 WeakPolarHBondContact CB-OH 3.3Å; S183-Y225 WeakPolarHBondContact O-CD1 3.11Å
184Q96.1Very high96.1Very high29 Ų2920.6 Ų20.614%0.13612%0.119CC..G310 helixtrans-52.3-31.7166-69.2-177.5-1.300112.3G186 Q187 I188 P226 L285Q184-G186 PolarHBondContact O-N 3.02Å; Q184-G186 VanDerWaalsContact O-N 3.14Å; Q184-Q187 WeakPolarHBondContact O-CB 3.37Å; Q184-Q187 PolarHBondContact O-N 3.33Å; Q184-I188 PolarHBondContact O-N 3.49Å; Q184-P226 PolarHBondContact N-O 3.22Å; Q184-L285 HydrophobicContact CB-CD1 3.87Å; Q184-L285 HydrophobicContact CG-CD1 4.11Å
185A95.6Very high96.6Very high4 Ų418.5 Ų18.53%0.03311%0.11CC..G310 helixtrans-65.7-9.9171.800000114.8S183 I188 Y193 Y196 S197 F201S183-A185 PolarHBondContact O-N 3.35Å; S183-A185 VanDerWaalsContact O-N 3.14Å; S183-A185 PolarHBondContact OG-N 3.45Å; A185-I188 CarbonylContact C-O 3.58Å; A185-Y193 HydrophobicContact CB-CD1 3.62Å; A185-Y193 HydrophobicContact CB-CE1 3.94Å; A185-Y196 HydrophobicContact CB-CD1 4Å; A185-Y196 HydrophobicContact CB-CE1 3.8Å; A185-S197 WeakPolarHBondContact O-CA 3.46Å; A185-S197 VanDerWaalsContact O-CB 3.32Å; A185-S197 WeakPolarHBondContact O-CB 3.49Å; A185-S197 PolarHBondContact O-OG 2.92Å; A185-F201 WeakPolarHBondContact O-CE2 3.3Å
186G96.5Very high96.9Very high0 Ų018.7 Ų18.70%011%0.11CC..G310 helixtrans-80.70.7167.700000113.8S183 Q184 F201S183-G186 WeakPolarHBondContact O-CA 3.45Å; S183-G186 PolarHBondContact O-N 3.14Å; Q184-G186 PolarHBondContact O-N 3.02Å; Q184-G186 VanDerWaalsContact O-N 3.14Å; G186-F201 VanDerWaalsContact O-CD2 3.31Å; G186-F201 WeakPolarHBondContact O-CD2 3.25Å
187Q96.4Very high97Very high12 Ų1218.8 Ų18.86%0.05611%0.111CC..THydrogen-bonded Turntrans-122.7-19.7179-55.7177.5-75.700112.6Q184 F201 Y225 S286 C289Q184-Q187 WeakPolarHBondContact O-CB 3.37Å; Q184-Q187 PolarHBondContact O-N 3.33Å; Q187-F201 WeakPolarHBondContact O-CZ 3.4Å; Q187-Y225 HydrophobicContact CG-CD1 3.6Å; Q187-Y225 HydrophobicContact CG-CE1 3.51Å; Q187-Y225 HydrophobicContact CG-CE2 4.48Å; Q187-Y225 HydrophobicContact CG-CG 4.12Å; Q187-S286 VanDerWaalsContact NE2-CA 3.3Å; Q187-S286 PolarHBondContact NE2-OG 3.42Å; Q187-C289 HydrophobicContact CB-CB 4.45Å; Q187-C289 PolarHBondContact O-SG 3.28Å
188I95.3Very high97Very high42 Ų4221.2 Ų21.222%0.21513%0.131CC..SBendtrans-137.3139.4177.2-173.3166.9000110.8Q184 A185 L190 S197 L285 F322Q184-I188 PolarHBondContact O-N 3.49Å; A185-I188 CarbonylContact C-O 3.58Å; I188-L190 HydrophobicContact CD1-CD2 4.13Å; I188-L190 HydrophobicContact CG1-CD2 4.15Å; I188-L190 HydrophobicContact CG2-CD1 4.2Å; I188-L190 HydrophobicContact CG2-CD2 4.29Å; I188-L190 HydrophobicContact CG2-CG 4.12Å; I188-S197 PolarHBondContact O-OG 3.38Å; I188-L285 HydrophobicContact CB-CD2 4.27Å; I188-L285 HydrophobicContact CG2-CD2 4.26Å; I188-F322 HydrophobicContact CD1-CE2 4.27Å
189G95.4Very high97Very high56 Ų5621.2 Ų21.258%0.57713%0.131SC*.  trans-84129.6169.400000110.3
190L95Very high97Very high33 Ų3321.6 Ų21.617%0.17313%0.133CC..  trans-123.7153.5-178.3-62.2169.8000110.3I188 G192 Y193 I248 T249 F322I188-L190 HydrophobicContact CD1-CD2 4.13Å; I188-L190 HydrophobicContact CG1-CD2 4.15Å; I188-L190 HydrophobicContact CG2-CD1 4.2Å; I188-L190 HydrophobicContact CG2-CD2 4.29Å; I188-L190 HydrophobicContact CG2-CG 4.12Å; L190-G192 PolarHBondContact O-N 2.84Å; L190-Y193 HydrophobicContact CB-CG 4.29Å; L190-Y193 WeakPolarHBondContact O-CB 3.42Å; L190-Y193 PolarHBondContact O-N 3.22Å; L190-Y193 VanDerWaalsContact O-N 3.09Å; L190-I248 HydrophobicContact CD2-CG2 4.13Å; L190-T249 HydrophobicContact CB-CG2 4.33Å; L190-T249 HydrophobicContact CD1-CG2 3.94Å; L190-F322 HydrophobicContact CD2-CD2 4.4Å; L190-F322 HydrophobicContact CD2-CE2 3.94Å; L190-F322 HydrophobicContact CD2-CZ 4.33Å
191Y95.8Very high97Very high73 Ų7325.6 Ų25.629%0.28615%0.15SC..THydrogen-bonded Turntrans-54.6139.5170.7-177.9-87.7000110.1P134 Y193 L244 T245 I248 V326P134-Y191 HydrophobicContact CG-CE1 4.15Å; P134-Y191 VanDerWaalsContact CG-OH 3.28Å; P134-Y191 WeakPolarHBondContact CG-OH 3.31Å; Y191-Y193 PolarHBondContact O-N 2.82Å; Y191-L244 HydrophobicContact CD1-CD2 4.36Å; Y191-L244 HydrophobicContact CD1-CG 4.04Å; Y191-L244 HydrophobicContact CE1-CB 3.96Å; Y191-L244 HydrophobicContact CE1-CD2 3.72Å; Y191-L244 HydrophobicContact CE1-CG 3.71Å; Y191-L244 HydrophobicContact CE2-CD2 4.03Å; Y191-T245 WeakPolarHBondContact CD1-OG1 3.31Å; Y191-T245 WeakPolarHBondContact O-CG2 3.3Å; Y191-I248 VanDerWaalsContact CB-CD1 3.44Å; Y191-I248 HydrophobicContact CD1-CD1 4.25Å; Y191-I248 HydrophobicContact CG-CD1 3.95Å; Y191-V326 HydrophobicContact CD2-CG1 4.13Å; Y191-V326 HydrophobicContact CD2-CG2 3.85Å; Y191-V326 HydrophobicContact CE2-CG1 4.16Å; Y191-V326 HydrophobicContact CG-CG2 4.15Å
192G96.7Very high97Very high2 Ų226.6 Ų26.62%0.02116%0.159CC..THydrogen-bonded Turntrans77.6-10.4-177.500000115.1Q132 A133 L190Q132-G192 CarbonylContact C-O 3.54Å; Q132-G192 VanDerWaalsContact CA-O 3.24Å; Q132-G192 WeakPolarHBondContact CA-O 3.1Å; A133-G192 PolarHBondContact N-O 3.44Å; A133-G192 CarbonylContact O-C 3.49Å; A133-G192 VanDerWaalsContact O-CA 3.29Å; A133-G192 WeakPolarHBondContact O-CA 2.95Å; L190-G192 PolarHBondContact O-N 2.84Å
193Y97.1Very high97Very high12 Ų1226.6 Ų26.65%0.04716%0.159CC..  trans-106.617.2-173.8-79.5-137.1000112.1Q132 A185 L190 Y191 A195 Y196 S197 T245 T249Q132-Y193 HydrophobicContact CB-CE2 4.29Å; Q132-Y193 HydrophobicContact CG-CD2 4.15Å; Q132-Y193 HydrophobicContact CG-CE2 3.71Å; Q132-Y193 PolarHBondContact NE2-OH 3.14Å; Q132-Y193 PolarHBondContact OE1-OH 3.42Å; A185-Y193 HydrophobicContact CB-CD1 3.62Å; A185-Y193 HydrophobicContact CB-CE1 3.94Å; L190-Y193 HydrophobicContact CB-CG 4.29Å; L190-Y193 WeakPolarHBondContact O-CB 3.42Å; L190-Y193 PolarHBondContact O-N 3.22Å; L190-Y193 VanDerWaalsContact O-N 3.09Å; Y191-Y193 PolarHBondContact O-N 2.82Å; Y193-A195 PolarHBondContact O-N 3.44Å; Y193-Y196 AromaticContact CD1-CD1 3.49Å; Y193-Y196 HydrophobicContact CD1-CD1 3.49Å; Y193-Y196 VanDerWaalsContact CD1-CD1 3.49Å; Y193-Y196 HydrophobicContact CD1-CE1 4.1Å; Y193-Y196 AromaticContact CE1-CD1 3.79Å; Y193-Y196 HydrophobicContact CE1-CD1 3.79Å; Y193-Y196 HydrophobicContact CE1-CE1 4Å; Y193-Y196 HydrophobicContact CG-CD1 4.33Å; Y193-Y196 PolarHBondContact O-N 2.86Å; Y193-Y196 VanDerWaalsContact O-N 3.12Å; Y193-S197 WeakPolarHBondContact O-CB 3.18Å; Y193-S197 PolarHBondContact O-N 2.87Å; Y193-T245 HydrophobicContact CD2-CG2 3.83Å; Y193-T245 HydrophobicContact CE2-CG2 3.53Å; Y193-T249 HydrophobicContact CD2-CG2 4.24Å; Y193-T249 HydrophobicContact CE2-CG2 3.69Å
194T96.9Very high97Very high63 Ų6327.4 Ų27.439%0.38716%0.159SC..Hα-helixtrans-52.5-49.6-169.8-510000113.3L135 F143L135-T194 HydrophobicContact CD1-CG2 4.17Å; F143-T194 HydrophobicContact CE1-CG2 4.46Å
195A97.4Very high97.1Very high4 Ų428.1 Ų28.13%0.03317%0.174CC..Hα-helixtrans-77.4-40176.200000112.7L138 F143 Y193 S199L138-A195 HydrophobicContact CD1-CB 4.11Å; F143-A195 HydrophobicContact CD1-CB 3.67Å; F143-A195 HydrophobicContact CE1-CB 3.8Å; F143-A195 HydrophobicContact CG-CB 4.09Å; F143-A195 HydrophobicContact CZ-CB 4.31Å; Y193-A195 PolarHBondContact O-N 3.44Å; A195-S199 PolarHBondContact O-N 3.04Å
196Y97.9Very high97.2Very high26 Ų2630 Ų3010%0.10218%0.181CC..Hα-helixtrans-65.7-53.4-177.1-179.6-113.6000112.9R129 S130 Q146 S183 A185 Y193 A198 S199 K200R129-Y196 WeakPolarHBondContact O-CD2 3.33Å; R129-Y196 WeakPolarHBondContact O-CE2 3.22Å; S130-Y196 WeakPolarHBondContact OG-CD2 3.39Å; S130-Y196 VanDerWaalsContact OG-CG 3.25Å; Q146-Y196 VanDerWaalsContact OE1-CB 3.32Å; S183-Y196 WeakPolarHBondContact CB-OH 3.3Å; A185-Y196 HydrophobicContact CB-CD1 4Å; A185-Y196 HydrophobicContact CB-CE1 3.8Å; Y193-Y196 AromaticContact CD1-CD1 3.49Å; Y193-Y196 HydrophobicContact CD1-CD1 3.49Å; Y193-Y196 VanDerWaalsContact CD1-CD1 3.49Å; Y193-Y196 HydrophobicContact CD1-CE1 4.1Å; Y193-Y196 AromaticContact CE1-CD1 3.79Å; Y193-Y196 HydrophobicContact CE1-CD1 3.79Å; Y193-Y196 HydrophobicContact CE1-CE1 4Å; Y193-Y196 HydrophobicContact CG-CD1 4.33Å; Y193-Y196 PolarHBondContact O-N 2.86Å; Y193-Y196 VanDerWaalsContact O-N 3.12Å; Y196-A198 VanDerWaalsContact C-N 3.3Å; Y196-A198 PolarHBondContact O-N 2.9Å; Y196-S199 PolarHBondContact O-N 3.41Å; Y196-S199 VanDerWaalsContact O-N 3.09Å; Y196-S199 PolarHBondContact O-OG 3.25Å; Y196-K200 HydrophobicContact CD2-CG 4.27Å; Y196-K200 HydrophobicContact CE1-CG 4.08Å; Y196-K200 HydrophobicContact CE2-CD 4.27Å; Y196-K200 HydrophobicContact CE2-CG 3.78Å; Y196-K200 PolarHBondContact O-N 2.98Å; Y196-K200 VanDerWaalsContact OH-CE 3.26Å; Y196-K200 WeakPolarHBondContact OH-CE 2.81Å
197S97.9Very high97.3Very high6 Ų630 Ų304%0.04218%0.181CC..Hα-helixtrans-54.9-46.2177.5-78.20000110.6A185 I188 Y193 S199 K200 F201A185-S197 WeakPolarHBondContact O-CA 3.46Å; A185-S197 VanDerWaalsContact O-CB 3.32Å; A185-S197 WeakPolarHBondContact O-CB 3.49Å; A185-S197 PolarHBondContact O-OG 2.92Å; I188-S197 PolarHBondContact O-OG 3.38Å; Y193-S197 WeakPolarHBondContact O-CB 3.18Å; Y193-S197 PolarHBondContact O-N 2.87Å; S197-S199 VanDerWaalsContact C-N 3.31Å; S197-S199 PolarHBondContact O-N 3.24Å; S197-K200 PolarHBondContact O-N 3.43Å; S197-K200 VanDerWaalsContact O-N 3.08Å; S197-F201 WeakPolarHBondContact O-CB 3.38Å; S197-F201 VanDerWaalsContact O-CD2 3.22Å; S197-F201 WeakPolarHBondContact O-CD2 3.41Å; S197-F201 PolarHBondContact O-N 3.14Å
198A97.8Very high97.4Very high51 Ų5131.3 Ų31.342%0.42119%0.188SC..Hα-helixtrans-56.1-45177.700000112.2Y196 K200 F201 A202Y196-A198 VanDerWaalsContact C-N 3.3Å; Y196-A198 PolarHBondContact O-N 2.9Å; A198-K200 VanDerWaalsContact C-N 3.35Å; A198-K200 PolarHBondContact O-N 3.38Å; A198-F201 PolarHBondContact O-N 3.04Å; A198-A202 PolarHBondContact O-N 2.78Å; A198-A202 VanDerWaalsContact O-N 3.09Å
199S98.3Very high97.5Very high0 Ų031.5 Ų31.50%020%0.196CC..Hα-helixtrans-64-35.9177.279.10000113.3N150 A195 Y196 S197 A202N150-S199 PolarHBondContact ND2-OG 3.14Å; A195-S199 PolarHBondContact O-N 3.04Å; Y196-S199 PolarHBondContact O-N 3.41Å; Y196-S199 VanDerWaalsContact O-N 3.09Å; Y196-S199 PolarHBondContact O-OG 3.25Å; S197-S199 VanDerWaalsContact C-N 3.31Å; S197-S199 PolarHBondContact O-N 3.24Å; S199-A202 WeakPolarHBondContact O-CB 3.36Å
200K98.3Very high97.6Very high8 Ų829.3 Ų29.34%0.03517%0.171CC..Hα-helixtrans-80.9-28.5179.2-69.1-62-168.5175.10113.2V181 S182 Y196 S197 A198 L203V181-K200 PolarHBondContact O-NZ 2.84Å; S182-K200 PolarHBondContact OG-O 2.79Å; S182-K200 VanDerWaalsContact OG-O 3.11Å; Y196-K200 HydrophobicContact CD2-CG 4.27Å; Y196-K200 HydrophobicContact CE1-CG 4.08Å; Y196-K200 HydrophobicContact CE2-CD 4.27Å; Y196-K200 HydrophobicContact CE2-CG 3.78Å; Y196-K200 PolarHBondContact O-N 2.98Å; Y196-K200 VanDerWaalsContact OH-CE 3.26Å; Y196-K200 WeakPolarHBondContact OH-CE 2.81Å; S197-K200 PolarHBondContact O-N 3.43Å; S197-K200 VanDerWaalsContact O-N 3.08Å; A198-K200 VanDerWaalsContact C-N 3.35Å; A198-K200 PolarHBondContact O-N 3.38Å; K200-L203 HydrophobicContact CD-CD1 3.93Å
