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Guanylyl cyclase-activating protein 2

Stimulates two retinal guanylyl cyclases (GCs) GUCY2D and GUCY2F when free calcium ions concentration is low, and inhibits GUCY2D and GUCY2F when free calcium ions concentration is elevated (By similarity). This Ca(2+)-sensitive regulation of GCs is a key event in recovery of the dark state of rod photoreceptors following light exposure (By similarity). May be involved in cone photoreceptor response and recovery of response in bright light (By similarity).

AlphaFold DB , UniProt , Accession Q9UMX6, Species HUMAN (Homo sapiens, Human), Gene GUCA1B, Length 200 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
1M34.1Very low38.1Very low244 Ų244142.3 Ų142.3100%1.20272%0.716SS**  0104.80-68.8-180-172.600106.3Q3M1-Q3 PolarHBondContact O-N 3.25Å
2G36.6Very low38.4Very low78 Ų78137.8 Ų137.880%0.80472%0.717SS**  trans-76.8119.1-178.800000109.1E4G2-E4 PolarHBondContact O-N 2.92Å; G2-E4 VanDerWaalsContact O-N 3.08Å
3Q35.9Very low39Very low184 Ų184130.8 Ų130.886%0.8669%0.692SS**  trans-69100.9166.1-90.2174-34.500107.3M1 F5M1-Q3 PolarHBondContact O-N 3.25Å; Q3-F5 PolarHBondContact O-N 2.74Å; Q3-F5 VanDerWaalsContact O-N 3.13Å
4E38.7Very low39.9Very low191 Ų191125 Ų12589%0.89368%0.679SS**  trans-61.6105.9154.7-72.7-176.287.200106.3G2 S6G2-E4 PolarHBondContact O-N 2.92Å; G2-E4 VanDerWaalsContact O-N 3.08Å; E4-S6 PolarHBondContact O-N 3.1Å
5F38.5Very low41Very low145 Ų145129.5 Ų129.564%0.63669%0.694SS**  trans-69.9100.1178.7-146.1-98000107Q3 W7Q3-F5 PolarHBondContact O-N 2.74Å; Q3-F5 VanDerWaalsContact O-N 3.13Å; F5-W7 PolarHBondContact O-N 3.38Å
6S38Very low42.4Very low50 Ų50123.9 Ų123.935%0.3566%0.663SS.*  trans-67.8128.3175.6-177.50000108.8E4 E8 E9E4-S6 PolarHBondContact O-N 3.1Å; S6-E8 PolarHBondContact O-N 2.94Å; S6-E8 PolarHBondContact OG-OE2 2.75Å; S6-E9 PolarHBondContact O-N 2.99Å
7W39Very low44Very low165 Ų165122.8 Ų122.863%0.62566%0.657SS**G310 helixtrans-64.1-10.1-179.4-57.796.8000113.5F5 E9 A10F5-W7 PolarHBondContact O-N 3.38Å; W7-E9 VanDerWaalsContact C-N 3.26Å; W7-E9 PolarHBondContact O-N 2.78Å; W7-A10 PolarHBondContact O-N 2.86Å
8E36Very low45.5Very low159 Ų159121.3 Ų121.374%0.74365%0.653SS**G310 helixtrans-65.8-25.2173.5-70173.4101.600112.9S6 A10S6-E8 PolarHBondContact O-N 2.94Å; S6-E8 PolarHBondContact OG-OE2 2.75Å; E8-A10 VanDerWaalsContact C-N 3.32Å; E8-A10 PolarHBondContact O-N 3Å
9E40.1Very low47.1Very low136 Ų136118.1 Ų118.164%0.63665%0.645SS**G310 helixtrans-78.3-15.9177.6-65.8-172112.500113.1S6 W7S6-E9 PolarHBondContact O-N 2.99Å; W7-E9 VanDerWaalsContact C-N 3.26Å; W7-E9 PolarHBondContact O-N 2.78Å
10A42Very low48.4Very low37 Ų37115.5 Ų115.531%0.30663%0.628SS.*G310 helixtrans-79.2-22.9-178.300000113.4W7 E8 A12W7-A10 PolarHBondContact O-N 2.86Å; E8-A10 VanDerWaalsContact C-N 3.32Å; E8-A10 PolarHBondContact O-N 3Å; A10-A12 PolarHBondContact O-N 2.87Å
11E40.1Very low49.6Very low176 Ų176113 Ų11382%0.82261%0.614SS**G310 helixtrans-74.2-12.3178.6-68.7-165.8121.100113.4
12A41.4Very low51.6Low88 Ų88106.8 Ų106.873%0.72758%0.582SS**G310 helixtrans-93.10.2179.700000114.4A10 G14A10-A12 PolarHBondContact O-N 2.87Å; A12-G14 PolarHBondContact O-N 2.9Å
13A46.3Very low53.5Low47 Ų47107 Ų10739%0.38856%0.562SS.*  trans-78.494.2-177.600000110.7R87A13-R87 HydrophobicContact CB-CB 4.19Å; A13-R87 HydrophobicContact CB-CG 3.71Å
14G51.8Low55.4Low50 Ų5099.7 Ų99.752%0.51553%0.526SS..  trans-55.1176.5178.400000114.7A12 R87A12-G14 PolarHBondContact O-N 2.9Å; G14-R87 PolarHBondContact O-NH1 3.46Å
15E57.2Low57.2Low193 Ų19396.5 Ų96.590%0.90251%0.507SS*.SBendtrans-49145.7177.9-71.4172.487.800111.9D17 R87E15-D17 PolarHBondContact O-N 2.9Å; E15-R87 PolarHBondContact O-NH1 2.82Å
16I63.2Low59.1Low39 Ų3995.3 Ų95.320%0.250%0.502CS..PPolyproline II helixtrans-60.8116175.4-65164.9000107.6E20 L21 W24 V79 N83I16-E20 HydrophobicContact CG2-CB 4.27Å; I16-L21 HydrophobicContact CG2-CB 4.21Å; I16-L21 HydrophobicContact CG2-CD1 4.22Å; I16-W24 HydrophobicContact CD1-CH2 4.01Å; I16-W24 HydrophobicContact CD1-CZ3 3.66Å; I16-W24 HydrophobicContact CG1-CH2 4.28Å; I16-W24 HydrophobicContact CG1-CZ3 4.3Å; I16-W24 HydrophobicContact CG2-CH2 4.49Å; I16-W24 HydrophobicContact CG2-CZ3 4.23Å; I16-V79 HydrophobicContact CD1-CG1 4.11Å; I16-N83 HydrophobicContact CD1-CB 3.56Å; I16-N83 WeakPolarHBondContact CD1-OD1 3.33Å