201F98.2Very high97.6Very high84 Ų8428.3 Ų28.337%0.36817%0.165SC..Hα-helixtrans-66.1-37.5168.4-92.2-110.5000111.6A185 G186 Q187 S197 A198 L203 R204 G205A185-F201 WeakPolarHBondContact O-CE2 3.3Å; G186-F201 VanDerWaalsContact O-CD2 3.31Å; G186-F201 WeakPolarHBondContact O-CD2 3.25Å; Q187-F201 WeakPolarHBondContact O-CZ 3.4Å; S197-F201 WeakPolarHBondContact O-CB 3.38Å; S197-F201 VanDerWaalsContact O-CD2 3.22Å; S197-F201 WeakPolarHBondContact O-CD2 3.41Å; S197-F201 PolarHBondContact O-N 3.14Å; A198-F201 PolarHBondContact O-N 3.04Å; F201-L203 VanDerWaalsContact C-N 3.25Å; F201-L203 PolarHBondContact O-N 2.89Å; F201-R204 WeakPolarHBondContact O-CB 3.31Å; F201-R204 PolarHBondContact O-N 2.89Å; F201-G205 PolarHBondContact O-N 2.96Å
202A98.5Very high97.5Very high29 Ų2931.6 Ų31.624%0.2418%0.184CC..Hα-helixtrans-57.5-38.8177.300000112.3M147 Y151 A198 S199 R204 G205 F206M147-A202 HydrophobicContact SD-CB 4.19Å; Y151-A202 HydrophobicContact CD1-CB 4.22Å; Y151-A202 HydrophobicContact CD2-CB 3.93Å; Y151-A202 HydrophobicContact CE2-CB 4.4Å; Y151-A202 HydrophobicContact CG-CB 3.83Å; A198-A202 PolarHBondContact O-N 2.78Å; A198-A202 VanDerWaalsContact O-N 3.09Å; S199-A202 WeakPolarHBondContact O-CB 3.36Å; A202-R204 PolarHBondContact O-N 3.22Å; A202-G205 PolarHBondContact O-N 3.2Å; A202-F206 WeakPolarHBondContact O-CB 3.47Å; A202-F206 PolarHBondContact O-N 3.43Å
203L98.6Very high97.4Very high4 Ų436.6 Ų36.62%0.02121%0.207CC..Hα-helixtrans-58.6-36174.4-70.2173.6000112.7Y151 A154 F180 K200 F201 A207 I223Y151-L203 HydrophobicContact CD2-CD2 4.26Å; A154-L203 HydrophobicContact CB-CD2 3.84Å; F180-L203 HydrophobicContact CB-CD2 4.44Å; F180-L203 HydrophobicContact CD1-CD2 3.87Å; F180-L203 HydrophobicContact CG-CD2 4.41Å; K200-L203 HydrophobicContact CD-CD1 3.93Å; F201-L203 VanDerWaalsContact C-N 3.25Å; F201-L203 PolarHBondContact O-N 2.89Å; L203-A207 VanDerWaalsContact O-CB 3.24Å; L203-A207 WeakPolarHBondContact O-CB 3.22Å; L203-A207 PolarHBondContact O-N 2.74Å; L203-I223 HydrophobicContact CB-CD1 4.23Å
204R97.8Very high97.2Very high38 Ų3836 Ų3614%0.14321%0.205CC..Hα-helixtrans-67.1-51.8179.7-179.5-175.9168.5168.64.3111.5F201 A202 F206 A207 E208 I223 C289 A290F201-R204 WeakPolarHBondContact O-CB 3.31Å; F201-R204 PolarHBondContact O-N 2.89Å; A202-R204 PolarHBondContact O-N 3.22Å; R204-F206 PolarHBondContact O-N 2.87Å; R204-A207 PolarHBondContact O-N 3Å; R204-A207 VanDerWaalsContact O-N 3.16Å; R204-E208 IonicContact CZ-OE1 3.99Å; R204-E208 IonicContact NE-OE1 2.72Å; R204-E208 PolarHBondContact NE-OE1 3.42Å; R204-E208 IonicContact NH2-OE1 2.75Å; R204-E208 PolarHBondContact NH2-OE1 2.9Å; R204-E208 VanDerWaalsContact NH2-OE1 3.15Å; R204-E208 WeakPolarHBondContact O-CG 3.39Å; R204-E208 PolarHBondContact O-N 2.89Å; R204-I223 HydrophobicContact CB-CD1 3.89Å; R204-C289 VanDerWaalsContact CZ-O 3.22Å; R204-C289 PolarHBondContact NH1-O 3.02Å; R204-C289 PolarHBondContact NH2-O 3.28Å; R204-A290 PolarHBondContact NH2-O 2.89Å
205G97.9Very high96.8Very high44 Ų4437.5 Ų37.545%0.45420%0.204SC..Hα-helixtrans-58.5-39.5177.400000111.8F201 A202 A209F201-G205 PolarHBondContact O-N 2.96Å; A202-G205 PolarHBondContact O-N 3.2Å; G205-A209 PolarHBondContact O-N 3.42Å
206F98.4Very high96.3Very high43 Ų4341.1 Ų41.119%0.18923%0.227CC..Hα-helixtrans-64.7-45.1175-172.5-122.9000112.8Y151 A155 T158 F180 A202 R204 A209 L210Y151-F206 HydrophobicContact CE2-CB 3.88Å; Y151-F206 HydrophobicContact CE2-CD1 4.32Å; Y151-F206 HydrophobicContact CE2-CD2 4.41Å; Y151-F206 AromaticContact CE2-CG 3.97Å; Y151-F206 HydrophobicContact CE2-CG 3.97Å; A155-F206 HydrophobicContact CB-CE1 4.16Å; A155-F206 HydrophobicContact CB-CZ 4.02Å; T158-F206 HydrophobicContact CG2-CE1 4.32Å; F180-F206 AromaticContact CE1-CD1 3.88Å; F180-F206 HydrophobicContact CE1-CD1 3.88Å; F180-F206 AromaticContact CE1-CE1 3.87Å; F180-F206 HydrophobicContact CE1-CE1 3.87Å; F180-F206 HydrophobicContact CE2-CD1 4.39Å; F180-F206 AromaticContact CZ-CD1 3.64Å; F180-F206 HydrophobicContact CZ-CD1 3.64Å; F180-F206 AromaticContact CZ-CE1 3.61Å; F180-F206 HydrophobicContact CZ-CE1 3.61Å; A202-F206 WeakPolarHBondContact O-CB 3.47Å; A202-F206 PolarHBondContact O-N 3.43Å; R204-F206 PolarHBondContact O-N 2.87Å; F206-A209 PolarHBondContact O-N 3.18Å; F206-L210 HydrophobicContact CD1-CD1 3.86Å; F206-L210 HydrophobicContact CD2-CD1 4.4Å; F206-L210 HydrophobicContact CD2-CG 4.33Å; F206-L210 HydrophobicContact CE1-CD1 3.43Å; F206-L210 VanDerWaalsContact CE1-CD1 3.43Å; F206-L210 HydrophobicContact CE1-CG 4.33Å; F206-L210 HydrophobicContact CE2-CD1 4.01Å; F206-L210 HydrophobicContact CE2-CD2 4.31Å; F206-L210 HydrophobicContact CE2-CG 4.07Å; F206-L210 HydrophobicContact CG-CD1 4.33Å; F206-L210 HydrophobicContact CZ-CD1 3.51Å; F206-L210 HydrophobicContact CZ-CD2 4.36Å; F206-L210 HydrophobicContact CZ-CG 4.08Å; F206-L210 WeakPolarHBondContact O-CB 3.35Å; F206-L210 WeakPolarHBondContact O-CG 3.41Å; F206-L210 PolarHBondContact O-N 2.88Å
207A98.4Very high96Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-64.2-42.617900000112.6F180 L203 R204 L210 Q211 I221 I223 F274F180-A207 HydrophobicContact CD2-CB 3.88Å; F180-A207 HydrophobicContact CE2-CB 4.1Å; L203-A207 VanDerWaalsContact O-CB 3.24Å; L203-A207 WeakPolarHBondContact O-CB 3.22Å; L203-A207 PolarHBondContact O-N 2.74Å; R204-A207 PolarHBondContact O-N 3Å; R204-A207 VanDerWaalsContact O-N 3.16Å; A207-L210 PolarHBondContact O-N 3.18Å; A207-Q211 WeakPolarHBondContact O-CB 3.46Å; A207-Q211 PolarHBondContact O-N 3.49Å; A207-I221 HydrophobicContact CB-CG2 3.81Å; A207-I223 HydrophobicContact CB-CB 4.25Å; A207-I223 HydrophobicContact CB-CD1 4.38Å; A207-F274 HydrophobicContact CB-CE2 4.2Å; A207-F274 HydrophobicContact CB-CZ 4.16Å
208E97.4Very high95.7Very high40 Ų4045.7 Ų45.719%0.18725%0.246CC..Hα-helixtrans-61.5-46178-72.4-178.4-165.200111.4R204 Q211 F274 S293R204-E208 IonicContact CZ-OE1 3.99Å; R204-E208 IonicContact NE-OE1 2.72Å; R204-E208 PolarHBondContact NE-OE1 3.42Å; R204-E208 IonicContact NH2-OE1 2.75Å; R204-E208 PolarHBondContact NH2-OE1 2.9Å; R204-E208 VanDerWaalsContact NH2-OE1 3.15Å; R204-E208 WeakPolarHBondContact O-CG 3.39Å; R204-E208 PolarHBondContact O-N 2.89Å; E208-Q211 PolarHBondContact O-N 3.09Å; E208-F274 HydrophobicContact CB-CZ 4.32Å; E208-F274 HydrophobicContact CG-CE1 4.02Å; E208-F274 HydrophobicContact CG-CZ 3.55Å; E208-S293 WeakPolarHBondContact OE1-CB 3.36Å
209A98Very high95.5Very high46 Ų4643.2 Ų43.238%0.3823%0.226SC..Hα-helixtrans-63.1-47.4176.100000111.7G205 F206 Q211 M212 E213G205-A209 PolarHBondContact O-N 3.42Å; F206-A209 PolarHBondContact O-N 3.18Å; A209-Q211 VanDerWaalsContact C-N 3.31Å; A209-Q211 PolarHBondContact O-N 2.94Å; A209-M212 PolarHBondContact O-N 3.46Å; A209-E213 PolarHBondContact O-N 2.91Å
210L97.6Very high95.4Very high10 Ų1044.6 Ų44.65%0.05223%0.231CC..Hα-helixtrans-61.8-37.5179.8-77.4-175.7000112.6T158 L162 F180 F206 A207 M212 E213 C214 I221T158-L210 HydrophobicContact CG2-CD1 3.64Å; L162-L210 HydrophobicContact CD1-CD1 4.06Å; L162-L210 HydrophobicContact CD1-CD2 3.73Å; L162-L210 HydrophobicContact CD1-CG 4.44Å; F180-L210 HydrophobicContact CE2-CD1 4.13Å; F180-L210 HydrophobicContact CZ-CD1 3.8Å; F206-L210 HydrophobicContact CD1-CD1 3.86Å; F206-L210 HydrophobicContact CD2-CD1 4.4Å; F206-L210 HydrophobicContact CD2-CG 4.33Å; F206-L210 HydrophobicContact CE1-CD1 3.43Å; F206-L210 VanDerWaalsContact CE1-CD1 3.43Å; F206-L210 HydrophobicContact CE1-CG 4.33Å; F206-L210 HydrophobicContact CE2-CD1 4.01Å; F206-L210 HydrophobicContact CE2-CD2 4.31Å; F206-L210 HydrophobicContact CE2-CG 4.07Å; F206-L210 HydrophobicContact CG-CD1 4.33Å; F206-L210 HydrophobicContact CZ-CD1 3.51Å; F206-L210 HydrophobicContact CZ-CD2 4.36Å; F206-L210 HydrophobicContact CZ-CG 4.08Å; F206-L210 WeakPolarHBondContact O-CB 3.35Å; F206-L210 WeakPolarHBondContact O-CG 3.41Å; F206-L210 PolarHBondContact O-N 2.88Å; A207-L210 PolarHBondContact O-N 3.18Å; L210-M212 PolarHBondContact O-N 2.93Å; L210-E213 PolarHBondContact O-N 3.34Å; L210-E213 VanDerWaalsContact O-N 3.09Å; L210-C214 WeakPolarHBondContact O-CB 3.32Å; L210-C214 PolarHBondContact O-N 3.12Å; L210-C214 PolarHBondContact O-SG 3.36Å; L210-I221 HydrophobicContact CB-CD1 4.16Å; L210-I221 HydrophobicContact CB-CG1 4.01Å
211Q94.9Very high95.3Very high12 Ų1244.2 Ų44.26%0.05623%0.229CC..Hα-helixtrans-56.7-39.3178.9179.159.426.900111.4A207 E208 A209 R215 I221 F274 P294A207-Q211 WeakPolarHBondContact O-CB 3.46Å; A207-Q211 PolarHBondContact O-N 3.49Å; E208-Q211 PolarHBondContact O-N 3.09Å; A209-Q211 VanDerWaalsContact C-N 3.31Å; A209-Q211 PolarHBondContact O-N 2.94Å; Q211-R215 WeakPolarHBondContact O-CB 3.43Å; Q211-R215 PolarHBondContact O-N 2.79Å; Q211-R215 VanDerWaalsContact O-N 3.13Å; Q211-I221 HydrophobicContact CB-CB 4.24Å; Q211-I221 HydrophobicContact CB-CG1 4.16Å; Q211-F274 HydrophobicContact CB-CD2 4.17Å; Q211-F274 HydrophobicContact CB-CE2 4Å; Q211-F274 HydrophobicContact CG-CD2 4.15Å; Q211-F274 HydrophobicContact CG-CE2 4.46Å; Q211-P294 HydrophobicContact CB-CG 4.45Å; Q211-P294 HydrophobicContact CG-CG 3.97Å
212M93.3Very high95.4Very high141 Ų14140.2 Ų40.270%0.69521%0.212SC*.Hα-helixtrans-67.1-43.4176.6-57-174.6-158.900111.8A209 L210 C214A209-M212 PolarHBondContact O-N 3.46Å; L210-M212 PolarHBondContact O-N 2.93Å; M212-C214 VanDerWaalsContact C-N 3.31Å; M212-C214 PolarHBondContact O-N 3.13Å
213E94.7Very high95.4Very high108 Ų10838.8 Ų38.851%0.50520%0.2SC..Hα-helixtrans-70.2-25.6179.2-69.3-171.9-139.900114.2K166 A209 L210 Y217K166-E213 WeakPolarHBondContact CE-O 3.37Å; K166-E213 PolarHBondContact NZ-O 3.44Å; K166-E213 IonicContact NZ-OE2 2.76Å; A209-E213 PolarHBondContact O-N 2.91Å; L210-E213 PolarHBondContact O-N 3.34Å; L210-E213 VanDerWaalsContact O-N 3.09Å; E213-Y217 WeakPolarHBondContact O-CD2 3.47Å; E213-Y217 WeakPolarHBondContact O-CE2 3.48Å
214C93Very high95.4Very high0 Ų038.6 Ų38.60%020%0.199CC..Hα-helixtrans-97-28.3-169.9-68.30000112.8L162 L210 M212 P216 Y217 V219 I221L162-C214 VanDerWaalsContact CD1-SG 3.54Å; L162-C214 HydrophobicContact CD2-CB 4.47Å; L162-C214 WeakPolarHBondContact CD2-SG 3.3Å; L210-C214 WeakPolarHBondContact O-CB 3.32Å; L210-C214 PolarHBondContact O-N 3.12Å; L210-C214 PolarHBondContact O-SG 3.36Å; M212-C214 VanDerWaalsContact C-N 3.31Å; M212-C214 PolarHBondContact O-N 3.13Å; C214-P216 VanDerWaalsContact C-CD 3.43Å; C214-P216 VanDerWaalsContact C-N 3.34Å; C214-Y217 PolarHBondContact O-N 3.22Å; C214-V219 CarbonylContact C-O 3.58Å; C214-V219 HydrophobicContact CB-CB 3.95Å; C214-V219 HydrophobicContact CB-CG1 4.26Å; C214-V219 VanDerWaalsContact CB-O 3.29Å; C214-V219 WeakPolarHBondContact CB-O 3.41Å; C214-V219 PolarHBondContact O-N 3.19Å; C214-I221 HydrophobicContact CB-CD1 4.31Å; C214-I221 HydrophobicContact CB-CG1 4.42Å
215R87.9Confident95.4Very high93 Ų9337 Ų3735%0.35119%0.193SC..G310 helixtrans-51.2-41.3-179.4-173.7175.4-176156.17.6114.2D26 K28 Q211 Y217 N218D26-R215 IonicContact OD1-CZ 3.55Å; D26-R215 IonicContact OD1-NH1 3.49Å; D26-R215 PolarHBondContact OD1-NH1 3.29Å; D26-R215 IonicContact OD1-NH2 2.7Å; D26-R215 PolarHBondContact OD1-NH2 3.09Å; K28-R215 PolarHBondContact O-NH2 2.94Å; Q211-R215 WeakPolarHBondContact O-CB 3.43Å; Q211-R215 PolarHBondContact O-N 2.79Å; Q211-R215 VanDerWaalsContact O-N 3.13Å; R215-Y217 PolarHBondContact O-N 3.44Å; R215-N218 PolarHBondContact O-N 2.81Å
216P87.7Confident95.4Very high80 Ų8035.3 Ų35.352%0.51917%0.174SC..G310 helixtrans-63.4-20.6177.6-23.835.7000114.6C214C214-P216 VanDerWaalsContact C-CD 3.43Å; C214-P216 VanDerWaalsContact C-N 3.34Å