17D68.5Low60.8Low105 Ų10595.8 Ų95.856%0.56150%0.498SS*.PPolyproline II helixtrans-66.9143.6176-171.39.2000109.5E15 A19 E20 L21E15-D17 PolarHBondContact O-N 2.9Å; D17-A19 PolarHBondContact O-N 2.6Å; D17-A19 VanDerWaalsContact O-N 3.11Å; D17-E20 WeakPolarHBondContact O-CB 3.33Å; D17-E20 PolarHBondContact O-N 2.89Å; D17-L21 PolarHBondContact O-N 3.33Å; D17-L21 VanDerWaalsContact O-N 3.09Å
18V71.2Confident62.6Low97 Ų9788.3 Ų88.359%0.58847%0.469SS*.Hα-helixtrans-55.6-33.2-179.2179.20000110.8L21 Q22V18-L21 PolarHBondContact O-N 3.35Å; V18-Q22 WeakPolarHBondContact O-CG 3.17Å; V18-Q22 PolarHBondContact O-N 2.86Å
19A76.1Confident64.6Low59 Ų5983.2 Ų83.249%0.48845%0.449SS..Hα-helixtrans-63.7-40.117600000112.8D17 Q22 E23D17-A19 PolarHBondContact O-N 2.6Å; D17-A19 VanDerWaalsContact O-N 3.11Å; A19-Q22 PolarHBondContact O-N 3.42Å; A19-E23 PolarHBondContact O-N 2.73Å; A19-E23 VanDerWaalsContact O-N 3.13Å
20E73.2Confident66.3Low66 Ų6683.5 Ų83.531%0.30845%0.452SS..Hα-helixtrans-70.7-39177.6-169.7174.2166.800110.9I16 D17 Q22 E23 W24 R87I16-E20 HydrophobicContact CG2-CB 4.27Å; D17-E20 WeakPolarHBondContact O-CB 3.33Å; D17-E20 PolarHBondContact O-N 2.89Å; E20-Q22 PolarHBondContact O-N 3.44Å; E20-E23 PolarHBondContact O-N 2.86Å; E20-W24 HydrophobicContact CG-CZ2 3.89Å; E20-W24 PolarHBondContact O-N 3.42Å; E20-W24 WeakPolarHBondContact OE1-CZ2 3.24Å; E20-R87 IonicContact OE1-CZ 2.72Å; E20-R87 IonicContact OE1-NH2 2.71Å; E20-R87 PolarHBondContact OE1-NH2 3.31Å; E20-R87 IonicContact OE2-CZ 3.69Å; E20-R87 IonicContact OE2-NH2 3.01Å; E20-R87 PolarHBondContact OE2-NH2 2.97Å
21L74.1Confident67.7Low63 Ų6386.7 Ų86.733%0.3346%0.461SS..Hα-helixtrans-61.8-42.6173.8-162.4106.1000111.9I16 D17 V18 E23 W24 Y25 F75 V79I16-L21 HydrophobicContact CG2-CB 4.21Å; I16-L21 HydrophobicContact CG2-CD1 4.22Å; D17-L21 PolarHBondContact O-N 3.33Å; D17-L21 VanDerWaalsContact O-N 3.09Å; V18-L21 PolarHBondContact O-N 3.35Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.09Å; L21-W24 PolarHBondContact O-N 3.36Å; L21-Y25 WeakPolarHBondContact O-CB 3.41Å; L21-Y25 PolarHBondContact O-N 2.79Å; L21-F75 HydrophobicContact CD2-CE1 4.12Å; L21-F75 HydrophobicContact CG-CE1 4.13Å; L21-F75 HydrophobicContact CG-CZ 4.11Å; L21-V79 HydrophobicContact CD1-CB 4.39Å; L21-V79 HydrophobicContact CD1-CG1 3.54Å; L21-V79 HydrophobicContact CD1-CG2 3.96Å; L21-V79 HydrophobicContact CG-CG2 4.48Å
22Q75Confident69.2Low115 Ų11578.4 Ų78.454%0.53742%0.422SS..Hα-helixtrans-62.8-38.7175.8-78.1-177.9-9.600112.2V18 A19 E20 Y25 K26V18-Q22 WeakPolarHBondContact O-CG 3.17Å; V18-Q22 PolarHBondContact O-N 2.86Å; A19-Q22 PolarHBondContact O-N 3.42Å; E20-Q22 PolarHBondContact O-N 3.44Å; Q22-Y25 PolarHBondContact O-N 2.98Å; Q22-K26 WeakPolarHBondContact O-CG 3.21Å; Q22-K26 PolarHBondContact O-N 3.48Å
23E77Confident70.7Confident83 Ų8379.7 Ų79.739%0.38842%0.423SS..Hα-helixtrans-66.2-42.4176.4-173.860-158.400111.2A19 E20 L21 Y25 K26 K27A19-E23 PolarHBondContact O-N 2.73Å; A19-E23 VanDerWaalsContact O-N 3.13Å; E20-E23 PolarHBondContact O-N 2.86Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.09Å; E23-Y25 VanDerWaalsContact C-N 3.34Å; E23-K26 PolarHBondContact O-N 2.92Å; E23-K27 WeakPolarHBondContact O-CG 3.26Å; E23-K27 PolarHBondContact O-N 2.75Å; E23-K27 WeakPolarHBondContact OE1-CE 3.27Å; E23-K27 IonicContact OE1-NZ 3.79Å
24W75.1Confident72.1Confident29 Ų2981 Ų8111%0.1143%0.429CS..Hα-helixtrans-63.6-40.5174-66.4-5.3000112I16 E20 L21 K27 F28 F75 V79 L82 L86I16-W24 HydrophobicContact CD1-CH2 4.01Å; I16-W24 HydrophobicContact CD1-CZ3 3.66Å; I16-W24 HydrophobicContact CG1-CH2 4.28Å; I16-W24 HydrophobicContact CG1-CZ3 4.3Å; I16-W24 HydrophobicContact CG2-CH2 4.49Å; I16-W24 HydrophobicContact CG2-CZ3 4.23Å; E20-W24 HydrophobicContact CG-CZ2 3.89Å; E20-W24 PolarHBondContact O-N 3.42Å; E20-W24 WeakPolarHBondContact OE1-CZ2 3.24Å; L21-W24 PolarHBondContact O-N 3.36Å; W24-K27 PolarHBondContact O-N 3.48Å; W24-F28 VanDerWaalsContact O-CB 3.23Å; W24-F28 WeakPolarHBondContact O-CB 3.01Å; W24-F28 PolarHBondContact O-N 2.89Å; W24-F75 HydrophobicContact CB-CE2 4.24Å; W24-F75 HydrophobicContact CB-CZ 4.44Å; W24-V79 HydrophobicContact CE3-CG1 4.22Å; W24-V79 HydrophobicContact CE3-CG2 4.19Å; W24-V79 HydrophobicContact CZ3-CG1 4.12Å; W24-L82 HydrophobicContact CB-CD1 4.44Å; W24-L82 HydrophobicContact CD2-CD1 3.48Å; W24-L82 VanDerWaalsContact CD2-CD1 3.48Å; W24-L82 HydrophobicContact CE3-CB 4.2Å; W24-L82 HydrophobicContact CE3-CD1 3.55Å; W24-L82 HydrophobicContact CG-CD1 3.9Å; W24-L82 HydrophobicContact CH2-CB 3.96Å; W24-L82 HydrophobicContact CH2-CD1 4.34Å; W24-L82 HydrophobicContact CZ2-CB 4.5Å; W24-L82 HydrophobicContact CZ2-CD1 4.29Å; W24-L82 HydrophobicContact CZ3-CB 3.77Å; W24-L82 HydrophobicContact CZ3-CD1 3.98Å; W24-L86 HydrophobicContact CH2-CD1 3.97Å; W24-L86 HydrophobicContact CZ2-CD1 3.71Å
25Y76.4Confident73.3Confident124 Ų12480 Ų8049%0.48642%0.42SS..Hα-helixtrans-61.2-47.7176.2-173-104.8000111.6L21 Q22 E23 K27 F28 V29 F75L21-Y25 WeakPolarHBondContact O-CB 3.41Å; L21-Y25 PolarHBondContact O-N 2.79Å; Q22-Y25 PolarHBondContact O-N 2.98Å; E23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-K27 VanDerWaalsContact C-N 3.33Å; Y25-K27 PolarHBondContact O-N 2.76Å; Y25-F28 PolarHBondContact O-N 3.02Å; Y25-V29 HydrophobicContact CD1-CG2 4.16Å; Y25-V29 HydrophobicContact CD2-CG2 4.32Å; Y25-V29 HydrophobicContact CE1-CG2 3.76Å; Y25-V29 HydrophobicContact CE2-CG2 3.95Å; Y25-V29 HydrophobicContact CG-CG2 4.43Å; Y25-V29 WeakPolarHBondContact O-CG2 3.45Å; Y25-V29 PolarHBondContact O-N 2.89Å; Y25-F75 VanDerWaalsContact CB-CZ 3.45Å; Y25-F75 HydrophobicContact CD2-CB 4.32Å; Y25-F75 AromaticContact CD2-CD1 3.56Å; Y25-F75 HydrophobicContact CD2-CD1 3.56Å; Y25-F75 AromaticContact CD2-CD2 3.68Å; Y25-F75 HydrophobicContact CD2-CD2 3.68Å; Y25-F75 AromaticContact CD2-CE1 3.67Å; Y25-F75 HydrophobicContact CD2-CE1 3.67Å; Y25-F75 AromaticContact CD2-CE2 3.82Å; Y25-F75 HydrophobicContact CD2-CE2 3.82Å; Y25-F75 AromaticContact CD2-CG 3.55Å; Y25-F75 HydrophobicContact CD2-CG 3.55Å; Y25-F75 AromaticContact CD2-CZ 3.81Å; Y25-F75 HydrophobicContact CD2-CZ 3.81Å; Y25-F75 HydrophobicContact CE2-CB 4.4Å; Y25-F75 HydrophobicContact CE2-CD1 4.18Å; Y25-F75 HydrophobicContact CE2-CG 4.09Å; Y25-F75 HydrophobicContact CG-CE1 4.28Å; Y25-F75 HydrophobicContact CG-CE2 4.27Å; Y25-F75 HydrophobicContact CG-CZ 4.13Å; Y25-F75 VanDerWaalsContact N-CE2 3.33Å
26K79Confident74.4Confident120 Ų12072.5 Ų72.552%0.52239%0.387SS..Hα-helixtrans-57.8-46.8176.6-74.8174.7-176.4173.40111.4Q22 E23 V29 M30Q22-K26 WeakPolarHBondContact O-CG 3.21Å; Q22-K26 PolarHBondContact O-N 3.48Å; E23-K26 PolarHBondContact O-N 2.92Å; K26-V29 PolarHBondContact O-N 3Å; K26-M30 WeakPolarHBondContact O-CB 3.45Å; K26-M30 VanDerWaalsContact O-CG 3.26Å; K26-M30 WeakPolarHBondContact O-CG 3.41Å; K26-M30 PolarHBondContact O-N 2.76Å
27K74.7Confident75.3Confident61 Ų6170.9 Ų70.927%0.26538%0.379SS..Hα-helixtrans-62.8-43.7177.9-71.1-179.2-172.6-172.70112.2E23 W24 Y25 M30 E31 S197E23-K27 WeakPolarHBondContact O-CG 3.26Å; E23-K27 PolarHBondContact O-N 2.75Å; E23-K27 WeakPolarHBondContact OE1-CE 3.27Å; E23-K27 IonicContact OE1-NZ 3.79Å; W24-K27 PolarHBondContact O-N 3.48Å; Y25-K27 VanDerWaalsContact C-N 3.33Å; Y25-K27 PolarHBondContact O-N 2.76Å; K27-M30 HydrophobicContact CG-CE 4.18Å; K27-M30 PolarHBondContact O-N 2.71Å; K27-E31 PolarHBondContact O-N 3.03Å; K27-S197 PolarHBondContact NZ-OG 3.38Å
28F76Confident75.9Confident7 Ų769.6 Ų69.63%0.03137%0.368CS..Hα-helixtrans-62.4-46.3179.5-175.6-98.3000111.6W24 Y25 M30 E31 C32 G35 L37 F75 Y78W24-F28 VanDerWaalsContact O-CB 3.23Å; W24-F28 WeakPolarHBondContact O-CB 3.01Å; W24-F28 PolarHBondContact O-N 2.89Å; Y25-F28 PolarHBondContact O-N 3.02Å; F28-M30 VanDerWaalsContact C-N 3.35Å; F28-M30 PolarHBondContact O-N 2.93Å; F28-E31 PolarHBondContact O-N 3.44Å; F28-C32 WeakPolarHBondContact O-CA 3.43Å; F28-C32 WeakPolarHBondContact O-CB 3.17Å; F28-C32 PolarHBondContact O-N 2.9Å; F28-G35 WeakPolarHBondContact CE1-O 3.35Å; F28-L37 HydrophobicContact CE2-CB 3.87Å; F28-L37 HydrophobicContact CZ-CB 4.02Å; F28-F75 