217Y91.2Very high95.2Very high96 Ų9634.2 Ų34.238%0.37617%0.171SC..G310 helixtrans-105.311.9-173.1-57.4-84.4000113.3K166 A169 E213 C214 R215 V219K166-Y217 HydrophobicContact CB-CD1 4.02Å; K166-Y217 HydrophobicContact CB-CE1 4.24Å; K166-Y217 HydrophobicContact CB-CG 4.26Å; K166-Y217 HydrophobicContact CD-CD2 3.9Å; K166-Y217 HydrophobicContact CD-CE2 3.85Å; K166-Y217 HydrophobicContact CD-CG 4.29Å; K166-Y217 HydrophobicContact CG-CD1 3.98Å; K166-Y217 HydrophobicContact CG-CD2 3.82Å; K166-Y217 HydrophobicContact CG-CE1 4.34Å; K166-Y217 HydrophobicContact CG-CE2 4.19Å; K166-Y217 HydrophobicContact CG-CG 3.71Å; A169-Y217 HydrophobicContact CB-CD1 3.63Å; A169-Y217 HydrophobicContact CB-CG 4.3Å; E213-Y217 WeakPolarHBondContact O-CD2 3.47Å; E213-Y217 WeakPolarHBondContact O-CE2 3.48Å; C214-Y217 PolarHBondContact O-N 3.22Å; R215-Y217 PolarHBondContact O-N 3.44Å; Y217-V219 PolarHBondContact O-N 3.46Å
218N91Very high95Very high32 Ų3236.2 Ų36.217%0.17118%0.181CC..THydrogen-bonded Turntrans54.832.7-175.3-16026000114K174 N175 R176 R215 W220K174-N218 PolarHBondContact O-ND2 2.89Å; N175-N218 PolarHBondContact OD1-ND2 2.94Å; N175-N218 PolarHBondContact OD1-OD1 3.43Å; R176-N218 PolarHBondContact N-O 3.43Å; R176-N218 VanDerWaalsContact N-O 3.07Å; R215-N218 PolarHBondContact O-N 2.81Å; N218-W220 PolarHBondContact OD1-NE1 3.4Å
219V94.3Very high94.9Very high0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-105125.9169.9-177.20000107.5L162 M165 R176 V178 C214 Y217L162-V219 HydrophobicContact CD2-CB 4.27Å; L162-V219 HydrophobicContact CD2-CG1 3.8Å; L162-V219 HydrophobicContact CD2-CG2 4.29Å; M165-V219 HydrophobicContact CB-CG2 3.88Å; M165-V219 HydrophobicContact SD-CG1 3.8Å; M165-V219 HydrophobicContact SD-CG2 4.04Å; R176-V219 HydrophobicContact CB-CG1 4.48Å; R176-V219 HydrophobicContact CB-CG2 4.02Å; V178-V219 HydrophobicContact CG2-CG1 4.08Å; C214-V219 CarbonylContact C-O 3.58Å; C214-V219 HydrophobicContact CB-CB 3.95Å; C214-V219 HydrophobicContact CB-CG1 4.26Å; C214-V219 VanDerWaalsContact CB-O 3.29Å; C214-V219 WeakPolarHBondContact CB-O 3.41Å; C214-V219 PolarHBondContact O-N 3.19Å; Y217-V219 PolarHBondContact O-N 3.46Å
220W95.4Very high94.8Very high28 Ų2837.4 Ų37.411%0.10618%0.182CC..EExtended strand (participates in β ladder)trans-114.7137.2-177.2-69.974.9000111C30 R176 R177 V178 N218C30-W220 HydrophobicContact CB-CD2 3.44Å; C30-W220 VanDerWaalsContact CB-CD2 3.44Å; C30-W220 HydrophobicContact CB-CE3 3.68Å; C30-W220 HydrophobicContact CB-CG 4.05Å; C30-W220 HydrophobicContact CB-CH2 3.77Å; C30-W220 HydrophobicContact CB-CZ2 3.54Å; C30-W220 HydrophobicContact CB-CZ3 3.83Å; C30-W220 VanDerWaalsContact N-CH2 3.3Å; C30-W220 VanDerWaalsContact SG-CE2 3.55Å; C30-W220 PolarHBondContact SG-NE1 2.97Å; C30-W220 VanDerWaalsContact SG-NE1 3.42Å; R176-W220 PolarHBondContact O-N 3.31Å; R177-W220 WeakPolarHBondContact CA-O 3.27Å; V178-W220 PolarHBondContact N-O 3.48Å; N218-W220 PolarHBondContact OD1-NE1 3.4Å
221I97.8Very high94.7Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-100.6131.5-177.2-50.3-56.2000109.2V178 F180 A207 L210 Q211 C214 F274V178-I221 HydrophobicContact CB-CD1 3.75Å; V178-I221 HydrophobicContact CG1-CD1 4.42Å; V178-I221 HydrophobicContact CG2-CD1 4.27Å; V178-I221 CarbonylContact O-C 3.53Å; V178-I221 VanDerWaalsContact O-CA 3.31Å; V178-I221 WeakPolarHBondContact O-CA 3.45Å; F180-I221 HydrophobicContact CD2-CG2 3.93Å; F180-I221 HydrophobicContact CE2-CG2 3.7Å; A207-I221 HydrophobicContact CB-CG2 3.81Å; L210-I221 HydrophobicContact CB-CD1 4.16Å; L210-I221 HydrophobicContact CB-CG1 4.01Å; Q211-I221 HydrophobicContact CB-CB 4.24Å; Q211-I221 HydrophobicContact CB-CG1 4.16Å; C214-I221 HydrophobicContact CB-CD1 4.31Å; C214-I221 HydrophobicContact CB-CG1 4.42Å; I221-F274 HydrophobicContact CG2-CE2 4.43Å; I221-F274 WeakPolarHBondContact O-CA 3.28Å; I221-F274 WeakPolarHBondContact O-CD2 3.5Å
222T98.6Very high94.6Very high0 Ų042.8 Ų42.80%021%0.209CC..EExtended strand (participates in β ladder)trans-117.4137.1169.1-59.10000108.6V178 C179 F180 V269 E273 F274 C276V178-T222 PolarHBondContact O-N 3.22Å; C179-T222 CarbonylContact C-O 3.54Å; C179-T222 VanDerWaalsContact CA-O 3.22Å; C179-T222 WeakPolarHBondContact CA-O 3.36Å; F180-T222 PolarHBondContact N-O 3.38Å; T222-V269 HydrophobicContact CG2-CG2 4.22Å; T222-E273 WeakPolarHBondContact CA-O 3.45Å; T222-E273 VanDerWaalsContact CB-O 3.3Å; T222-E273 WeakPolarHBondContact CB-O 3.43Å; T222-E273 WeakPolarHBondContact CG2-O 3.49Å; T222-E273 PolarHBondContact OG1-O 3.25Å; T222-F274 CarbonylContact C-O 3.36Å; T222-F274 WeakPolarHBondContact CA-O 3.48Å; T222-C276 HydrophobicContact CG2-CB 3.86Å
223I98.7Very high94.5Very high0 Ų036.9 Ų36.90%018%0.184CC..EExtended strand (participates in β ladder)trans-117.2120.5165.5-176.6163.6000108.3F180 L203 R204 A207 Y225 F274 C276F180-I223 HydrophobicContact CB-CG1 4.43Å; F180-I223 WeakPolarHBondContact O-CA 3.31Å; L203-I223 HydrophobicContact CB-CD1 4.23Å; R204-I223 HydrophobicContact CB-CD1 3.89Å; A207-I223 HydrophobicContact CB-CB 4.25Å; A207-I223 HydrophobicContact CB-CD1 4.38Å; I223-Y225 HydrophobicContact CD1-CE1 3.82Å; I223-Y225 HydrophobicContact CG1-CE1 3.82Å; I223-Y225 HydrophobicContact CG1-CE2 4.3Å; I223-Y225 HydrophobicContact CG2-CE2 3.86Å; I223-Y225 WeakPolarHBondContact CG2-OH 3.47Å; I223-F274 HydrophobicContact CG2-CD1 4.39Å; I223-F274 HydrophobicContact CG2-CE1 3.92Å; I223-F274 HydrophobicContact CG2-CZ 4.05Å; I223-F274 WeakPolarHBondContact CG2-O 3.49Å; I223-F274 PolarHBondContact N-O 2.99Å; I223-C276 PolarHBondContact O-N 3.49Å
224A98.7Very high94.4Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-97.7141.9178.900000111F180 S182 P226 I265 C276F180-A224 PolarHBondContact O-N 3.24Å; S182-A224 CarbonylContact C-O 3.51Å; S182-A224 VanDerWaalsContact CA-O 3.3Å; S182-A224 WeakPolarHBondContact CA-O 3.44Å; S182-A224 VanDerWaalsContact CB-O 3.28Å; S182-A224 WeakPolarHBondContact CB-O 3.44Å; S182-A224 PolarHBondContact N-O 2.91Å; A224-P226 VanDerWaalsContact C-CD 3.43Å; A224-P226 WeakPolarHBondContact O-CD 3.43Å; A224-I265 HydrophobicContact CB-CD1 4.07Å; A224-I265 HydrophobicContact CB-CG1 3.83Å; A224-C276 CarbonylContact C-O 3.52Å; A224-C276 WeakPolarHBondContact CA-O 2.97Å; A224-C276 HydrophobicContact CB-CB 3.9Å
225Y98Very high94.5Very high5 Ų535.3 Ų35.32%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-121.671.5179.3-54.8-73.5000110.7S183 Q187 I223 S275 C276S183-Y225 WeakPolarHBondContact O-CD1 3.11Å; Q187-Y225 HydrophobicContact CG-CD1 3.6Å; Q187-Y225 HydrophobicContact CG-CE1 3.51Å; Q187-Y225 HydrophobicContact CG-CE2 4.48Å; Q187-Y225 HydrophobicContact CG-CG 4.12Å; I223-Y225 HydrophobicContact CD1-CE1 3.82Å; I223-Y225 HydrophobicContact CG1-CE1 3.82Å; I223-Y225 HydrophobicContact CG1-CE2 4.3Å; I223-Y225 HydrophobicContact CG2-CE2 3.86Å; I223-Y225 WeakPolarHBondContact CG2-OH 3.47Å; Y225-S275 WeakPolarHBondContact CE2-OG 3.45Å; Y225-C276 PolarHBondContact N-O 2.88Å
226P97.5Very high94.8Very high7 Ų736.4 Ų36.45%0.04519%0.193CC..  trans-60143.5177.2-22.533.9000112.2I50 V181 Q184 A224 V261 I265 M278I50-P226 HydrophobicContact CD1-CB 4.21Å; I50-P226 HydrophobicContact CD1-CG 4.26Å; V181-P226 HydrophobicContact CG1-CG 3.71Å; Q184-P226 PolarHBondContact N-O 3.22Å; A224-P226 VanDerWaalsContact C-CD 3.43Å; A224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-V261 HydrophobicContact CB-CG1 4.06Å; P226-V261 HydrophobicContact CG-CG1 4.15Å; P226-I265 HydrophobicContact CG-CD1 4.31Å; P226-M278 HydrophobicContact CG-CE 4.47Å
227P95.1Very high95.1Very high21 Ų2135 Ų3514%0.13618%0.179CC..  trans-73.3-173.516232.9-33.5000110.2T229 M256P227-T229 PolarHBondContact O-N 3.36Å; P227-T229 PolarHBondContact O-OG1 3.46Å; P227-M256 HydrophobicContact CG-CB 4.36Å; P227-M256 HydrophobicContact CG-CG 3.77Å; P227-M256 HydrophobicContact CG-SD 3.44Å; P227-M256 WeakPolarHBondContact CG-SD 3.42Å
228H94.5Very high95.2Very high42 Ų4233.3 Ų33.319%0.19417%0.172CC..  trans-48.1128.6163.6-66.2-43.5000110.2F234 T249 P255 M256H228-F234 HydrophobicContact CB-CE1 4.48Å; H228-F234 HydrophobicContact CB-CE2 4.01Å; H228-F234 HydrophobicContact CB-CZ 3.9Å; H228-F234 AromaticContact CE1-CE2 3.87Å; H228-F234 AromaticContact CG-CE2 3.71Å; H228-F234 AromaticContact CG-CZ 3.83Å; H228-F234 AromaticContact ND1-CE2 3.22Å; H228-F234 WeakPolarHBondContact ND1-CE2 3.26Å; H228-F234 AromaticContact ND1-CZ 3.83Å; H228-T249 PolarHBondContact CD2-O 2.87Å; H228-T249 PolarHBondContact NE2-O 3.37Å; H228-P255 HydrophobicContact CB-CB 4.15Å; H228-P255 HydrophobicContact CB-CG 4.18Å; H228-P255 CarbonylContact O-C 3.5Å; H228-P255 VanDerWaalsContact O-CA 3.3Å; H228-P255 WeakPolarHBondContact O-CA 3.38Å; H228-M256 PolarHBondContact O-N 2.91Å
229T95.7Very high95.3Very high7 Ų737.8 Ų37.84%0.04320%0.196CC..BIsolated β-bridgetrans-128.4127.6-176.2-54.80000108.2I50 P227 T231 F234 M256 P258 V261I50-T229 HydrophobicContact CD1-CG2 4.11Å; I50-T229 HydrophobicContact CG1-CG2 3.81Å; P227-T229 PolarHBondContact O-N 3.36Å; P227-T229 PolarHBondContact O-OG1 3.46Å; T229-T231 HydrophobicContact CG2-CG2 3.96Å; T229-T231 PolarHBondContact O-N 3.24Å; T229-T231 PolarHBondContact O-OG1 2.96Å; T229-F234 WeakPolarHBondContact O-CB 3.2Å; T229-F234 WeakPolarHBondContact O-CG 3.49Å; T229-M256 CarbonylContact C-O 3.58Å; T229-M256 VanDerWaalsContact CA-O 3.31Å; T229-M256 WeakPolarHBondContact CA-O 3.4Å; T229-M256 VanDerWaalsContact CG2-O 3.31Å; T229-M256 WeakPolarHBondContact CG2-O 3.47Å; T229-P258 HydrophobicContact CG2-CB 4.28Å; T229-P258 HydrophobicContact CG2-CG 4Å; T229-V261 HydrophobicContact CG2-CB 4.33Å; T229-V261 HydrophobicContact CG2-CG2 3.84Å
230D95.9Very high95.3Very high104 Ų10444.9 Ų44.956%0.55623%0.233SC*.  trans-66.891.6-176.6-174.619.4000110.8P255 M256 P258D230-P255 HydrophobicContact CB-CB 4.26Å; D230-M256 PolarHBondContact N-O 2.79Å; D230-P258 WeakPolarHBondContact O-CD 3.49Å; D230-P258 WeakPolarHBondContact O-CG 3.48Å
231T95.4Very high95.3Very high25 Ų2543.8 Ų43.815%0.15323%0.229CC..  trans-136158.3-176.760.20000109.3G49 I50 T229 G233 F234 A235 P258G49-T231 VanDerWaalsContact CA-CG2 3.49Å; I50-T231 HydrophobicContact CG1-CG2 4.48Å; T229-T231 HydrophobicContact CG2-CG2 3.96Å; T229-T231 PolarHBondContact O-N 3.24Å; T229-T231 PolarHBondContact O-OG1 2.96Å; T231-G233 PolarHBondContact O-N 2.77Å; T231-F234 PolarHBondContact O-N 2.94Å; T231-F234 VanDerWaalsContact OG1-CB 3.25Å; T231-F234 WeakPolarHBondContact OG1-CB 3.13Å; T231-F234 PolarHBondContact OG1-N 3.11Å; T231-A235 PolarHBondContact O-N 3.18Å; T231-P258 HydrophobicContact CG2-CB 4.4Å; T231-P258 HydrophobicContact CG2-CG 3.72Å
232E92.7Very high95.2Very high110 Ų11045.7 Ų45.751%0.51424%0.242SC..Hα-helixtrans-60.3-39.6176.9-51.388.717100111A235 E236E232-A235 PolarHBondContact O-N 2.94Å; E232-E236 WeakPolarHBondContact O-CG 2.87Å; E232-E236 PolarHBondContact O-N 3.48Å
233G90.7Very high95Very high16 Ų1652.1 Ų52.117%0.16527%0.272CS..Hα-helixtrans-62.8-43.3176.700000112.9T231 E236 E237T231-G233 PolarHBondContact O-N 2.77Å; G233-E236 PolarHBondContact O-N 3.01Å; G233-E237 WeakPolarHBondContact O-CB 3.22Å; G233-E237 VanDerWaalsContact O-CG 3.27Å; G233-E237 WeakPolarHBondContact O-CG 3.3Å; G233-E237 PolarHBondContact O-N 3.38Å