HydrophobicContact CB-CD2 4.01Å; F28-F75 HydrophobicContact CB-CE2 4.31Å; F28-F75 HydrophobicContact CD1-CB 4.22Å; F28-F75 AromaticContact CD1-CD2 3.95Å; F28-F75 HydrophobicContact CD1-CD2 3.95Å; F28-F75 HydrophobicContact CE1-CB 4.17Å; F28-F75 AromaticContact CG-CD2 3.98Å; F28-F75 HydrophobicContact CG-CD2 3.98Å; F28-Y78 AromaticContact CD2-CD1 3.79Å; F28-Y78 HydrophobicContact CD2-CD1 3.79Å; F28-Y78 AromaticContact CD2-CD2 3.98Å; F28-Y78 HydrophobicContact CD2-CD2 3.98Å; F28-Y78 HydrophobicContact CD2-CE1 4.14Å; F28-Y78 HydrophobicContact CD2-CE2 4.3Å; F28-Y78 AromaticContact CD2-CG 3.71Å; F28-Y78 HydrophobicContact CD2-CG 3.71Å; F28-Y78 HydrophobicContact CE2-CD1 4.4Å; F28-Y78 HydrophobicContact CE2-CD2 4.03Å; F28-Y78 AromaticContact CE2-CG 3.88Å; F28-Y78 HydrophobicContact CE2-CG 3.88Å; F28-Y78 HydrophobicContact CG-CD1 4.41Å
29V78.6Confident76.3Confident52 Ų5266.6 Ų66.632%0.31535%0.348SS..Hα-helixtrans-68.5-32.8177.7175.70000112.3Y25 K26 C32 P33Y25-V29 HydrophobicContact CD1-CG2 4.16Å; Y25-V29 HydrophobicContact CD2-CG2 4.32Å; Y25-V29 HydrophobicContact CE1-CG2 3.76Å; Y25-V29 HydrophobicContact CE2-CG2 3.95Å; Y25-V29 HydrophobicContact CG-CG2 4.43Å; Y25-V29 WeakPolarHBondContact O-CG2 3.45Å; Y25-V29 PolarHBondContact O-N 2.89Å; K26-V29 PolarHBondContact O-N 3Å; V29-C32 CarbonylContact O-C 3.34Å; V29-P33 WeakPolarHBondContact O-CA 3.44Å
30M75.7Confident76.4Confident142 Ų14269.4 Ų69.470%0.735%0.351SS*.Hα-helixtrans-66-40.5175.2-78.3-170.6-61.200112.5K26 K27 F28K26-M30 WeakPolarHBondContact O-CB 3.45Å; K26-M30 VanDerWaalsContact O-CG 3.26Å; K26-M30 WeakPolarHBondContact O-CG 3.41Å; K26-M30 PolarHBondContact O-N 2.76Å; K27-M30 HydrophobicContact CG-CE 4.18Å; K27-M30 PolarHBondContact O-N 2.71Å; F28-M30 VanDerWaalsContact C-N 3.35Å; F28-M30 PolarHBondContact O-N 2.93Å
31E70.2Confident76.5Confident105 Ų10567.5 Ų67.549%0.49134%0.342SS..Hα-helixtrans-81.7-34.3178.8-69.8-74.4140.500112.2K27 F28 F45K27-E31 PolarHBondContact O-N 3.03Å; F28-E31 PolarHBondContact O-N 3.44Å; E31-F45 HydrophobicContact CB-CZ 4.12Å; E31-F45 HydrophobicContact CG-CZ 4.39Å; E31-F45 VanDerWaalsContact OE2-CE1 3.3Å; E31-F45 WeakPolarHBondContact OE2-CE1 3.32Å; E31-F45 WeakPolarHBondContact OE2-CZ 3.45Å
32C72.4Confident76.6Confident2 Ų264.8 Ų64.81%0.01433%0.328CS..  trans-122.984.4-178.7-65.30000109.8F28 V29 S34 G35 L37F28-C32 WeakPolarHBondContact O-CA 3.43Å; F28-C32 WeakPolarHBondContact O-CB 3.17Å; F28-C32 PolarHBondContact O-N 2.9Å; V29-C32 CarbonylContact O-C 3.34Å; C32-S34 PolarHBondContact O-N 2.86Å; C32-S34 VanDerWaalsContact O-N 3.08Å; C32-G35 PolarHBondContact O-N 3.09Å; C32-L37 WeakPolarHBondContact SG-CD1 3.24Å
33P73Confident76.4Confident115 Ų11561.2 Ų61.275%0.74731%0.31SS*.THydrogen-bonded Turntrans-63.7-16.9-179.225-34000113.3V29 G35V29-P33 WeakPolarHBondContact O-CA 3.44Å; P33-G35 PolarHBondContact O-N 3.3Å
34S76.5Confident76.1Confident73 Ų7364 Ų6451%0.5132%0.317SS..THydrogen-bonded Turntrans-68.6-17.8171.644.70000113.9C32 T36C32-S34 PolarHBondContact O-N 2.86Å; C32-S34 VanDerWaalsContact O-N 3.08Å; S34-T36 PolarHBondContact O-N 2.91Å; S34-T36 PolarHBondContact OG-O 3.3Å
35G75.5Confident75.6Confident31 Ų3164.7 Ų64.732%0.3232%0.321SS..SBendtrans74.97.5-170.800000114F28 C32 P33F28-G35 WeakPolarHBondContact CE1-O 3.35Å; C32-G35 PolarHBondContact O-N 3.09Å; P33-G35 PolarHBondContact O-N 3.3Å
36T81.8Confident74.9Confident35 Ų3561.4 Ų61.422%0.21531%0.309CS..SBendtrans-141.6140.7176.255.30000110S34S34-T36 PolarHBondContact O-N 2.91Å; S34-T36 PolarHBondContact OG-O 3.3Å
37L80.6Confident74.2Confident5 Ų563.1 Ų63.13%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-96.1112.8179178.770.4000109.1F28 C32 E41 F42 F45 F62 I73F28-L37 HydrophobicContact CE2-CB 3.87Å; F28-L37 HydrophobicContact CZ-CB 4.02Å; C32-L37 WeakPolarHBondContact SG-CD1 3.24Å; L37-E41 HydrophobicContact CD1-CB 3.59Å; L37-F42 HydrophobicContact CD2-CD2 3.65Å; L37-F42 HydrophobicContact CD2-CE2 4.37Å; L37-F42 HydrophobicContact CG-CD2 4.47Å; L37-F45 HydrophobicContact CD1-CD2 4.01Å; L37-F45 HydrophobicContact CD1-CE2 3.57Å; L37-F62 WeakPolarHBondContact O-CE2 3.49Å; L37-F62 WeakPolarHBondContact O-CZ 3.32Å; L37-I73 HydrophobicContact CB-CB 4.15Å; L37-I73 HydrophobicContact CD2-CB 4.49Å; L37-I73 HydrophobicContact CD2-CD1 4.46Å; L37-I73 PolarHBondContact N-O 3.45Å; L37-I73 PolarHBondContact O-N 3.47Å
38F82.9Confident73.5Confident78 Ų7861 Ų6134%0.34231%0.309SS..EExtended strand (participates in β ladder)trans-82.5155.8178.1-68-87.8000111.6H40 E41 F42 T72F38-H40 WeakPolarHBondContact CB-CE1 3.32Å; F38-H40 VanDerWaalsContact CB-ND1 3.34Å; F38-H40 WeakPolarHBondContact CB-ND1 3.32Å; F38-H40 AromaticContact CG-CE1 3.66Å; F38-H40 PolarHBondContact O-N 3.43Å; F38-H40 VanDerWaalsContact O-N 3.14Å; F38-E41 HydrophobicContact CB-CG 4.35Å; F38-E41 WeakPolarHBondContact O-CA 3.26Å; F38-E41 WeakPolarHBondContact O-CB 3.28Å; F38-E41 PolarHBondContact O-N 3.15Å; F38-F42 PolarHBondContact O-N 2.86Å; F38-T72 HydrophobicContact CD1-CG2 3.71Å; F38-T72 HydrophobicContact CE1-CG2 3.57Å; F38-T72 HydrophobicContact CG-CG2 4.5Å; F38-T72 HydrophobicContact CZ-CG2 4.27Å
39M79.4Confident72.7Confident34 Ų3465.6 Ų65.617%0.16734%0.338CS..Hα-helixtrans-49.7-41.6176.8-176.666.67800113.5F42 K43 E59 F62M39-F42 WeakPolarHBondContact O-CB 3.15Å; M39-F42 PolarHBondContact O-N 3.17Å; M39-K43 HydrophobicContact CG-CD 4.42Å; M39-K43 WeakPolarHBondContact O-CG 3.38Å; M39-K43 PolarHBondContact O-N 3.18Å; M39-E59 HydrophobicContact CE-CB 4.06Å; M39-E59 HydrophobicContact CE-CG 3.76Å; M39-E59 HydrophobicContact CG-CG 4.29Å; M39-E59 HydrophobicContact SD-CB 4.27Å; M39-E59 HydrophobicContact SD-CG 3.63Å; M39-F62 HydrophobicContact CB-CE1 4.5Å; M39-F62 HydrophobicContact CB-CE2 4.4Å; M39-F62 HydrophobicContact CB-CZ 4.32Å; M39-F62 HydrophobicContact CE-CB 3.55Å; M39-F62 HydrophobicContact CE-CD1 3.2Å; M39-F62 HydrophobicContact CE-CD2 4.29Å; M39-F62 HydrophobicContact CE-CE1 3.92Å; M39-F62 HydrophobicContact CE-CG 3.41Å; M39-F62 VanDerWaalsContact CE-CG 3.41Å; M39-F62 HydrophobicContact SD-CB 3.56Å; M39-F62 VanDerWaalsContact SD-CB 3.56Å; M39-F62 HydrophobicContact SD-CD1 3.95Å; M39-F62 HydrophobicContact SD-CD2 3.93Å; M39-F62 HydrophobicContact SD-CG 3.53Å; M39-F62 VanDerWaalsContact SD-CG 3.53Å
40H76.6Confident71.9Confident118 Ų11870.6 Ų70.655%0.54636%0.363SS..Hα-helixtrans-67.3-36.4179.765-89.9000112.5F38 R44F38-H40 WeakPolarHBondContact CB-CE1 3.32Å; F38-H40 VanDerWaalsContact CB-ND1 3.34Å; F38-H40 WeakPolarHBondContact CB-ND1 3.32Å; F38-H40 AromaticContact CG-CE1 3.66Å; F38-H40 PolarHBondContact O-N 3.43Å; F38-H40 VanDerWaalsContact O-N 3.14Å; H40-R44 WeakPolarHBondContact O-CB 3.46Å; H40-R44 PolarHBondContact O-N 2.89Å
41E76.5Confident71.4Confident26 Ų2666.7 Ų66.712%0.12135%0.345CS..Hα-helixtrans-66.4-44.4173.3-61.6-6889.500109.6L37 F38 R44 F45L37-E41 HydrophobicContact CD1-CB 3.59Å; F38-E41 HydrophobicContact CB-CG 4.35Å; F38-E41 WeakPolarHBondContact O-CA 3.26Å; F38-E41 WeakPolarHBondContact O-CB 3.28Å; F38-E41 PolarHBondContact O-N 3.15Å; E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 PolarHBondContact O-N 3.02Å; E41-R44 VanDerWaalsContact O-N 3.17Å; E41-R44 IonicContact OE1-CZ 3.03Å; E41-R44 IonicContact OE1-NE 3.96Å; E41-R44 IonicContact OE1-NH1 2.69Å; E41-R44 PolarHBondContact OE1-NH1 2.89Å; E41-R44 IonicContact OE1-NH2 3.99Å; E41-R44 PolarHBondContact OE1-NH2 2.72Å; E41-R44 IonicContact OE2-CZ 3.49Å; E41-R44 IonicContact OE2-NH1 3.71Å; E41-R44 IonicContact OE2-NH2 3.76Å; E41-R44 PolarHBondContact OE2-NH2 3.11Å; E41-F45 HydrophobicContact CB-CE2 4.43Å; E41-F45 WeakPolarHBondContact O-CD2 3.3Å; E41-F45 PolarHBondContact O-N 3.01Å
42F75.7Confident71.3Confident6 Ų669.3 Ų69.33%0.02636%0.357CS..Hα-helixtrans-58.6-48.2176-162.5-111000112.2L37 F38 M39 R44 F45 F46 V58 M61 F62 F65 I73L37-F42 HydrophobicContact CD2-CD2 3.65Å; L37-F42 HydrophobicContact CD2-CE2 4.37Å; L37-F42 HydrophobicContact CG-CD2 4.47Å; F38-F42 PolarHBondContact O-N 2.86Å; M39-F42 WeakPolarHBondContact O-CB 3.15Å; M39-F42 PolarHBondContact O-N 3.17Å; F42-R44 VanDerWaalsContact C-N 3.32Å; F42-R44 PolarHBondContact O-N 3Å; F42-F45 WeakPolarHBondContact O-CB 3.41Å; F42-F45 PolarHBondContact O-N 3.45Å; F42-F46 HydrophobicContact CD1-CD2 4.2Å; F42-F46 HydrophobicContact CD1-CE2 4.04Å; F42-F46 HydrophobicContact