234F93.4Very high94.8Very high32 Ų3254.2 Ų54.214%0.1428%0.283CS..Hα-helixtrans-63.5-43175.5172-109.1000111.8H228 T229 T231 E236 E237 W238 P255H228-F234 HydrophobicContact CB-CE1 4.48Å; H228-F234 HydrophobicContact CB-CE2 4.01Å; H228-F234 HydrophobicContact CB-CZ 3.9Å; H228-F234 AromaticContact CE1-CE2 3.87Å; H228-F234 AromaticContact CG-CE2 3.71Å; H228-F234 AromaticContact CG-CZ 3.83Å; H228-F234 AromaticContact ND1-CE2 3.22Å; H228-F234 WeakPolarHBondContact ND1-CE2 3.26Å; H228-F234 AromaticContact ND1-CZ 3.83Å; T229-F234 WeakPolarHBondContact O-CB 3.2Å; T229-F234 WeakPolarHBondContact O-CG 3.49Å; T231-F234 PolarHBondContact O-N 2.94Å; T231-F234 VanDerWaalsContact OG1-CB 3.25Å; T231-F234 WeakPolarHBondContact OG1-CB 3.13Å; T231-F234 PolarHBondContact OG1-N 3.11Å; F234-E236 PolarHBondContact O-N 3.02Å; F234-E237 PolarHBondContact O-N 3.17Å; F234-W238 HydrophobicContact CE2-CB 4.39Å; F234-W238 HydrophobicContact CE2-CD2 4.43Å; F234-W238 AromaticContact CE2-CE3 3.95Å; F234-W238 HydrophobicContact CE2-CE3 3.95Å; F234-W238 HydrophobicContact CZ-CB 4.31Å; F234-W238 HydrophobicContact CZ-CD2 4.1Å; F234-W238 AromaticContact CZ-CE3 3.97Å; F234-W238 HydrophobicContact CZ-CE3 3.97Å; F234-W238 HydrophobicContact CZ-CG 4.26Å; F234-W238 WeakPolarHBondContact O-CB 3.3Å; F234-W238 PolarHBondContact O-N 3.02Å; F234-P255 HydrophobicContact CE1-CB 4.43Å; F234-P255 HydrophobicContact CE1-CG 3.99Å; F234-P255 HydrophobicContact CZ-CG 4.47Å
235A94.1Very high94.7Very high43 Ų4354.2 Ų54.236%0.35528%0.283SS..Hα-helixtrans-62.2-42.5178.700000112.2T231 E232 N239T231-A235 PolarHBondContact O-N 3.18Å; E232-A235 PolarHBondContact O-N 2.94Å; A235-N239 PolarHBondContact O-N 3.21Å; A235-N239 VanDerWaalsContact O-N 3.13Å; A235-N239 PolarHBondContact O-ND2 3.45Å
236E94Very high94.6Very high117 Ų11755.6 Ų55.655%0.54729%0.289SS..Hα-helixtrans-61.1-49.3174.4-72.7167.6-172.300111.8E232 G233 F234 N239E232-E236 WeakPolarHBondContact O-CG 2.87Å; E232-E236 PolarHBondContact O-N 3.48Å; G233-E236 PolarHBondContact O-N 3.01Å; F234-E236 PolarHBondContact O-N 3.02Å; E236-N239 PolarHBondContact O-N 2.96Å
237E93.6Very high94.4Very high50 Ų5058.2 Ų58.223%0.23431%0.311CS..Hα-helixtrans-63.1-42.9178.5-71174.617700111.7R129 S130 G233 F234 N239 L240 T241R129-E237 WeakPolarHBondContact CA-OE1 3.28Å; S130-E237 PolarHBondContact N-OE1 3.03Å; G233-E237 WeakPolarHBondContact O-CB 3.22Å; G233-E237 VanDerWaalsContact O-CG 3.27Å; G233-E237 WeakPolarHBondContact O-CG 3.3Å; G233-E237 PolarHBondContact O-N 3.38Å; F234-E237 PolarHBondContact O-N 3.17Å; E237-N239 VanDerWaalsContact C-N 3.31Å; E237-N239 PolarHBondContact O-N 3.37Å; E237-L240 PolarHBondContact O-N 3.42Å; E237-L240 VanDerWaalsContact O-N 3.17Å; E237-T241 PolarHBondContact O-N 3Å; E237-T241 PolarHBondContact O-OG1 2.79Å
238W93.7Very high94.3Very high61 Ų6157.7 Ų57.723%0.23131%0.307CS..Hα-helixtrans-63.2-37-179.3-170.4-107.9000112.2F234 L240 T241 K246 A250F234-W238 HydrophobicContact CE2-CB 4.39Å; F234-W238 HydrophobicContact CE2-CD2 4.43Å; F234-W238 AromaticContact CE2-CE3 3.95Å; F234-W238 HydrophobicContact CE2-CE3 3.95Å; F234-W238 HydrophobicContact CZ-CB 4.31Å; F234-W238 HydrophobicContact CZ-CD2 4.1Å; F234-W238 AromaticContact CZ-CE3 3.97Å; F234-W238 HydrophobicContact CZ-CE3 3.97Å; F234-W238 HydrophobicContact CZ-CG 4.26Å; F234-W238 WeakPolarHBondContact O-CB 3.3Å; F234-W238 PolarHBondContact O-N 3.02Å; W238-L240 VanDerWaalsContact C-N 3.27Å; W238-L240 PolarHBondContact O-N 2.83Å; W238-T241 WeakPolarHBondContact CA-OG1 3.25Å; W238-T241 WeakPolarHBondContact O-CB 3.32Å; W238-T241 PolarHBondContact O-N 3.15Å; W238-K246 HydrophobicContact CD2-CD 4.49Å; W238-K246 HydrophobicContact CD2-CG 4.33Å; W238-K246 HydrophobicContact CE3-CG 4.37Å; W238-K246 HydrophobicContact CH2-CB 3.64Å; W238-K246 HydrophobicContact CH2-CD 4.42Å; W238-K246 HydrophobicContact CH2-CG 3.65Å; W238-K246 HydrophobicContact CZ2-CB 3.71Å; W238-K246 HydrophobicContact CZ2-CD 3.85Å; W238-K246 HydrophobicContact CZ2-CG 3.58Å; W238-K246 HydrophobicContact CZ3-CB 4.4Å; W238-K246 HydrophobicContact CZ3-CG 4.05Å; W238-K246 WeakPolarHBondContact O-CE 3.46Å; W238-K246 PolarHBondContact O-NZ 3.32Å; W238-A250 HydrophobicContact CH2-CB 3.87Å; W238-A250 HydrophobicContact CZ2-CB 4.19Å
239N94.5Very high94.1Very high126 Ų12656.4 Ų56.467%0.67430%0.302SS*.Hα-helixtrans-64.7-31.9177-73.4-24.6000112.9A235 E236 E237A235-N239 PolarHBondContact O-N 3.21Å; A235-N239 VanDerWaalsContact O-N 3.13Å; A235-N239 PolarHBondContact O-ND2 3.45Å; E236-N239 PolarHBondContact O-N 2.96Å; E237-N239 VanDerWaalsContact C-N 3.31Å; E237-N239 PolarHBondContact O-N 3.37Å
240L94.4Very high93.7Very high149 Ų14958 Ų5878%0.7832%0.316SS*.Hα-helixtrans-88.6-9.6177.8-61.3175.4000113.1E237 W238E237-L240 PolarHBondContact O-N 3.42Å; E237-L240 VanDerWaalsContact O-N 3.17Å; W238-L240 VanDerWaalsContact C-N 3.27Å; W238-L240 PolarHBondContact O-N 2.83Å
241T95.2Very high92.7Very high4 Ų455 Ų553%0.02531%0.31CS..SBendtrans-70.1129.3-176.4-61.20000110.5Q132 E237 W238 T245 K246Q132-T241 HydrophobicContact CB-CG2 4.39Å; Q132-T241 VanDerWaalsContact CD-OG1 3.31Å; Q132-T241 PolarHBondContact OE1-OG1 2.91Å; E237-T241 PolarHBondContact O-N 3Å; E237-T241 PolarHBondContact O-OG1 2.79Å; W238-T241 WeakPolarHBondContact CA-OG1 3.25Å; W238-T241 WeakPolarHBondContact O-CB 3.32Å; W238-T241 PolarHBondContact O-N 3.15Å; T241-T245 HydrophobicContact CG2-CG2 3.58Å; T241-K246 HydrophobicContact CG2-CG 3.67Å; T241-K246 WeakPolarHBondContact O-CE 3.5Å; T241-K246 PolarHBondContact O-NZ 3.4Å
242P95.3Very high91.8Very high41 Ų4160.4 Ų60.427%0.26634%0.338SS..  trans-58.2144.3175.3-25.934.3000112.7Q132 L244 T245 K246Q132-P242 VanDerWaalsContact O-CD 3.25Å; Q132-P242 WeakPolarHBondContact O-CD 3.22Å; P242-L244 VanDerWaalsContact C-N 3.29Å; P242-L244 PolarHBondContact O-N 3.02Å; P242-T245 WeakPolarHBondContact O-CA 3.48Å; P242-T245 VanDerWaalsContact O-CB 3.29Å; P242-T245 WeakPolarHBondContact O-CB 3.32Å; P242-T245 PolarHBondContact O-N 2.81Å; P242-K246 PolarHBondContact O-N 3.46Å
243E94.7Very high91.1Very high134 Ų13458.6 Ų58.663%0.62633%0.334SS*.Hα-helixtrans-57.6-38.7-176.2-68.1-55.4123.400113.4T245 K246 A247E243-T245 VanDerWaalsContact C-N 3.32Å; E243-T245 PolarHBondContact O-N 2.75Å; E243-K246 WeakPolarHBondContact O-CB 3.48Å; E243-K246 PolarHBondContact O-N 3.23Å; E243-K246 IonicContact OE1-NZ 3.58Å; E243-K246 PolarHBondContact OE1-NZ 3.02Å; E243-A247 PolarHBondContact O-N 3.4Å
244L94.8Very high90.9Very high45 Ų4563.9 Ų63.924%0.23636%0.363CS..Hα-helixtrans-65-38176.5-178.555.3000112Y191 P242 A247 I248 T325Y191-L244 HydrophobicContact CD1-CD2 4.36Å; Y191-L244 HydrophobicContact CD1-CG 4.04Å; Y191-L244 HydrophobicContact CE1-CB 3.96Å; Y191-L244 HydrophobicContact CE1-CD2 3.72Å; Y191-L244 HydrophobicContact CE1-CG 3.71Å; Y191-L244 HydrophobicContact CE2-CD2 4.03Å; P242-L244 VanDerWaalsContact C-N 3.29Å; P242-L244 PolarHBondContact O-N 3.02Å; L244-A247 PolarHBondContact O-N 2.72Å; L244-I248 HydrophobicContact CD1-CD1 4.34Å; L244-I248 HydrophobicContact CG-CD1 4.47Å; L244-I248 PolarHBondContact O-N 3.17Å; L244-T325 HydrophobicContact CD1-CG2 3.68Å; L244-T325 WeakPolarHBondContact CD1-O 3.23Å
245T95.7Very high90.8Very high0 Ų064.7 Ų64.70%037%0.371CS..Hα-helixtrans-63.2-46.7172.8-56.40000110.3Q132 Y191 Y193 T241 P242 E243 A247 I248 T249Q132-T245 HydrophobicContact CB-CG2 4.5Å; Y191-T245 WeakPolarHBondContact CD1-OG1 3.31Å; Y191-T245 WeakPolarHBondContact O-CG2 3.3Å; Y193-T245 HydrophobicContact CD2-CG2 3.83Å; Y193-T245 HydrophobicContact CE2-CG2 3.53Å; T241-T245 HydrophobicContact CG2-CG2 3.58Å; P242-T245 WeakPolarHBondContact O-CA 3.48Å; P242-T245 VanDerWaalsContact O-CB 3.29Å; P242-T245 WeakPolarHBondContact O-CB 3.32Å; P242-T245 PolarHBondContact O-N 2.81Å; E243-T245 VanDerWaalsContact C-N 3.32Å; E243-T245 PolarHBondContact O-N 2.75Å; T245-A247 VanDerWaalsContact C-N 3.32Å; T245-A247 PolarHBondContact O-N 3.48Å; T245-I248 PolarHBondContact O-N 3.05Å; T245-I248 VanDerWaalsContact O-N 3.1Å; T245-T249 HydrophobicContact CG2-CG2 4.12Å; T245-T249 WeakPolarHBondContact O-CG2 3.29Å; T245-T249 PolarHBondContact O-N 3.35Å; T245-T249 PolarHBondContact O-OG1 3.18Å
246K94.8Very high90.9Very high34 Ų3465.1 Ų65.115%0.14837%0.367CS..Hα-helixtrans-57.6-43.2175.5-63.5-178.8-179150.60112.1W238 T241 P242 E243 I248 T249 A250W238-K246 HydrophobicContact CD2-CD 4.49Å; W238-K246 HydrophobicContact CD2-CG 4.33Å; W238-K246 HydrophobicContact CE3-CG 4.37Å; W238-K246 HydrophobicContact CH2-CB 3.64Å; W238-K246 HydrophobicContact CH2-CD 4.42Å; W238-K246 HydrophobicContact CH2-CG 3.65Å; W238-K246 HydrophobicContact CZ2-CB 3.71Å; W238-K246 HydrophobicContact CZ2-CD 3.85Å; W238-K246 HydrophobicContact CZ2-CG 3.58Å; W238-K246 HydrophobicContact CZ3-CB 4.4Å; W238-K246 HydrophobicContact CZ3-CG 4.05Å; W238-K246 WeakPolarHBondContact O-CE 3.46Å; W238-K246 PolarHBondContact O-NZ 3.32Å; T241-K246 HydrophobicContact CG2-CG 3.67Å; T241-K246 WeakPolarHBondContact O-CE 3.5Å; T241-K246 PolarHBondContact O-NZ 3.4Å; P242-K246 PolarHBondContact O-N 3.46Å; E243-K246 WeakPolarHBondContact O-CB 3.48Å; E243-K246 PolarHBondContact O-N 3.23Å; E243-K246 IonicContact OE1-NZ 3.58Å; E243-K246 PolarHBondContact OE1-NZ 3.02Å; K246-I248 PolarHBondContact O-N 2.94Å; K246-I248 VanDerWaalsContact O-N 3.17Å; K246-T249 PolarHBondContact O-N 3.06Å; K246-A250 WeakPolarHBondContact O-CB 3.46Å; K246-A250 PolarHBondContact O-N 3.43Å
247A93.6Very high91.1Very high61 Ų6166.2 Ų66.250%0.50437%0.37SS..Hα-helixtrans-61.2-25.4179.600000113.4E243 L244 T245 T325E243-A247 PolarHBondContact O-N 3.4Å; L244-A247 PolarHBondContact O-N 2.72Å; T245-A247 VanDerWaalsContact C-N 3.32Å; T245-A247 PolarHBondContact O-N 3.48Å; A247-T325 HydrophobicContact CB-CG2 3.93Å
248I92.7Very high91.3Very high11 Ų1165.2 Ų65.26%0.05637%0.368CS..Hα-helixtrans-90.8-40.5177.5-70.2163.7000111.2L190 Y191 L244 T245 K246 F322 T325 V326L190-I248 HydrophobicContact CD2-CG2 4.13Å; Y191-I248 VanDerWaalsContact CB-CD1 3.44Å; Y191-I248 HydrophobicContact CD1-CD1 4.25Å; Y191-I248 HydrophobicContact CG-CD1 3.95Å; L244-I248 HydrophobicContact CD1-CD1 4.34Å; L244-I248 HydrophobicContact CG-CD1 4.47Å; L244-I248 PolarHBondContact O-N 3.17Å; T245-I248 PolarHBondContact O-N 3.05Å; T245-I248 VanDerWaalsContact O-N 3.1Å; K246-I248 PolarHBondContact O-N 2.94Å; K246-I248 VanDerWaalsContact O-N 3.17Å; I248-F322 HydrophobicContact CB-CD1 4.5Å; I248-F322 HydrophobicContact CG1-CD1 4.46Å; I248-F322 HydrophobicContact CG2-CD1 3.83Å; I248-F322 HydrophobicContact CG2-CE1 4.05Å; I248-F322 HydrophobicContact CG2-CG 4.17Å; I248-T325 HydrophobicContact CD1-CG2 4.37Å; I248-T325 HydrophobicContact CG1-CG2 3.88Å; I248-V326 HydrophobicContact CD1-CG2 3.48Å; I248-V326 VanDerWaalsContact CD1-CG2 3.48Å
249T92Very high91.5Very high14 Ų1464.7 Ų64.79%0.08638%0.376CS..Hα-helixtrans-98.5-16.1-169.466.60000114.9L190 Y193 H228 T245 K246 G251L190-T249 HydrophobicContact CB-CG2 4.33Å; L190-T249 HydrophobicContact CD1-CG2 3.94Å; Y193-T249 HydrophobicContact CD2-CG2 4.24Å; Y193-T249 HydrophobicContact CE2-CG2 3.69Å; H228-T249 PolarHBondContact CD2-O 2.87Å; H228-T249 PolarHBondContact NE2-O 3.37Å; T245-T249 HydrophobicContact CG2-CG2 4.12Å; T245-T249 WeakPolarHBondContact O-CG2 3.29Å; T245-T249 PolarHBondContact O-N 3.35Å; T245-T249 PolarHBondContact O-OG1 3.18Å; K246-T249 PolarHBondContact O-N 3.06Å; T249-G251 PolarHBondContact O-N 3.17Å