CD2-CE2 4.26Å; F42-F46 HydrophobicContact CE1-CD2 4.08Å; F42-F46 AromaticContact CE1-CE2 3.53Å; F42-F46 HydrophobicContact CE1-CE2 3.53Å; F42-F46 HydrophobicContact CE1-CZ 4.41Å; F42-F46 AromaticContact CE2-CE2 3.81Å; F42-F46 HydrophobicContact CE2-CE2 3.81Å; F42-F46 HydrophobicContact CG-CE2 4.38Å; F42-F46 HydrophobicContact CZ-CD2 4.36Å; F42-F46 AromaticContact CZ-CE2 3.42Å; F42-F46 HydrophobicContact CZ-CE2 3.42Å; F42-F46 VanDerWaalsContact CZ-CE2 3.42Å; F42-F46 HydrophobicContact CZ-CZ 4.1Å; F42-F46 WeakPolarHBondContact O-CD2 3.14Å; F42-F46 PolarHBondContact O-N 3.17Å; F42-V58 HydrophobicContact CD1-CG1 3.38Å; F42-V58 HydrophobicContact CE1-CG1 3.75Å; F42-V58 HydrophobicContact CG-CG1 4.46Å; F42-M61 HydrophobicContact CE1-CB 4.27Å; F42-M61 HydrophobicContact CE1-CG 4.14Å; F42-M61 HydrophobicContact CZ-CG 3.98Å; F42-F62 HydrophobicContact CB-CD2 3.64Å; F42-F62 HydrophobicContact CB-CE2 4.03Å; F42-F62 HydrophobicContact CD1-CB 3.81Å; F42-F62 AromaticContact CD1-CD2 3.74Å; F42-F62 HydrophobicContact CD1-CD2 3.74Å; F42-F62 HydrophobicContact CD1-CG 4.28Å; F42-F62 HydrophobicContact CD2-CD2 4.23Å; F42-F62 HydrophobicContact CE1-CB 3.95Å; F42-F62 HydrophobicContact CE1-CD2 4.41Å; F42-F62 AromaticContact CG-CD2 3.63Å; F42-F62 HydrophobicContact CG-CD2 3.63Å; F42-F62 HydrophobicContact CG-CE2 4.39Å; F42-F65 HydrophobicContact CZ-CD2 4.11Å; F42-F65 HydrophobicContact CZ-CE2 4.2Å; F42-I73 HydrophobicContact CD2-CD1 4.38Å; F42-I73 HydrophobicContact CE2-CD1 4.32Å
43K71.1Confident70.8Confident40 Ų4073.5 Ų73.517%0.17438%0.376CS..Hα-helixtrans-58.7-41.4173.7-72.8-177.8-178.1-170.50112.5M39 F45 F46 K47 V48 S55 V58 E59M39-K43 HydrophobicContact CG-CD 4.42Å; M39-K43 WeakPolarHBondContact O-CG 3.38Å; M39-K43 PolarHBondContact O-N 3.18Å; K43-F45 VanDerWaalsContact C-N 3.27Å; K43-F45 PolarHBondContact O-N 2.81Å; K43-F46 PolarHBondContact O-N 3.32Å; K43-K47 PolarHBondContact O-N 3.47Å; K43-K47 VanDerWaalsContact O-N 3.16Å; K43-V48 PolarHBondContact O-N 3.34Å; K43-V48 VanDerWaalsContact O-N 3.16Å; K43-S55 WeakPolarHBondContact CD-OG 3.41Å; K43-S55 WeakPolarHBondContact CE-OG 3.38Å; K43-S55 PolarHBondContact NZ-OG 2.99Å; K43-V58 HydrophobicContact CG-CG1 3.91Å; K43-E59 VanDerWaalsContact CE-CG 3.43Å; K43-E59 WeakPolarHBondContact CE-OE1 3.26Å; K43-E59 VanDerWaalsContact NZ-CD 3.26Å; K43-E59 IonicContact NZ-OE1 3.07Å; K43-E59 PolarHBondContact NZ-OE1 2.93Å
44R70.3Confident70.4Confident140 Ų14068.1 Ų68.153%0.52834%0.342SS..Hα-helixtrans-61.3-36175.4-167.2173.473.5-148.5-3.4111.8H40 E41 F42 K47H40-R44 WeakPolarHBondContact O-CB 3.46Å; H40-R44 PolarHBondContact O-N 2.89Å; E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 PolarHBondContact O-N 3.02Å; E41-R44 VanDerWaalsContact O-N 3.17Å; E41-R44 IonicContact OE1-CZ 3.03Å; E41-R44 IonicContact OE1-NE 3.96Å; E41-R44 IonicContact OE1-NH1 2.69Å; E41-R44 PolarHBondContact OE1-NH1 2.89Å; E41-R44 IonicContact OE1-NH2 3.99Å; E41-R44 PolarHBondContact OE1-NH2 2.72Å; E41-R44 IonicContact OE2-CZ 3.49Å; E41-R44 IonicContact OE2-NH1 3.71Å; E41-R44 IonicContact OE2-NH2 3.76Å; E41-R44 PolarHBondContact OE2-NH2 3.11Å; F42-R44 VanDerWaalsContact C-N 3.32Å; F42-R44 PolarHBondContact O-N 3Å; R44-K47 PolarHBondContact O-N 3.49Å; R44-K47 VanDerWaalsContact O-N 3.17Å
45F65.4Low70.2Confident45 Ų4565.7 Ų65.720%0.19733%0.325CS..Hα-helixtrans-64.1-41.1175-78.1-67.9000113.1E31 L37 E41 F42 K43 K47E31-F45 HydrophobicContact CB-CZ 4.12Å; E31-F45 HydrophobicContact CG-CZ 4.39Å; E31-F45 VanDerWaalsContact OE2-CE1 3.3Å; E31-F45 WeakPolarHBondContact OE2-CE1 3.32Å; E31-F45 WeakPolarHBondContact OE2-CZ 3.45Å; L37-F45 HydrophobicContact CD1-CD2 4.01Å; L37-F45 HydrophobicContact CD1-CE2 3.57Å; E41-F45 HydrophobicContact CB-CE2 4.43Å; E41-F45 WeakPolarHBondContact O-CD2 3.3Å; E41-F45 PolarHBondContact O-N 3.01Å; F42-F45 WeakPolarHBondContact O-CB 3.41Å; F42-F45 PolarHBondContact O-N 3.45Å; K43-F45 VanDerWaalsContact C-N 3.27Å; K43-F45 PolarHBondContact O-N 2.81Å; F45-K47 PolarHBondContact O-N 2.98Å