250A86.5Confident91.7Very high42 Ų4261.9 Ų61.935%0.34736%0.361SS..SBendtrans-56.2-35.5-178.100000112.5W238 K246W238-A250 HydrophobicContact CH2-CB 3.87Å; W238-A250 HydrophobicContact CZ2-CB 4.19Å; K246-A250 WeakPolarHBondContact O-CB 3.46Å; K246-A250 PolarHBondContact O-N 3.43Å
251G75.8Confident91.8Very high41 Ų4154.8 Ų54.842%0.42332%0.324SS..  trans61.8-171.6-17300000112.3T249T249-G251 PolarHBondContact O-N 3.17Å
252D75Confident92Very high138 Ų13854.6 Ų54.674%0.73832%0.323SS*.SBendtrans-103.3-1.9174.4-61.1-41.9000111.8
253T78.5Confident92.1Very high71 Ų7157.4 Ų57.444%0.43633%0.328SS..SBendtrans-98.9133.2-175.760.60000112.3
254V86.7Confident92.3Very high128 Ų12854.5 Ų54.578%0.77631%0.314SS*.PPolyproline II helixtrans-60.8138171.3-178.10000109.9M256V254-M256 PolarHBondContact O-N 2.81Å
255P91.9Very high92.5Very high48 Ų4852.4 Ų52.431%0.31230%0.303SS..PPolyproline II helixtrans-50.6136174.4-28.835.6000112.6H228 D230 F234H228-P255 HydrophobicContact CB-CB 4.15Å; H228-P255 HydrophobicContact CB-CG 4.18Å; H228-P255 CarbonylContact O-C 3.5Å; H228-P255 VanDerWaalsContact O-CA 3.3Å; H228-P255 WeakPolarHBondContact O-CA 3.38Å; D230-P255 HydrophobicContact CB-CB 4.26Å; F234-P255 HydrophobicContact CE1-CB 4.43Å; F234-P255 HydrophobicContact CE1-CG 3.99Å; F234-P255 HydrophobicContact CZ-CG 4.47Å
256M95.8Very high92.6Very high53 Ų5352.4 Ų52.426%0.26130%0.303SS..BIsolated β-bridgetrans-71.2151.8179.2-72.3-172.767.500111.3P227 H228 T229 D230 V254 D260 V261 M278P227-M256 HydrophobicContact CG-CB 4.36Å; P227-M256 HydrophobicContact CG-CG 3.77Å; P227-M256 HydrophobicContact CG-SD 3.44Å; P227-M256 WeakPolarHBondContact CG-SD 3.42Å; H228-M256 PolarHBondContact O-N 2.91Å; T229-M256 CarbonylContact C-O 3.58Å; T229-M256 VanDerWaalsContact CA-O 3.31Å; T229-M256 WeakPolarHBondContact CA-O 3.4Å; T229-M256 VanDerWaalsContact CG2-O 3.31Å; T229-M256 WeakPolarHBondContact CG2-O 3.47Å; D230-M256 PolarHBondContact N-O 2.79Å; V254-M256 PolarHBondContact O-N 2.81Å; M256-D260 HydrophobicContact CE-CB 4.29Å; M256-V261 HydrophobicContact CB-CG2 3.62Å; M256-V261 HydrophobicContact CE-CG2 4.07Å; M256-V261 HydrophobicContact SD-CG2 4.18Å; M256-M278 HydrophobicContact CE-CB 4.16Å; M256-M278 HydrophobicContact CE-CG 4.46Å; M256-M278 HydrophobicContact SD-CB 3.65Å; M256-M278 HydrophobicContact SD-CG 4.35Å
257K97.5Very high92.8Very high140 Ų14053.3 Ų53.361%0.60931%0.31SS*.PPolyproline II helixtrans-71.3139.7172.4-65.9179.7-179.8178.10110.5A259 D260 V261K257-A259 PolarHBondContact O-N 3.09Å; K257-D260 PolarHBondContact O-N 3.41Å; K257-V261 PolarHBondContact O-N 3.24Å; K257-V261 VanDerWaalsContact O-N 3.12Å
258P97.8Very high93Very high29 Ų2950.5 Ų50.519%0.18829%0.286CS..Hα-helixtrans-55.5-37.9177.9-26.634.2000113.3A53 T229 D230 T231 D260 V261 G262A53-P258 VanDerWaalsContact CB-C 3.43Å; A53-P258 HydrophobicContact CB-CB 4Å; A53-P258 WeakPolarHBondContact CB-O 3.32Å; T229-P258 HydrophobicContact CG2-CB 4.28Å; T229-P258 HydrophobicContact CG2-CG 4Å; D230-P258 WeakPolarHBondContact O-CD 3.49Å; D230-P258 WeakPolarHBondContact O-CG 3.48Å; T231-P258 HydrophobicContact CG2-CB 4.4Å; T231-P258 HydrophobicContact CG2-CG 3.72Å; P258-D260 VanDerWaalsContact C-N 3.34Å; P258-D260 PolarHBondContact O-N 2.91Å; P258-V261 PolarHBondContact O-N 3.34Å; P258-G262 PolarHBondContact O-N 3.34Å
259A98Very high93.3Very high50 Ų5050 Ų5041%0.41328%0.284SS..Hα-helixtrans-60.7-40.3178.500000112.9K257 R263K257-A259 PolarHBondContact O-N 3.09Å; A259-R263 WeakPolarHBondContact O-CB 3.42Å; A259-R263 PolarHBondContact O-N 3.35Å
260D98Very high93.5Very high66 Ų6649.7 Ų49.735%0.35328%0.283SS..Hα-helixtrans-74.9-38.7179.8-64.3-40000111.1M256 K257 P258 R263 H264M256-D260 HydrophobicContact CE-CB 4.29Å; K257-D260 PolarHBondContact O-N 3.41Å; P258-D260 VanDerWaalsContact C-N 3.34Å; P258-D260 PolarHBondContact O-N 2.91Å; D260-R263 IonicContact OD1-CZ 2.94Å; D260-R263 IonicContact OD1-NH1 3.24Å; D260-R263 PolarHBondContact OD1-NH1 3.34Å; D260-H264 WeakPolarHBondContact O-CB 3.39Å; D260-H264 PolarHBondContact O-N 3.21Å
261V98.4Very high94Very high0 Ų052.7 Ų52.70%029%0.288CS..Hα-helixtrans-61.4-49.2172.7175.20000110.8I50 P226 T229 M256 K257 P258 R263 H264 I265 M278I50-V261 HydrophobicContact CD1-CG1 3.96Å; I50-V261 HydrophobicContact CG1-CG1 3.99Å; I50-V261 HydrophobicContact CG2-CG1 4.06Å; P226-V261 HydrophobicContact CB-CG1 4.06Å; P226-V261 HydrophobicContact CG-CG1 4.15Å; T229-V261 HydrophobicContact CG2-CB 4.33Å; T229-V261 HydrophobicContact CG2-CG2 3.84Å; M256-V261 HydrophobicContact CB-CG2 3.62Å; M256-V261 HydrophobicContact CE-CG2 4.07Å; M256-V261 HydrophobicContact SD-CG2 4.18Å; K257-V261 PolarHBondContact O-N 3.24Å; K257-V261 VanDerWaalsContact O-N 3.12Å; P258-V261 PolarHBondContact O-N 3.34Å; V261-R263 PolarHBondContact O-N 2.72Å; V261-H264 PolarHBondContact O-N 3.3Å; V261-I265 HydrophobicContact CG1-CD1 3.83Å; V261-I265 HydrophobicContact CG1-CG1 4.48Å; V261-I265 VanDerWaalsContact O-CG1 3.3Å; V261-I265 WeakPolarHBondContact O-CG1 3.46Å; V261-I265 PolarHBondContact O-N 3.09Å; V261-M278 HydrophobicContact CG1-CE 4.08Å
262G98.4Very high94.9Very high0 Ų051.1 Ų51.10%027%0.272CS..Hα-helixtrans-61.3-42179.700000113P258 L266P258-G262 PolarHBondContact O-N 3.34Å; G262-L266 PolarHBondContact O-N 3.25Å; G262-L266 VanDerWaalsContact O-N 3.07Å
263R98.3Very high95.9Very high101 Ų10146.8 Ų46.838%0.38125%0.247SC..Hα-helixtrans-61.5-48.5174.2-170.4-173.1-59.1120.53111.9A259 D260 V261 I265 L266 D267A259-R263 WeakPolarHBondContact O-CB 3.42Å; A259-R263 PolarHBondContact O-N 3.35Å; D260-R263 IonicContact OD1-CZ 2.94Å; D260-R263 IonicContact OD1-NH1 3.24Å; D260-R263 PolarHBondContact OD1-NH1 3.34Å; V261-R263 PolarHBondContact O-N 2.72Å; R263-I265 VanDerWaalsContact C-N 3.34Å; R263-I265 PolarHBondContact O-N 2.91Å; R263-L266 PolarHBondContact O-N 3.44Å; R263-D267 VanDerWaalsContact O-CG 3.3Å; R263-D267 PolarHBondContact O-N 3.31Å
264H98.1Very high96.8Very high73 Ų7343.8 Ų43.834%0.33823%0.228SC..Hα-helixtrans-63.9-39.2-178.1-163.687.1000112.5D260 V261 D267 S268 H277 M278D260-H264 WeakPolarHBondContact O-CB 3.39Å; D260-H264 PolarHBondContact O-N 3.21Å; V261-H264 PolarHBondContact O-N 3.3Å; H264-D267 PolarHBondContact O-N 3.1Å; H264-S268 PolarHBondContact O-N 2.85Å; H264-S268 VanDerWaalsContact O-N 3.12Å; H264-S268 PolarHBondContact O-OG 3.36Å; H264-H277 PolarHBondContact NE2-O 2.63Å; H264-M278 HydrophobicContact CB-CE 4.3Å; H264-M278 HydrophobicContact CB-CG 4.31Å
265I98.7Very high97.3Very high0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-59.7-51.3172.9-69.6171.7000110I50 I54 V181 A224 P226 V261 R263 D267 S268 V269 M278I50-I265 HydrophobicContact CG2-CD1 3.98Å; I54-I265 HydrophobicContact CD1-CB 4.39Å; I54-I265 HydrophobicContact CD1-CD1 3.91Å; I54-I265 HydrophobicContact CD1-CG2 4.05Å; V181-I265 HydrophobicContact CG1-CD1 4.38Å; V181-I265 HydrophobicContact CG2-CD1 4.28Å; A224-I265 HydrophobicContact CB-CD1 4.07Å; A224-I265 HydrophobicContact CB-CG1 3.83Å; P226-I265 HydrophobicContact CG-CD1 4.31Å; V261-I265 HydrophobicContact CG1-CD1 3.83Å; V261-I265 HydrophobicContact CG1-CG1 4.48Å; V261-I265 VanDerWaalsContact O-CG1 3.3Å; V261-I265 WeakPolarHBondContact O-CG1 3.46Å; V261-I265 PolarHBondContact O-N 3.09Å; R263-I265 VanDerWaalsContact C-N 3.34Å; R263-I265 PolarHBondContact O-N 2.91Å; I265-D267 VanDerWaalsContact C-N 3.31Å; I265-D267 PolarHBondContact O-N 3.06Å; I265-S268 WeakPolarHBondContact O-CB 3.16Å; I265-S268 PolarHBondContact O-N 2.97Å; I265-S268 VanDerWaalsContact O-N 3.16Å; I265-V269 HydrophobicContact CG2-CG2 4.22Å; I265-V269 WeakPolarHBondContact O-CB 3.18Å; I265-V269 WeakPolarHBondContact O-CG2 3.5Å; I265-V269 PolarHBondContact O-N 3.06Å; I265-M278 HydrophobicContact CD1-CE 4.03Å; I265-M278 HydrophobicContact CG1-CE 3.39Å
266L98.4Very high97.6Very high0 Ų036 Ų360%018%0.18CC..Hα-helixtrans-67.7-28.5-178.2-76-172.9000114.1F36 I54 E57 A58 R61 I124 G262 R263 V269 A270F36-L266 HydrophobicContact CE2-CB 4.46Å; F36-L266 HydrophobicContact CE2-CD1 4Å; F36-L266 HydrophobicContact CE2-CD2 3.85Å; F36-L266 HydrophobicContact CE2-CG 4.33Å; F36-L266 HydrophobicContact CZ-CD2 4.28Å; I54-L266 HydrophobicContact CG2-CD1 4.06Å; I54-L266 HydrophobicContact CG2-CD2 3.93Å; I54-L266 HydrophobicContact CG2-CG 3.95Å; I54-L266 WeakPolarHBondContact O-CD1 3.33Å; E57-L266 HydrophobicContact CB-CD1 3.79Å; E57-L266 HydrophobicContact CG-CB 4.33Å; E57-L266 HydrophobicContact CG-CD1 3.68Å; A58-L266 HydrophobicContact CB-CD1 3.92Å; R61-L266 PolarHBondContact NH1-O 3.09Å; I124-L266 HydrophobicContact CD1-CD2 4.19Å; G262-L266 PolarHBondContact O-N 3.25Å; G262-L266 VanDerWaalsContact O-N 3.07Å; R263-L266 PolarHBondContact O-N 3.44Å; L266-V269 HydrophobicContact CD2-CB 4.38Å; L266-V269 HydrophobicContact CD2-CG1 4.43Å; L266-A270 WeakPolarHBondContact O-CB 3.41Å; L266-A270 PolarHBondContact O-N 3.38Å
267D98.2Very high97.6Very high54 Ų5435.3 Ų35.329%0.28918%0.176SC..Hα-helixtrans-64-43.9170.7-71.3-21.7000111.8R61 R263 H264 I265 A270 K271R61-D267 IonicContact CZ-OD1 3.15Å; R61-D267 VanDerWaalsContact CZ-OD1 3.24Å; R61-D267 IonicContact NH1-OD1 2.79Å; R61-D267 PolarHBondContact NH1-OD1 2.91Å; R61-D267 IonicContact NH2-OD1 2.93Å; R61-D267 PolarHBondContact NH2-OD1 3.07Å; R263-D267 VanDerWaalsContact O-CG 3.3Å; R263-D267 PolarHBondContact O-N 3.31Å; H264-D267 PolarHBondContact O-N 3.1Å; I265-D267 VanDerWaalsContact C-N 3.31Å; I265-D267 PolarHBondContact O-N 3.06Å; D267-A270 PolarHBondContact O-N 3.3Å; D267-K271 VanDerWaalsContact O-CG 3.26Å; D267-K271 WeakPolarHBondContact O-CG 3.41Å; D267-K271 PolarHBondContact O-N 3.48Å; D267-K271 VanDerWaalsContact O-N 3.09Å
268S98Very high97.5Very high1 Ų128.9 Ų28.91%0.00715%0.149CC..Hα-helixtrans-66-44.5177.7-51.80000110.9H264 I265 A270 K271 G272 E273 C276H264-S268 PolarHBondContact O-N 2.85Å; H264-S268 VanDerWaalsContact O-N 3.12Å; H264-S268 PolarHBondContact O-OG 3.36Å; I265-S268 WeakPolarHBondContact O-CB 3.16Å; I265-S268 PolarHBondContact O-N 2.97Å; I265-S268 VanDerWaalsContact O-N 3.16Å; S268-A270 PolarHBondContact O-N 2.9Å; S268-K271 PolarHBondContact O-N 3.08Å; S268-G272 PolarHBondContact O-N 2.77Å; S268-E273 WeakPolarHBondContact CA-OE2 3.24Å; S268-E273 PolarHBondContact O-N 3.12Å; S268-E273 PolarHBondContact OG-OE2 2.95Å; S268-C276 WeakPolarHBondContact OG-CB 3.41Å; S268-C276 PolarHBondContact OG-SG 3.46Å
269V98.5Very high97.2Very high0 Ų030.1 Ų30.10%017%0.167CC..Hα-helixtrans-59.2-47.3174167.60000110.9I122 I124 R177 C179 T222 I265 L266 K271 G272I122-V269 HydrophobicContact CG2-CG1 4.05Å; I124-V269 HydrophobicContact CD1-CG2 4.23Å; R177-V269 HydrophobicContact CB-CG1 3.71Å; R177-V269 WeakPolarHBondContact CD-O 3.35Å; R177-V269 HydrophobicContact CG-CG1 3.75Å; R177-V269 PolarHBondContact NE-O 3.45Å; C179-V269 HydrophobicContact CB-CG2 3.67Å; T222-V269 HydrophobicContact CG2-CG2 4.22Å; I265-V269 HydrophobicContact CG2-CG2 4.22Å; I265-V269 WeakPolarHBondContact O-CB 3.18Å; I265-V269 WeakPolarHBondContact O-CG2 3.5Å; I265-V269 PolarHBondContact O-N 3.06Å; L266-V269 HydrophobicContact CD2-CB 4.38Å; L266-V269 HydrophobicContact CD2-CG1 4.43Å; V269-K271 VanDerWaalsContact C-N 3.32Å; V269-K271 PolarHBondContact O-N 3Å; V269-G272 PolarHBondContact O-N 3.04Å; V269-G272 VanDerWaalsContact O-N 3.09Å