46F60.9Low70Confident55 Ų5569 Ų6924%0.24133%0.332CS..THydrogen-bonded Turntrans-77.2-1.9176.1-74.6-86.7000113.4F42 K43 V48 V58 M61 W189F42-F46 HydrophobicContact CD1-CD2 4.2Å; F42-F46 HydrophobicContact CD1-CE2 4.04Å; F42-F46 HydrophobicContact CD2-CE2 4.26Å; F42-F46 HydrophobicContact CE1-CD2 4.08Å; F42-F46 AromaticContact CE1-CE2 3.53Å; F42-F46 HydrophobicContact CE1-CE2 3.53Å; F42-F46 HydrophobicContact CE1-CZ 4.41Å; F42-F46 AromaticContact CE2-CE2 3.81Å; F42-F46 HydrophobicContact CE2-CE2 3.81Å; F42-F46 HydrophobicContact CG-CE2 4.38Å; F42-F46 HydrophobicContact CZ-CD2 4.36Å; F42-F46 AromaticContact CZ-CE2 3.42Å; F42-F46 HydrophobicContact CZ-CE2 3.42Å; F42-F46 VanDerWaalsContact CZ-CE2 3.42Å; F42-F46 HydrophobicContact CZ-CZ 4.1Å; F42-F46 WeakPolarHBondContact O-CD2 3.14Å; F42-F46 PolarHBondContact O-N 3.17Å; K43-F46 PolarHBondContact O-N 3.32Å; F46-V48 HydrophobicContact CB-CB 4.46Å; F46-V48 HydrophobicContact CB-CG2 3.8Å; F46-V48 PolarHBondContact O-N 2.95Å; F46-V58 HydrophobicContact CB-CG2 3.81Å; F46-V58 HydrophobicContact CD1-CG2 4.37Å; F46-V58 HydrophobicContact CD2-CG1 3.88Å; F46-V58 HydrophobicContact CD2-CG2 4.12Å; F46-V58 HydrophobicContact CG-CG1 4.39Å; F46-V58 HydrophobicContact CG-CG2 3.84Å; F46-M61 HydrophobicContact CZ-SD 4.14Å; F46-W189 HydrophobicContact CE1-CB 4.12Å; F46-W189 AromaticContact CE1-CD1 3.74Å; F46-W189 AromaticContact CE1-CG 3.99Å; F46-W189 HydrophobicContact CE1-CG 3.99Å; F46-W189 AromaticContact CE2-CD1 3.96Å; F46-W189 AromaticContact CE2-NE1 3.89Å; F46-W189 HydrophobicContact CZ-CB 4.36Å; F46-W189 AromaticContact CZ-CD1 3.63Å; F46-W189 HydrophobicContact CZ-CD2 4.25Å; F46-W189 AromaticContact CZ-CG 3.85Å; F46-W189 HydrophobicContact CZ-CG 3.85Å; F46-W189 AromaticContact CZ-NE1 3.97Å
47K63.6Low69.3Low156 Ų15668.2 Ų68.268%0.67833%0.325SS*.THydrogen-bonded Turntrans53.929.4-173.1-59.1-176.4174.8-173.70112.8K43 R44 F45 T49K43-K47 PolarHBondContact O-N 3.47Å; K43-K47 VanDerWaalsContact O-N 3.16Å; R44-K47 PolarHBondContact O-N 3.49Å; R44-K47 VanDerWaalsContact O-N 3.17Å; F45-K47 PolarHBondContact O-N 2.98Å; K47-T49 PolarHBondContact O-N 3.35Å
48V61.4Low68.9Low16 Ų1668.1 Ų68.110%0.09732%0.324CS..  trans-92.582.5176.5178.10000106.5K43 F46 A54 S55 V58K43-V48 PolarHBondContact O-N 3.34Å; K43-V48 VanDerWaalsContact O-N 3.16Å; F46-V48 HydrophobicContact CB-CB 4.46Å; F46-V48 HydrophobicContact CB-CG2 3.8Å; F46-V48 PolarHBondContact O-N 2.95Å; V48-A54 HydrophobicContact CB-CB 4.38Å; V48-A54 VanDerWaalsContact CG1-C 3.5Å; V48-A54 HydrophobicContact CG1-CB 3.55Å; V48-A54 HydrophobicContact CG2-CB 3.85Å; V48-S55 VanDerWaalsContact CG1-N 3.34Å; V48-V58 HydrophobicContact CB-CG2 4.41Å; V48-V58 HydrophobicContact CG2-CG2 3.92Å
49T57.8Low68.7Low103 Ų10367.3 Ų67.363%0.63232%0.322SS*.SBendtrans-102.4-27.2-179.552.30000113.2K47K47-T49 PolarHBondContact O-N 3.35Å
50D61.7Low68.3Low157 Ų15766.5 Ų66.584%0.8432%0.322SS*.SBendtrans-129.95.4-169-68.5-74.6000114.5
51D65.5Low68.2Low61 Ų6161.1 Ų61.133%0.32630%0.298SS..  trans-115.8109.6-177.7-167.4-73000109.6E53 A54 S55D51-E53 VanDerWaalsContact C-N 3.28Å; D51-E53 PolarHBondContact O-N 2.75Å; D51-E53 PolarHBondContact OD1-N 3.01Å; D51-A54 HydrophobicContact CB-CB 4.03Å; D51-A54 WeakPolarHBondContact OD1-CB 3.24Å; D51-A54 PolarHBondContact OD1-N 2.8Å; D51-S55 WeakPolarHBondContact O-CB 3.46Å; D51-S55 PolarHBondContact O-N 2.92Å
52E69.1Low68.4Low160 Ų16059.9 Ų59.975%0.74829%0.292SS*.Hα-helixtrans-61.9-35.9-177.8-76.8-167.8164.600112.1S55 Q56E52-S55 WeakPolarHBondContact O-CB 3.22Å; E52-S55 PolarHBondContact O-N 3.45Å; E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 2.94Å
53E62.2Low68.4Low89 Ų8966.1 Ų66.142%0.41632%0.315SS..Hα-helixtrans-75.7-43.7-174.5-66.9155.8174.300110.5D51 S55 Q56 Y57 Q123D51-E53 VanDerWaalsContact C-N 3.28Å; D51-E53 PolarHBondContact O-N 2.75Å; D51-E53 PolarHBondContact OD1-N 3.01Å; E53-S55 PolarHBondContact O-N 2.83Å; E53-Q56 PolarHBondContact O-N 2.9Å; E53-Y57 PolarHBondContact O-N 3.1Å; E53-Y57 VanDerWaalsContact O-N 3.15Å; E53-Q123 HydrophobicContact CB-CB 4.15Å; E53-Q123 HydrophobicContact CB-CG 4.05Å; E53-Q123 HydrophobicContact CG-CG 4.46Å; E53-Q123 WeakPolarHBondContact OE2-CG 3.34Å; E53-Q123 PolarHBondContact OE2-NE2 3.13Å