270A97.7Very high96.9Very high9 Ų933.5 Ų33.57%0.07418%0.177CC..Hα-helixtrans-59.3-44.3179.900000111.5P32 I33 F36 R177 L266 D267 S268 G272P32-A270 CarbonylContact C-O 3.58Å; P32-A270 VanDerWaalsContact CA-O 3.3Å; P32-A270 WeakPolarHBondContact CA-O 3.42Å; I33-A270 PolarHBondContact N-O 3.09Å; F36-A270 HydrophobicContact CE1-CB 4Å; F36-A270 HydrophobicContact CZ-CB 4.17Å; R177-A270 PolarHBondContact NH2-O 3.41Å; L266-A270 WeakPolarHBondContact O-CB 3.41Å; L266-A270 PolarHBondContact O-N 3.38Å; D267-A270 PolarHBondContact O-N 3.3Å; S268-A270 PolarHBondContact O-N 2.9Å; A270-G272 VanDerWaalsContact C-N 3.28Å; A270-G272 PolarHBondContact O-N 2.67Å
271K95.8Very high96.6Very high105 Ų10532.6 Ų32.646%0.45717%0.171SC..Hα-helixtrans-70.8-19.4177.4-66.8169.5-168.7167.70114D267 S268 V269 E273D267-K271 VanDerWaalsContact O-CG 3.26Å; D267-K271 WeakPolarHBondContact O-CG 3.41Å; D267-K271 PolarHBondContact O-N 3.48Å; D267-K271 VanDerWaalsContact O-N 3.09Å; S268-K271 PolarHBondContact O-N 3.08Å; V269-K271 VanDerWaalsContact C-N 3.32Å; V269-K271 PolarHBondContact O-N 3Å; K271-E273 HydrophobicContact CB-CG 3.91Å; K271-E273 HydrophobicContact CD-CG 4.33Å; K271-E273 WeakPolarHBondContact CD-OE1 3.41Å; K271-E273 IonicContact NZ-OE1 2.79Å
272G95.2Very high96.5Very high8 Ų832.6 Ų32.68%0.08217%0.171CC..THydrogen-bonded Turntrans72.931.5-173.200000112.7S268 V269 A270S268-G272 PolarHBondContact O-N 2.77Å; V269-G272 PolarHBondContact O-N 3.04Å; V269-G272 VanDerWaalsContact O-N 3.09Å; A270-G272 VanDerWaalsContact C-N 3.28Å; A270-G272 PolarHBondContact O-N 2.67Å
273E95.9Very high96.3Very high46 Ų4636.1 Ų36.122%0.21519%0.185CC..  trans-69.6136.5173.8-72.9173.8171.900109.6T222 S268 K271 N296T222-E273 WeakPolarHBondContact CA-O 3.45Å; T222-E273 VanDerWaalsContact CB-O 3.3Å; T222-E273 WeakPolarHBondContact CB-O 3.43Å; T222-E273 WeakPolarHBondContact CG2-O 3.49Å; T222-E273 PolarHBondContact OG1-O 3.25Å; S268-E273 WeakPolarHBondContact CA-OE2 3.24Å; S268-E273 PolarHBondContact O-N 3.12Å; S268-E273 PolarHBondContact OG-OE2 2.95Å; K271-E273 HydrophobicContact CB-CG 3.91Å; K271-E273 HydrophobicContact CD-CG 4.33Å; K271-E273 WeakPolarHBondContact CD-OE1 3.41Å; K271-E273 IonicContact NZ-OE1 2.79Å; E273-N296 HydrophobicContact CB-CB 4.32Å; E273-N296 HydrophobicContact CG-CB 4.03Å
274F96.8Very high96.2Very high8 Ų833 Ų334%0.03517%0.174CC..SBendtrans-75-51.5179.6-179.7-99000111.3A207 E208 Q211 I221 T222 I223 P294 N296A207-F274 HydrophobicContact CB-CE2 4.2Å; A207-F274 HydrophobicContact CB-CZ 4.16Å; E208-F274 HydrophobicContact CB-CZ 4.32Å; E208-F274 HydrophobicContact CG-CE1 4.02Å; E208-F274 HydrophobicContact CG-CZ 3.55Å; Q211-F274 HydrophobicContact CB-CD2 4.17Å; Q211-F274 HydrophobicContact CB-CE2 4Å; Q211-F274 HydrophobicContact CG-CD2 4.15Å; Q211-F274 HydrophobicContact CG-CE2 4.46Å; I221-F274 HydrophobicContact CG2-CE2 4.43Å; I221-F274 WeakPolarHBondContact O-CA 3.28Å; I221-F274 WeakPolarHBondContact O-CD2 3.5Å; T222-F274 CarbonylContact C-O 3.36Å; T222-F274 WeakPolarHBondContact CA-O 3.48Å; I223-F274 HydrophobicContact CG2-CD1 4.39Å; I223-F274 HydrophobicContact CG2-CE1 3.92Å; I223-F274 HydrophobicContact CG2-CZ 4.05Å; I223-F274 WeakPolarHBondContact CG2-O 3.49Å; I223-F274 PolarHBondContact N-O 2.99Å; F274-P294 HydrophobicContact CB-CB 3.93Å; F274-P294 HydrophobicContact CD1-CB 4.07Å; F274-P294 HydrophobicContact CD1-CG 4.12Å; F274-P294 WeakPolarHBondContact CD1-O 3.3Å; F274-P294 HydrophobicContact CD2-CB 4.19Å; F274-P294 HydrophobicContact CD2-CG 3.95Å; F274-P294 HydrophobicContact CE1-CG 4.35Å; F274-P294 HydrophobicContact CE2-CG 4.16Å; F274-P294 HydrophobicContact CG-CB 3.77Å; F274-P294 HydrophobicContact CG-CG 3.94Å; F274-P294 HydrophobicContact CZ-CG 4.36Å; F274-N296 PolarHBondContact N-OD1 3.03Å
275S97.3Very high96.1Very high11 Ų1131.1 Ų31.18%0.07717%0.167CC..EExtended strand (participates in β ladder)trans-102.1118178.8-1800000110.5Y225 S286 N296Y225-S275 WeakPolarHBondContact CE2-OG 3.45Å; S275-S286 PolarHBondContact OG-OG 2.96Å; S275-N296 PolarHBondContact N-OD1 3.31Å; S275-N296 PolarHBondContact O-ND2 3.44Å
276C98Very high96Very high1 Ų131.4 Ų31.41%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-102.5112.5172171.80000109.3T222 I223 A224 Y225 S268 M278T222-C276 HydrophobicContact CG2-CB 3.86Å; I223-C276 PolarHBondContact O-N 3.49Å; A224-C276 CarbonylContact C-O 3.52Å; A224-C276 WeakPolarHBondContact CA-O 2.97Å; A224-C276 HydrophobicContact CB-CB 3.9Å; Y225-C276 PolarHBondContact N-O 2.88Å; S268-C276 WeakPolarHBondContact OG-CB 3.41Å; S268-C276 PolarHBondContact OG-SG 3.46Å; C276-M278 VanDerWaalsContact SG-CE 3.59Å
277H96.1Very high95.9Very high39 Ų3931.4 Ų31.418%0.18117%0.169CC..EExtended strand (participates in β ladder)trans-124.2144.4-178.354.7-99.8000110.7H264 W283H264-H277 PolarHBondContact NE2-O 2.63Å; H277-W283 AromaticContact NE2-CD1 3.47Å
278M94.9Very high95.8Very high5 Ų531.1 Ų31.13%0.02517%0.169CC..  trans-121.9140.1-179.3-53.588.516800111.5P226 M256 V261 H264 I265 C276 G282P226-M278 HydrophobicContact CG-CE 4.47Å; M256-M278 HydrophobicContact CE-CB 4.16Å; M256-M278 HydrophobicContact CE-CG 4.46Å; M256-M278 HydrophobicContact SD-CB 3.65Å; M256-M278 HydrophobicContact SD-CG 4.35Å; V261-M278 HydrophobicContact CG1-CE 4.08Å; H264-M278 HydrophobicContact CB-CE 4.3Å; H264-M278 HydrophobicContact CB-CG 4.31Å; I265-M278 HydrophobicContact CD1-CE 4.03Å; I265-M278 HydrophobicContact CG1-CE 3.39Å; C276-M278 VanDerWaalsContact SG-CE 3.59Å; M278-G282 WeakPolarHBondContact O-CA 3.31Å; M278-G282 PolarHBondContact O-N 3.43Å
279G92.6Very high95.7Very high56 Ų5632.4 Ų32.458%0.57718%0.178SC*.Hα-helixtrans70.3176.6-179.900000113.5W283G279-W283 WeakPolarHBondContact O-CB 3.5Å; G279-W283 PolarHBondContact O-N 2.92Å; G279-W283 VanDerWaalsContact O-N 3.07Å
280L92.4Very high95.4Very high120 Ų12032.6 Ų32.663%0.62818%0.179SC*.Hα-helixtrans-65.8-43.8-178.6-178.163.1000111.5W283 M284L280-W283 HydrophobicContact CD1-CE3 3.85Å; L280-W283 HydrophobicContact CD1-CZ3 4.18Å; L280-W283 PolarHBondContact O-N 2.92Å; L280-M284 HydrophobicContact CD1-CG 4.45Å; L280-M284 HydrophobicContact CG-CE 4.25Å; L280-M284 HydrophobicContact CG-SD 4.48Å; L280-M284 VanDerWaalsContact O-CG 3.3Å; L280-M284 WeakPolarHBondContact O-CG 3.21Å; L280-M284 PolarHBondContact O-N 2.78Å
281E92Very high95.1Very high47 Ų4734.7 Ų34.722%0.2220%0.201CC..Hα-helixtrans-63-45179.8-63.7-177.9166.100112.1W283 M284 L285E281-W283 VanDerWaalsContact C-N 3.35Å; E281-W283 PolarHBondContact O-N 3.15Å; E281-M284 HydrophobicContact CG-CE 4.28Å; E281-M284 PolarHBondContact O-N 3.28Å; E281-L285 WeakPolarHBondContact O-CB 3.41Å; E281-L285 WeakPolarHBondContact O-CG 3.41Å; E281-L285 PolarHBondContact O-N 3.36Å
282G94.6Very high94.9Very high0 Ų038.5 Ų38.50%022%0.223CC..Hα-helixtrans-61.6-42.6175.300000112M278 L285 S286M278-G282 WeakPolarHBondContact O-CA 3.31Å; M278-G282 PolarHBondContact O-N 3.43Å; G282-L285 PolarHBondContact O-N 3.38Å; G282-S286 WeakPolarHBondContact O-CB 3.45Å; G282-S286 PolarHBondContact O-N 3.06Å
283W95.6Very high94.8Very high75 Ų7539.1 Ų39.128%0.28423%0.227SC..Hα-helixtrans-62.2-44174.6171.676.7000112.3H277 G279 L280 E281 T287 T303 A307 L311H277-W283 AromaticContact NE2-CD1 3.47Å; G279-W283 WeakPolarHBondContact O-CB 3.5Å; G279-W283 PolarHBondContact O-N 2.92Å; G279-W283 VanDerWaalsContact O-N 3.07Å; L280-W283 HydrophobicContact CD1-CE3 3.85Å; L280-W283 HydrophobicContact CD1-CZ3 4.18Å; L280-W283 PolarHBondContact O-N 2.92Å; E281-W283 VanDerWaalsContact C-N 3.35Å; E281-W283 PolarHBondContact O-N 3.15Å; W283-T287 VanDerWaalsContact O-CB 3.27Å; W283-T287 WeakPolarHBondContact O-CB 3.37Å; W283-T287 PolarHBondContact O-N 2.96Å; W283-T287 PolarHBondContact O-OG1 3.1Å; W283-T303 HydrophobicContact CZ2-CG2 3.81Å; W283-A307 HydrophobicContact CH2-CB 4.39Å; W283-A307 HydrophobicContact CZ2-CB 4.48Å; W283-L311 HydrophobicContact CH2-CD1 4.03Å; W283-L311 HydrophobicContact CZ3-CD1 4.02Å; W283-L311 HydrophobicContact CZ3-CD2 4.3Å
284M95.5Very high94.6Very high34 Ų3439 Ų3917%0.16723%0.229CC..Hα-helixtrans-62.3-45.8177.6-71.2-169.3-62.800111.5L280 E281 T287 V288 L311L280-M284 HydrophobicContact CD1-CG 4.45Å; L280-M284 HydrophobicContact CG-CE 4.25Å; L280-M284 HydrophobicContact CG-SD 4.48Å; L280-M284 VanDerWaalsContact O-CG 3.3Å; L280-M284 WeakPolarHBondContact O-CG 3.21Å; L280-M284 PolarHBondContact O-N 2.78Å; E281-M284 HydrophobicContact CG-CE 4.28Å; E281-M284 PolarHBondContact O-N 3.28Å; M284-T287 PolarHBondContact O-N 3.35Å; M284-V288 WeakPolarHBondContact O-CG1 3.09Å; M284-V288 PolarHBondContact O-N 3.33Å; M284-L311 HydrophobicContact CB-CD1 4.43Å; M284-L311 HydrophobicContact CB-CD2 4.27Å; M284-L311 HydrophobicContact CG-CD1 4.33Å; M284-L311 HydrophobicContact CG-CD2 3.63Å; M284-L311 HydrophobicContact SD-CD2 3.74Å
285L95.2Very high94.3Very high34 Ų3439.8 Ų39.818%0.17824%0.238CC..Hα-helixtrans-61.7-52176.7-77.4171.5000111.4Q184 I188 E281 G282 T287 V288 C289Q184-L285 HydrophobicContact CB-CD1 3.87Å; Q184-L285 HydrophobicContact CG-CD1 4.11Å; I188-L285 HydrophobicContact CB-CD2 4.27Å; I188-L285 HydrophobicContact CG2-CD2 4.26Å; E281-L285 WeakPolarHBondContact O-CB 3.41Å; E281-L285 WeakPolarHBondContact O-CG 3.41Å; E281-L285 PolarHBondContact O-N 3.36Å; G282-L285 PolarHBondContact O-N 3.38Å; L285-T287 PolarHBondContact O-N 2.98Å; L285-V288 PolarHBondContact O-N 3.17Å; L285-C289 WeakPolarHBondContact O-CB 3.19Å; L285-C289 PolarHBondContact O-N 3.36Å; L285-C289 PolarHBondContact O-SG 3.35Å; L285-C289 VanDerWaalsContact O-SG 3.32Å
286S96.3Very high94.1Very high6 Ų641 Ų414%0.04224%0.243CC..Hα-helixtrans-58.5-36.1176.5-82.40000112.8Q187 S275 G282 A290Q187-S286 VanDerWaalsContact NE2-CA 3.3Å; Q187-S286 PolarHBondContact NE2-OG 3.42Å; S275-S286 PolarHBondContact OG-OG 2.96Å; G282-S286 WeakPolarHBondContact O-CB 3.45Å; G282-S286 PolarHBondContact O-N 3.06Å; S286-A290 WeakPolarHBondContact O-CA 3.34Å; S286-A290 WeakPolarHBondContact O-CB 3.49Å; S286-A290 PolarHBondContact O-N 3.27Å
287T96.5Very high93.7Very high1 Ų142.7 Ų42.71%0.00626%0.255CS..Hα-helixtrans-69-53.6177.8-61.80000111.9W283 M284 L285 C289 A290 Q304 A307 M308 L311W283-T287 VanDerWaalsContact O-CB 3.27Å; W283-T287 WeakPolarHBondContact O-CB 3.37Å; W283-T287 PolarHBondContact O-N 2.96Å; W283-T287 PolarHBondContact O-OG1 3.1Å; M284-T287 PolarHBondContact O-N 3.35Å; L285-T287 PolarHBondContact O-N 2.98Å; T287-C289 VanDerWaalsContact C-N 3.25Å; T287-C289 PolarHBondContact O-N 2.9Å; T287-A290 WeakPolarHBondContact O-CB 3.36Å; T287-A290 PolarHBondContact O-N 3.27Å; T287-Q304 HydrophobicContact CG2-CB 4.32Å; T287-Q304 HydrophobicContact CG2-CG 4.08Å; T287-A307 HydrophobicContact CG2-CB 4.06Å; T287-M308 HydrophobicContact CG2-CG 4.06Å; T287-M308 VanDerWaalsContact O-CG 3.23Å; T287-M308 WeakPolarHBondContact O-CG 3.39Å; T287-L311 HydrophobicContact CG2-CD1 3.63Å
288V96.1Very high93.1Very high47 Ų4745.3 Ų45.329%0.28526%0.264SS..Hα-helixtrans-67.7-30-177.576.70000112M284 L285 R312M284-V288 WeakPolarHBondContact O-CG1 3.09Å; M284-V288 PolarHBondContact O-N 3.33Å; L285-V288 PolarHBondContact O-N 3.17Å; V288-R312 HydrophobicContact CG2-CB 4.04Å
289C95.9Very high92.8Very high29 Ų2953.1 Ų53.120%0.19629%0.293CS..THydrogen-bonded Turntrans-91.10.6179.1-62.50000113.3Q187 R204 L285 T287 G291Q187-C289 HydrophobicContact CB-CB 4.45Å; Q187-C289 PolarHBondContact O-SG 3.28Å; R204-C289 VanDerWaalsContact CZ-O 3.22Å; R204-C289 PolarHBondContact NH1-O 3.02Å; R204-C289 PolarHBondContact NH2-O 3.28Å; L285-C289 WeakPolarHBondContact O-CB 3.19Å; L285-C289 PolarHBondContact O-N 3.36Å; L285-C289 PolarHBondContact O-SG 3.35Å; L285-C289 VanDerWaalsContact O-SG 3.32Å; T287-C289 VanDerWaalsContact C-N 3.25Å; T287-C289 PolarHBondContact O-N 2.9Å; C289-G291 VanDerWaalsContact C-N 3.3Å; C289-G291 PolarHBondContact O-N 3.34Å
290A94Very high92.7Very high4 Ų451.3 Ų51.33%0.03327%0.27CS..  trans-55.6-43-174.300000112.4R204 S286 T287 M292 S293 Q304R204-A290 PolarHBondContact NH2-O 2.89Å; S286-A290 WeakPolarHBondContact O-CA 3.34Å; S286-A290 WeakPolarHBondContact O-CB 3.49Å; S286-A290 PolarHBondContact O-N 3.27Å; T287-A290 WeakPolarHBondContact O-CB 3.36Å; T287-A290 PolarHBondContact O-N 3.27Å; A290-M292 PolarHBondContact O-N 2.99Å; A290-M292 VanDerWaalsContact O-N 3.13Å; A290-S293 WeakPolarHBondContact O-CB 3.43Å; A290-S293 PolarHBondContact O-N 3.36Å; A290-S293 PolarHBondContact O-OG 2.8Å; A290-Q304 HydrophobicContact CB-CG 4.34Å
291G90.7Very high92.5Very high52 Ų5247.7 Ų47.754%0.53625%0.253SS..THydrogen-bonded Turntrans49.7-119.1175.800000112.5C289C289-G291 VanDerWaalsContact C-N 3.3Å; C289-G291 PolarHBondContact O-N 3.34Å
292M91.1Very high92.4Very high185 Ų18548.5 Ų48.591%0.91126%0.258SS*.THydrogen-bonded Turntrans-1029.3176.4-61-64.6156.100113.3A290A290-M292 PolarHBondContact O-N 2.99Å; A290-M292 VanDerWaalsContact O-N 3.13Å
293S93.6Very high92.2Very high22 Ų2251.3 Ų51.315%0.15428%0.275CS..SBendtrans-65150.2178.975.20000111.1E208 A290 A295E208-S293 WeakPolarHBondContact OE1-CB 3.36Å; A290-S293 WeakPolarHBondContact O-CB 3.43Å; A290-S293 PolarHBondContact O-N 3.36Å; A290-S293 PolarHBondContact O-OG 2.8Å; S293-A295 PolarHBondContact O-N 3.47Å
294P91.8Very high92.1Very high42 Ų4248.7 Ų48.727%0.27327%0.266SS..PPolyproline II helixtrans-57.7128.4174.2-23.131.6000112.2Q211 F274Q211-P294 HydrophobicContact CB-CG 4.45Å; Q211-P294 HydrophobicContact CG-CG 3.97Å; F274-P294 HydrophobicContact CB-CB 3.93Å; F274-P294 HydrophobicContact CD1-CB 4.07Å; F274-P294 HydrophobicContact CD1-CG 4.12Å; F274-P294 WeakPolarHBondContact CD1-O 3.3Å; F274-P294 HydrophobicContact CD2-CB 4.19Å; F274-P294 HydrophobicContact CD2-CG 3.95Å; F274-P294 HydrophobicContact CE1-CG 4.35Å; F274-P294 HydrophobicContact CE2-CG 4.16Å; F274-P294 HydrophobicContact CG-CB 3.77Å; F274-P294 HydrophobicContact CG-CG 3.94Å; F274-P294 HydrophobicContact CZ-CG 4.36Å
295A90.9Very high91.9Very high26 Ų2650.7 Ų50.722%0.21529%0.288CS..PPolyproline II helixtrans-77148.417300000111.4S293 S297 T301S293-A295 PolarHBondContact O-N 3.47Å; A295-S297 VanDerWaalsContact C-N 3.32Å; A295-S297 PolarHBondContact O-N 3.19Å; A295-T301 VanDerWaalsContact CB-OG1 3.24Å; A295-T301 WeakPolarHBondContact CB-OG1 3.21Å
296N92.3Very high91.8Very high36 Ų3655.4 Ų55.419%0.19331%0.313CS..SBendtrans-70.2-32.3179.1-72.8-12.4000112.4E273 F274 S275 D300E273-N296 HydrophobicContact CB-CB 4.32Å; E273-N296 HydrophobicContact CG-CB 4.03Å; F274-N296 PolarHBondContact N-OD1 3.03Å; S275-N296 PolarHBondContact N-OD1 3.31Å; S275-N296 PolarHBondContact O-ND2 3.44Å; N296-D300 HydrophobicContact CB-CB 4.36Å; N296-D300 PolarHBondContact N-OD2 3.01Å
297S89.3Confident91.7Very high37 Ų3756 Ų5626%0.25932%0.319SS..SBendtrans-160.6165.7-179.872.80000111.1A295 R299 D300 T301A295-S297 VanDerWaalsContact C-N 3.32Å; A295-S297 PolarHBondContact O-N 3.19Å; S297-R299 PolarHBondContact O-N 3.17Å; S297-R299 PolarHBondContact OG-N 2.85Å; S297-D300 WeakPolarHBondContact O-CB 3.13Å; S297-D300 PolarHBondContact O-N 3.42Å; S297-D300 VanDerWaalsContact O-N 3.1Å; S297-D300 PolarHBondContact OG-N 3.1Å; S297-D300 VanDerWaalsContact OG-N 3.16Å; S297-T301 PolarHBondContact O-N 3.09Å; S297-T301 PolarHBondContact O-OG1 3.4Å; S297-T301 VanDerWaalsContact O-OG1 3.08Å
298W84.7Confident91.7Very high94 Ų9459.1 Ų59.136%0.35633%0.334SS..Hα-helixtrans-60.4-29.4173.768.9-102.3000113.1I23 R29 T301 I302I23-W298 HydrophobicContact CD1-CB 4.15Å; I23-W298 HydrophobicContact CD1-CD2 4.44Å; I23-W298 HydrophobicContact CD1-CE3 4.49Å; I23-W298 HydrophobicContact CD1-CG 4.32Å; I23-W298 HydrophobicContact CG1-CB 3.82Å; I23-W298 HydrophobicContact CG1-CG 4.33Å; R29-W298 VanDerWaalsContact NH2-CD1 3.3Å; W298-T301 WeakPolarHBondContact O-CB 3.46Å; W298-T301 PolarHBondContact O-N 3.11Å; W298-I302 HydrophobicContact CE3-CD1 3.58Å; W298-I302 HydrophobicContact CZ3-CD1 3.65Å; W298-I302 WeakPolarHBondContact O-CG1 3.29Å; W298-I302 PolarHBondContact O-N 3.47Å; W298-I302 VanDerWaalsContact O-N 3.09Å
299R87.1Confident91.6Very high168 Ų16859 Ų5963%0.63434%0.342SS*.Hα-helixtrans-68.5-43.7175.7-64.9-179-177.8173.1-0.5110.3S297 T301 I302 T303S297-R299 PolarHBondContact O-N 3.17Å; S297-R299 PolarHBondContact OG-N 2.85Å; R299-T301 VanDerWaalsContact C-N 3.32Å; R299-I302 PolarHBondContact O-N 3.12Å; R299-T303 WeakPolarHBondContact O-CB 3.47Å; R299-T303 PolarHBondContact O-N 3.41Å; R299-T303 PolarHBondContact O-OG1 2.84Å
300D90.6Very high91.7Very high19 Ų1961.5 Ų61.510%0.10236%0.358CS..Hα-helixtrans-60.3-43.1174.8-173.442.9000110.5N296 S297 I302 T303 Q304N296-D300 HydrophobicContact CB-CB 4.36Å; N296-D300 PolarHBondContact N-OD2 3.01Å; S297-D300 WeakPolarHBondContact O-CB 3.13Å; S297-D300 PolarHBondContact O-N 3.42Å; S297-D300 VanDerWaalsContact O-N 3.1Å; S297-D300 PolarHBondContact OG-N 3.1Å; S297-D300 VanDerWaalsContact OG-N 3.16Å; D300-I302 PolarHBondContact O-N 3.4Å; D300-T303 PolarHBondContact O-N 3.41Å; D300-Q304 WeakPolarHBondContact O-CB 3.27Å; D300-Q304 WeakPolarHBondContact O-CG 3.43Å; D300-Q304 PolarHBondContact O-N 3.17Å; D300-Q304 PolarHBondContact OD1-NE2 3.31Å; D300-Q304 PolarHBondContact OD2-NE2 2.95Å
301T89.2Confident91.9Very high44 Ų4462.4 Ų62.427%0.2736%0.362SS..Hα-helixtrans-56.5-47173.1-49.60000112.9A295 S297 W298 R299 Q304 A305A295-T301 VanDerWaalsContact CB-OG1 3.24Å; A295-T301 WeakPolarHBondContact CB-OG1 3.21Å; S297-T301 PolarHBondContact O-N 3.09Å; S297-T301 PolarHBondContact O-OG1 3.4Å; S297-T301 VanDerWaalsContact O-OG1 3.08Å; W298-T301 WeakPolarHBondContact O-CB 3.46Å; W298-T301 PolarHBondContact O-N 3.11Å; R299-T301 VanDerWaalsContact C-N 3.32Å; T301-Q304 PolarHBondContact O-N 2.81Å; T301-A305 WeakPolarHBondContact O-CB 3.43Å; T301-A305 PolarHBondContact O-N 3.24Å
302I89.1Confident92.1Very high63 Ų6365.5 Ų65.532%0.32336%0.358SS..Hα-helixtrans-65.7-46.9179-67.9172.9000110.6W298 R299 D300 Q304 A305 L306W298-I302 HydrophobicContact CE3-CD1 3.58Å; W298-I302 HydrophobicContact CZ3-CD1 3.65Å; W298-I302 WeakPolarHBondContact O-CG1 3.29Å; W298-I302 PolarHBondContact O-N 3.47Å; W298-I302 VanDerWaalsContact O-N 3.09Å; R299-I302 PolarHBondContact O-N 3.12Å; D300-I302 PolarHBondContact O-N 3.4Å; I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 3.36Å; I302-A305 PolarHBondContact O-N 2.83Å; I302-L306 HydrophobicContact CG2-CD1 3.94Å; I302-L306 WeakPolarHBondContact O-CG 3.24Å; I302-L306 PolarHBondContact O-N 2.84Å; I302-L306 VanDerWaalsContact O-N 3.09Å
303T91.7Very high92.4Very high59 Ų5961.8 Ų61.836%0.36234%0.341SS..Hα-helixtrans-58.1-45.7178-61.90000110.8W283 R299 D300 L306 A307W283-T303 HydrophobicContact CZ2-CG2 3.81Å; R299-T303 WeakPolarHBondContact O-CB 3.47Å; R299-T303 PolarHBondContact O-N 3.41Å; R299-T303 PolarHBondContact O-OG1 2.84Å; D300-T303 PolarHBondContact O-N 3.41Å; T303-L306 PolarHBondContact O-N 3.13Å; T303-A307 WeakPolarHBondContact O-CB 3.29Å; T303-A307 PolarHBondContact O-N 3.5Å
304Q93.5Very high92.5Very high20 Ų2063.7 Ų63.79%0.09335%0.351CS..Hα-helixtrans-61.6-49.9178-71.5167.54.400111.3T287 A290 D300 T301 I302 L306 A307 M308T287-Q304 HydrophobicContact CG2-CB 4.32Å; T287-Q304 HydrophobicContact CG2-CG 4.08Å; A290-Q304 HydrophobicContact CB-CG 4.34Å; D300-Q304 WeakPolarHBondContact O-CB 3.27Å; D300-Q304 WeakPolarHBondContact O-CG 3.43Å; D300-Q304 PolarHBondContact O-N 3.17Å; D300-Q304 PolarHBondContact OD1-NE2 3.31Å; D300-Q304 PolarHBondContact OD2-NE2 2.95Å; T301-Q304 PolarHBondContact O-N 2.81Å; I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 3.36Å; Q304-L306 PolarHBondContact O-N 3.23Å; Q304-L306 VanDerWaalsContact O-N 3.17Å; Q304-A307 PolarHBondContact O-N 3.13Å; Q304-M308 VanDerWaalsContact O-CB 3.28Å; Q304-M308 WeakPolarHBondContact O-CB 3.29Å; Q304-M308 WeakPolarHBondContact O-CG 3.48Å; Q304-M308 PolarHBondContact O-N 3.47Å
305A89.9Confident92.6Very high77 Ų7762.8 Ų62.864%0.63635%0.349SS*.Hα-helixtrans-56.3-36.3179.700000113.1T301 I302T301-A305 WeakPolarHBondContact O-CB 3.43Å; T301-A305 PolarHBondContact O-N 3.24Å; I302-A305 PolarHBondContact O-N 2.83Å
306L93.1Very high92.8Very high132 Ų13265 Ų6569%0.69136%0.357SS*.Hα-helixtrans-84.6-38.1179.9-64.6175.5000113.2I302 T303 Q304 P310I302-L306 HydrophobicContact CG2-CD1 3.94Å; I302-L306 WeakPolarHBondContact O-CG 3.24Å; I302-L306 PolarHBondContact O-N 2.84Å; I302-L306 VanDerWaalsContact O-N 3.09Å; T303-L306 PolarHBondContact O-N 3.13Å; Q304-L306 PolarHBondContact O-N 3.23Å; Q304-L306 VanDerWaalsContact O-N 3.17Å; L306-P310 WeakPolarHBondContact O-CD 3.47Å
307A95.5Very high92.9Very high20 Ų2070.4 Ų70.417%0.16538%0.379CS..Hα-helixtrans-88.4-22.6-17200000113.7W283 T287 T303 Q304 G309 P310 L311W283-A307 HydrophobicContact CH2-CB 4.39Å; W283-A307 HydrophobicContact CZ2-CB 4.48Å; T287-A307 HydrophobicContact CG2-CB 4.06Å; T303-A307 WeakPolarHBondContact O-CB 3.29Å; T303-A307 PolarHBondContact O-N 3.5Å; Q304-A307 PolarHBondContact O-N 3.13Å; A307-G309 VanDerWaalsContact C-N 3.34Å; A307-G309 PolarHBondContact O-N 3.21Å; A307-P310 WeakPolarHBondContact O-CD 3.29Å; A307-L311 HydrophobicContact CB-CD1 3.94Å; A307-L311 HydrophobicContact CB-CG 4.37Å; A307-L311 VanDerWaalsContact O-CB 3.26Å; A307-L311 WeakPolarHBondContact O-CB 3.37Å; A307-L311 VanDerWaalsContact O-CG 3.23Å; A307-L311 WeakPolarHBondContact O-CG 3.46Å; A307-L311 PolarHBondContact O-N 2.96Å
308M95.2Very high93.1Very high65 Ų6572.7 Ų72.732%0.3238%0.383SS..Hα-helixtrans-54.5-45.2-176.8-85.517478.300113.4T287 Q304 R312T287-M308 HydrophobicContact CG2-CG 4.06Å; T287-M308 VanDerWaalsContact O-CG 3.23Å; T287-M308 WeakPolarHBondContact O-CG 3.39Å; Q304-M308 VanDerWaalsContact O-CB 3.28Å; Q304-M308 WeakPolarHBondContact O-CB 3.29Å; Q304-M308 WeakPolarHBondContact O-CG 3.48Å; Q304-M308 PolarHBondContact O-N 3.47Å; M308-R312 VanDerWaalsContact O-CB 3.27Å; M308-R312 WeakPolarHBondContact O-CB 3.49Å; M308-R312 PolarHBondContact O-N 3.43Å
309G95.4Very high93.5Very high44 Ų4471.3 Ų71.345%0.45438%0.382SS..Hα-helixtrans-62.3-59.2179.900000112.7A307 L311 R312 L313A307-G309 VanDerWaalsContact C-N 3.34Å; A307-G309 PolarHBondContact O-N 3.21Å; G309-L311 VanDerWaalsContact C-N 3.35Å; G309-L311 PolarHBondContact O-N 3.45Å; G309-R312 WeakPolarHBondContact O-CB 3.27Å; G309-R312 PolarHBondContact O-N 2.96Å; G309-L313 PolarHBondContact O-N 2.89Å
310P97Very high93.9Very high82 Ų8268.7 Ų68.753%0.53238%0.38SS..Hα-helixtrans-56-43.7175.7-28.135.7000113.7L306 A307 R312 L313 V314L306-P310 WeakPolarHBondContact O-CD 3.47Å; A307-P310 WeakPolarHBondContact O-CD 3.29Å; P310-R312 VanDerWaalsContact C-N 3.3Å; P310-R312 PolarHBondContact O-N 3.49Å; P310-L313 WeakPolarHBondContact O-CB 3.43Å; P310-L313 PolarHBondContact O-N 2.89Å; P310-L313 VanDerWaalsContact O-N 3.13Å; P310-V314 PolarHBondContact O-N 3.23Å; P310-V314 VanDerWaalsContact O-N 3.16Å
311L97.3Very high94Very high24 Ų2472.8 Ų72.813%0.12640%0.397CS..Hα-helixtrans-66.5-32.3178.8-70.2177.5000112.5W283 M284 T287 A307 G309 L313 V314 G315W283-L311 HydrophobicContact CH2-CD1 4.03Å; W283-L311 HydrophobicContact CZ3-CD1 4.02Å; W283-L311 HydrophobicContact CZ3-CD2 4.3Å; M284-L311 HydrophobicContact CB-CD1 4.43Å; M284-L311 HydrophobicContact CB-CD2 4.27Å; M284-L311 HydrophobicContact CG-CD1 4.33Å; M284-L311 HydrophobicContact CG-CD2 3.63Å; M284-L311 HydrophobicContact SD-CD2 3.74Å; T287-L311 HydrophobicContact CG2-CD1 3.63Å; A307-L311 HydrophobicContact CB-CD1 3.94Å; A307-L311 HydrophobicContact CB-CG 4.37Å; A307-L311 VanDerWaalsContact O-CB 3.26Å; A307-L311 WeakPolarHBondContact O-CB 3.37Å; A307-L311 VanDerWaalsContact O-CG 3.23Å; A307-L311 WeakPolarHBondContact O-CG 3.46Å; A307-L311 PolarHBondContact O-N 2.96Å; G309-L311 VanDerWaalsContact C-N 3.35Å; G309-L311 PolarHBondContact O-N 3.45Å; L311-L313 VanDerWaalsContact C-N 3.28Å; L311-L313 PolarHBondContact O-N 3.38Å; L311-V314 PolarHBondContact O-N 2.73Å; L311-G315 PolarHBondContact O-N 2.75Å
312R96.4Very high94.3Very high117 Ų11772.3 Ų72.344%0.44239%0.391SS..Hα-helixtrans-61-39.4172.6177.960.9-174.4123.8-6.5111.6V288 M308 G309 P310 G315 L316V288-R312 HydrophobicContact CG2-CB 4.04Å; M308-R312 VanDerWaalsContact O-CB 3.27Å; M308-R312 WeakPolarHBondContact O-CB 3.49Å; M308-R312 PolarHBondContact O-N 3.43Å; G309-R312 WeakPolarHBondContact O-CB 3.27Å; G309-R312 PolarHBondContact O-N 2.96Å; P310-R312 VanDerWaalsContact C-N 3.3Å; P310-R312 PolarHBondContact O-N 3.49Å; R312-G315 PolarHBondContact O-N 3.31Å; R312-L316 PolarHBondContact O-N 2.97Å; R312-L316 VanDerWaalsContact O-N 3.16Å
313L97Very high94.6Very high107 Ų10774.4 Ų74.456%0.5640%0.403SS*.Hα-helixtrans-65.1-43176-60.8177.7000111.4G309 P310 L311 G315 L316 F317G309-L313 PolarHBondContact O-N 2.89Å; P310-L313 WeakPolarHBondContact O-CB 3.43Å; P310-L313 PolarHBondContact O-N 2.89Å; P310-L313 VanDerWaalsContact O-N 3.13Å; L311-L313 VanDerWaalsContact C-N 3.28Å; L311-L313 PolarHBondContact O-N 3.38Å; L313-G315 VanDerWaalsContact C-N 3.3Å; L313-G315 PolarHBondContact O-N 3.22Å; L313-L316 HydrophobicContact CD2-CD1 4.19Å; L313-L316 WeakPolarHBondContact O-CB 3.46Å; L313-L316 PolarHBondContact O-N 2.93Å; L313-L316 VanDerWaalsContact O-N 3.12Å; L313-F317 VanDerWaalsContact O-CD2 3.28Å; L313-F317 WeakPolarHBondContact O-CD2 3.29Å
314V94.8Very high94.8Very high61 Ų6177.5 Ų77.537%0.3741%0.412SS..Hα-helixtrans-57.4-45.4172.4176.50000110.7P310 L311 L316 F317 Y318P310-V314 PolarHBondContact O-N 3.23Å; P310-V314 VanDerWaalsContact O-N 3.16Å; L311-V314 PolarHBondContact O-N 2.73Å; V314-L316 PolarHBondContact O-N 3.39Å; V314-F317 WeakPolarHBondContact O-CB 2.91Å; V314-F317 PolarHBondContact O-N 3.37Å; V314-Y318 HydrophobicContact CG1-CD2 4.22Å; V314-Y318 HydrophobicContact CG1-CE2 3.98Å; V314-Y318 PolarHBondContact O-N 3.09Å
315G94.4Very high94.8Very high23 Ų2377.8 Ų77.824%0.23742%0.415CS..Hα-helixtrans-59.5-28.717700000114.1L311 R312 L313 F317 Y318 L319L311-G315 PolarHBondContact O-N 2.75Å; R312-G315 PolarHBondContact O-N 3.31Å; L313-G315 VanDerWaalsContact C-N 3.3Å; L313-G315 PolarHBondContact O-N 3.22Å; G315-F317 VanDerWaalsContact C-N 3.33Å; G315-F317 PolarHBondContact O-N 3.41Å; G315-Y318 PolarHBondContact O-N 3.2Å; G315-L319 WeakPolarHBondContact O-CG 3.48Å; G315-L319 PolarHBondContact O-N 3.06Å
316L95.6Very high95Very high72 Ų7277 Ų7738%0.37740%0.402SS..Hα-helixtrans-65.2-36.1174.5-67172.8000111.9R312 L313 V314 L319 L320R312-L316 PolarHBondContact O-N 2.97Å; R312-L316 VanDerWaalsContact O-N 3.16Å; L313-L316 HydrophobicContact CD2-CD1 4.19Å; L313-L316 WeakPolarHBondContact O-CB 3.46Å; L313-L316 PolarHBondContact O-N 2.93Å; L313-L316 VanDerWaalsContact O-N 3.12Å; V314-L316 PolarHBondContact O-N 3.39Å; L316-L319 HydrophobicContact CD2-CD1 4.47Å; L316-L319 PolarHBondContact O-N 3.13Å; L316-L320 WeakPolarHBondContact O-CG 3.09Å; L316-L320 PolarHBondContact O-N 3.42Å
317F94.6Very high94.9Very high150 Ų15075 Ų7566%0.65840%0.399SS*.Hα-helixtrans-66-39.3175-69-82.8000112L313 V314 G315 L320 K321L313-F317 VanDerWaalsContact O-CD2 3.28Å; L313-F317 WeakPolarHBondContact O-CD2 3.29Å; V314-F317 WeakPolarHBondContact O-CB 2.91Å; V314-F317 PolarHBondContact O-N 3.37Å; G315-F317 VanDerWaalsContact C-N 3.33Å; G315-F317 PolarHBondContact O-N 3.41Å; F317-L320 PolarHBondContact O-N 3.17Å; F317-K321 WeakPolarHBondContact O-CB 3.35Å; F317-K321 PolarHBondContact O-N 3.19Å
318Y92.8Very high94.3Very high85 Ų8583.4 Ų83.433%0.33343%0.432SS..Hα-helixtrans-61.7-45.8172.8-81.6-84.8000111.7V314 G315 L320 K321 F322V314-Y318 HydrophobicContact CG1-CD2 4.22Å; V314-Y318 HydrophobicContact CG1-CE2 3.98Å; V314-Y318 PolarHBondContact O-N 3.09Å; G315-Y318 PolarHBondContact O-N 3.2Å; Y318-L320 VanDerWaalsContact C-N 3.34Å; Y318-L320 PolarHBondContact O-N 3.29Å; Y318-K321 WeakPolarHBondContact O-CB 3.2Å; Y318-K321 PolarHBondContact O-N 3.24Å; Y318-F322 HydrophobicContact CD1-CE1 4.27Å; Y318-F322 AromaticContact CD1-CZ 3.92Å; Y318-F322 HydrophobicContact CD1-CZ 3.92Å; Y318-F322 HydrophobicContact CG-CZ 4.49Å; Y318-F322 WeakPolarHBondContact O-CD1 3.28Å; Y318-F322 VanDerWaalsContact O-CD2 3.31Å; Y318-F322 WeakPolarHBondContact O-CD2 3.47Å; Y318-F322 WeakPolarHBondContact O-CG 2.93Å; Y318-F322 PolarHBondContact O-N 3.36Å
319L93.8Very high94.3Very high66 Ų6684.3 Ų84.335%0.34644%0.438SS..Hα-helixtrans-61.6-40.8177-67.9173.8000112.2G315 L316 F322 N323G315-L319 WeakPolarHBondContact O-CG 3.48Å; G315-L319 PolarHBondContact O-N 3.06Å; L316-L319 HydrophobicContact CD2-CD1 4.47Å; L316-L319 PolarHBondContact O-N 3.13Å; L319-F322 HydrophobicContact CD2-CD2 4.37Å; L319-F322 PolarHBondContact O-N 3.4Å; L319-N323 WeakPolarHBondContact O-CB 3.45Å; L319-N323 PolarHBondContact O-N 3.22Å; L319-N323 PolarHBondContact O-ND2 3.15Å
320L95.2Very high94.2Very high112 Ų11286.4 Ų86.459%0.58644%0.437SS*.Hα-helixtrans-62.3-44.1173.7-72.4172.6000111.6L316 F317 Y318 N323 F324L316-L320 WeakPolarHBondContact O-CG 3.09Å; L316-L320 PolarHBondContact O-N 3.42Å; F317-L320 PolarHBondContact O-N 3.17Å; Y318-L320 VanDerWaalsContact C-N 3.34Å; Y318-L320 PolarHBondContact O-N 3.29Å; L320-N323 PolarHBondContact O-N 2.61Å; L320-F324 WeakPolarHBondContact O-CB 2.86Å; L320-F324 PolarHBondContact O-N 3.06Å
321K93.7Very high94Very high105 Ų10586.7 Ų86.746%0.45743%0.431SS..Hα-helixtrans-58.9-47174.7-178.6-177.8176.6-176.10110.8F317 Y318 F324 T325F317-K321 WeakPolarHBondContact O-CB 3.35Å; F317-K321 PolarHBondContact O-N 3.19Å; Y318-K321 WeakPolarHBondContact O-CB 3.2Å; Y318-K321 PolarHBondContact O-N 3.24Å; K321-F324 PolarHBondContact O-N 3.29Å; K321-T325 WeakPolarHBondContact O-CB 3.38Å; K321-T325 PolarHBondContact O-N 3.23Å; K321-T325 PolarHBondContact O-OG1 3.43Å
322F94.8Very high93.9Very high34 Ų3490.4 Ų90.415%0.14945%0.449CS..Hα-helixtrans-62.7-47.9179.2-59-26.3000111.9I188 L190 I248 Y318 L319 F324 T325 V326I188-F322 HydrophobicContact CD1-CE2 4.27Å; L190-F322 HydrophobicContact CD2-CD2 4.4Å; L190-F322 HydrophobicContact CD2-CE2 3.94Å; L190-F322 HydrophobicContact CD2-CZ 4.33Å; I248-F322 HydrophobicContact CB-CD1 4.5Å; I248-F322 HydrophobicContact CG1-CD1 4.46Å; I248-F322 HydrophobicContact CG2-CD1 3.83Å; I248-F322 HydrophobicContact CG2-CE1 4.05Å; I248-F322 HydrophobicContact CG2-CG 4.17Å; Y318-F322 HydrophobicContact CD1-CE1 4.27Å; Y318-F322 AromaticContact CD1-CZ 3.92Å; Y318-F322 HydrophobicContact CD1-CZ 3.92Å; Y318-F322 HydrophobicContact CG-CZ 4.49Å; Y318-F322 WeakPolarHBondContact O-CD1 3.28Å; Y318-F322 VanDerWaalsContact O-CD2 3.31Å; Y318-F322 WeakPolarHBondContact O-CD2 3.47Å; Y318-F322 WeakPolarHBondContact O-CG 2.93Å; Y318-F322 PolarHBondContact O-N 3.36Å; L319-F322 HydrophobicContact CD2-CD2 4.37Å; L319-F322 PolarHBondContact O-N 3.4Å; F322-F324 VanDerWaalsContact C-N 3.3Å; F322-F324 PolarHBondContact O-N 2.79Å; F322-T325 PolarHBondContact O-N 2.98Å; F322-T325 VanDerWaalsContact O-N 3.15Å; F322-V326 WeakPolarHBondContact O-CG2 3.25Å; F322-V326 PolarHBondContact O-N 3.22Å
323N94.9Very high93.7Very high107 Ų10788.7 Ų88.757%0.57245%0.45SS*.Hα-helixtrans-58.8-43.3177.2-71.2-14000111.6L319 L320 V326 S327L319-N323 WeakPolarHBondContact O-CB 3.45Å; L319-N323 PolarHBondContact O-N 3.22Å; L319-N323 PolarHBondContact O-ND2 3.15Å; L320-N323 PolarHBondContact O-N 2.61Å; N323-V326 PolarHBondContact O-N 3.04Å; N323-S327 WeakPolarHBondContact O-CB 3.41Å; N323-S327 PolarHBondContact O-N 3.23Å; N323-S327 PolarHBondContact O-OG 3.03Å
324F95.1Very high93.5Very high125 Ų12587.5 Ų87.555%0.54844%0.443SS..Hα-helixtrans-62.9-42.6176.1-179.1-107.6000112L320 K321 F322 S327L320-F324 WeakPolarHBondContact O-CB 2.86Å; L320-F324 PolarHBondContact O-N 3.06Å; K321-F324 PolarHBondContact O-N 3.29Å; F322-F324 VanDerWaalsContact C-N 3.3Å; F322-F324 PolarHBondContact O-N 2.79Å; F324-S327 WeakPolarHBondContact CA-OG 3.25Å; F324-S327 PolarHBondContact O-N 2.9Å; F324-S327 PolarHBondContact O-OG 2.65Å
325T94.2Very high93.4Very high25 Ų2589.4 Ų89.415%0.15345%0.448CS..Hα-helixtrans-62.6-41.9177.6-60.90000112.1L244 A247 I248 K321 F322 S327L244-T325 HydrophobicContact CD1-CG2 3.68Å; L244-T325 WeakPolarHBondContact CD1-O 3.23Å; A247-T325 HydrophobicContact CB-CG2 3.93Å; I248-T325 HydrophobicContact CD1-CG2 4.37Å; I248-T325 HydrophobicContact CG1-CG2 3.88Å; K321-T325 WeakPolarHBondContact O-CB 3.38Å; K321-T325 PolarHBondContact O-N 3.23Å; K321-T325 PolarHBondContact O-OG1 3.43Å; F322-T325 PolarHBondContact O-N 2.98Å; F322-T325 VanDerWaalsContact O-N 3.15Å; T325-S327 VanDerWaalsContact C-N 3.32Å; T325-S327 PolarHBondContact O-N 2.89Å
326V93.7Very high93.3Very high61 Ų6194.5 Ų94.537%0.3746%0.464SS..Hα-helixtrans-70-27.2177.3177.70000112.6Y191 I248 F322 N323 K328Y191-V326 HydrophobicContact CD2-CG1 4.13Å; Y191-V326 HydrophobicContact CD2-CG2 3.85Å; Y191-V326 HydrophobicContact CE2-CG1 4.16Å; Y191-V326 HydrophobicContact CG-CG2 4.15Å; I248-V326 HydrophobicContact CD1-CG2 3.48Å; I248-V326 VanDerWaalsContact CD1-CG2 3.48Å; F322-V326 WeakPolarHBondContact O-CG2 3.25Å; F322-V326 PolarHBondContact O-N 3.22Å; N323-V326 PolarHBondContact O-N 3.04Å; V326-K328 VanDerWaalsContact C-N 3.3Å; V326-K328 PolarHBondContact O-N 2.7Å
327S92.1Very high93.1Very high90 Ų9096.3 Ų96.363%0.62947%0.471SS*.THydrogen-bonded Turntrans-79.9-3.8-178.5680000115.6N323 F324 T325N323-S327 WeakPolarHBondContact O-CB 3.41Å; N323-S327 PolarHBondContact O-N 3.23Å; N323-S327 PolarHBondContact O-OG 3.03Å; F324-S327 WeakPolarHBondContact CA-OG 3.25Å; F324-S327 PolarHBondContact O-N 2.9Å; F324-S327 PolarHBondContact O-OG 2.65Å; T325-S327 VanDerWaalsContact C-N 3.32Å; T325-S327 PolarHBondContact O-N 2.89Å
328K82.4Confident93Very high196 Ų19691.5 Ų91.585%0.85245%0.454SS*.  trans-87.50177.8-72.2-177.9178.2-1790111.3V326V326-K328 VanDerWaalsContact C-N 3.3Å; V326-K328 PolarHBondContact O-N 2.7Å

Retrieved 328 of 328 residues in 160.2 ms (Link to these results)

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