54A63.8Low68.6Low3 Ų364.4 Ų64.43%0.02531%0.308CS..Hα-helixtrans-64.4-31.1168.800000111.5V48 D51 Q56 Y57 V58V48-A54 HydrophobicContact CB-CB 4.38Å; V48-A54 VanDerWaalsContact CG1-C 3.5Å; V48-A54 HydrophobicContact CG1-CB 3.55Å; V48-A54 HydrophobicContact CG2-CB 3.85Å; D51-A54 HydrophobicContact CB-CB 4.03Å; D51-A54 WeakPolarHBondContact OD1-CB 3.24Å; D51-A54 PolarHBondContact OD1-N 2.8Å; A54-Q56 VanDerWaalsContact C-N 3.34Å; A54-Y57 PolarHBondContact O-N 3.23Å; A54-V58 WeakPolarHBondContact O-CB 3.44Å; A54-V58 VanDerWaalsContact O-CG2 3.28Å; A54-V58 WeakPolarHBondContact O-CG2 3.21Å; A54-V58 PolarHBondContact O-N 2.93Å
55S72Confident68.9Low22 Ų2258.6 Ų58.615%0.15429%0.287CS..Hα-helixtrans-60.8-46.2175.2-132.90000110.6K43 V48 D51 E52 E53 Y57 V58 E59K43-S55 WeakPolarHBondContact CD-OG 3.41Å; K43-S55 WeakPolarHBondContact CE-OG 3.38Å; K43-S55 PolarHBondContact NZ-OG 2.99Å; V48-S55 VanDerWaalsContact CG1-N 3.34Å; D51-S55 WeakPolarHBondContact O-CB 3.46Å; D51-S55 PolarHBondContact O-N 2.92Å; E52-S55 WeakPolarHBondContact O-CB 3.22Å; E52-S55 PolarHBondContact O-N 3.45Å; E53-S55 PolarHBondContact O-N 2.83Å; S55-Y57 VanDerWaalsContact C-N 3.35Å; S55-Y57 PolarHBondContact O-N 2.95Å; S55-V58 PolarHBondContact O-N 3.31Å; S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 VanDerWaalsContact O-CG 3.22Å; S55-E59 WeakPolarHBondContact O-CG 3.2Å; S55-E59 PolarHBondContact O-N 3.32Å
56Q70.9Confident69.8Low101 Ų10157 Ų5747%0.47228%0.28SS..Hα-helixtrans-64-39.8178.5-71.7179.163.600111.9E52 E53 A54 E59 G60E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 2.94Å; E53-Q56 PolarHBondContact O-N 2.9Å; A54-Q56 VanDerWaalsContact C-N 3.34Å; Q56-E59 PolarHBondContact O-N 3.08Å; Q56-G60 PolarHBondContact O-N 3.11Å
57Y68.8Low70.4Confident18 Ų1861.3 Ų61.37%0.07130%0.299CS..Hα-helixtrans-62.8-47.1174.8-178.4-97.1000111.9E53 A54 S55 E59 G60 M61 I121 L124 D183E53-Y57 PolarHBondContact O-N 3.1Å; E53-Y57 VanDerWaalsContact O-N 3.15Å; A54-Y57 PolarHBondContact O-N 3.23Å; S55-Y57 VanDerWaalsContact C-N 3.35Å; S55-Y57 PolarHBondContact O-N 2.95Å; Y57-E59 VanDerWaalsContact C-N 3.3Å; Y57-E59 PolarHBondContact O-N 3.38Å; Y57-G60 PolarHBondContact O-N 3.35Å; Y57-M61 PolarHBondContact O-N 2.96Å; Y57-I121 HydrophobicContact CE2-CG1 4.35Å; Y57-L124 HydrophobicContact CD1-CD2 4.19Å; Y57-L124 HydrophobicContact CE1-CD2 3.92Å; Y57-D183 WeakPolarHBondContact CE2-OD1 3.43Å; Y57-D183 VanDerWaalsContact OH-CA 3.26Å; Y57-D183 WeakPolarHBondContact OH-CA 3.25Å; Y57-D183 PolarHBondContact OH-O 3.36Å; Y57-D183 PolarHBondContact OH-OD1 3.44Å
58V72.4Confident71.2Confident2 Ų257.8 Ų57.81%0.01229%0.288CS..Hα-helixtrans-64.8-35.8177.3173.10000111.2F42 K43 F46 V48 A54 S55 M61 F62F42-V58 HydrophobicContact CD1-CG1 3.38Å; F42-V58 HydrophobicContact CE1-CG1 3.75Å; F42-V58 HydrophobicContact CG-CG1 4.46Å; K43-V58 HydrophobicContact CG-CG1 3.91Å; F46-V58 HydrophobicContact CB-CG2 3.81Å; F46-V58 HydrophobicContact CD1-CG2 4.37Å; F46-V58 HydrophobicContact CD2-CG1 3.88Å; F46-V58 HydrophobicContact CD2-CG2 4.12Å; F46-V58 HydrophobicContact CG-CG1 4.39Å; F46-V58 HydrophobicContact CG-CG2 3.84Å; V48-V58 HydrophobicContact CB-CG2 4.41Å; V48-V58 HydrophobicContact CG2-CG2 3.92Å; A54-V58 WeakPolarHBondContact O-CB 3.44Å; A54-V58 VanDerWaalsContact O-CG2 3.28Å; A54-V58 WeakPolarHBondContact O-CG2 3.21Å; A54-V58 PolarHBondContact O-N 2.93Å; S55-V58 PolarHBondContact O-N 3.31Å; V58-M61 PolarHBondContact O-N 3.17Å; V58-F62 WeakPolarHBondContact O-CB 3.17Å; V58-F62 PolarHBondContact O-N 2.86Å
59E77.4Confident72.1Confident62 Ų6259.5 Ų59.529%0.2931%0.309SS..Hα-helixtrans-64.2-42.2172.9-77.5176.3153.600112.4M39 K43 S55 Q56 Y57 M61 F62 R63M39-E59 HydrophobicContact CE-CB 4.06Å; M39-E59 HydrophobicContact CE-CG 3.76Å; M39-E59 HydrophobicContact CG-CG 4.29Å; M39-E59 HydrophobicContact SD-CB 4.27Å; M39-E59 HydrophobicContact SD-CG 3.63Å; K43-E59 VanDerWaalsContact CE-CG 3.43Å; K43-E59 WeakPolarHBondContact CE-OE1 3.26Å; K43-E59 VanDerWaalsContact NZ-CD 3.26Å; K43-E59 IonicContact NZ-OE1 3.07Å; K43-E59 PolarHBondContact NZ-OE1 2.93Å; S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 VanDerWaalsContact O-CG 3.22Å; S55-E59 WeakPolarHBondContact O-CG 3.2Å; S55-E59 PolarHBondContact O-N 3.32Å; Q56-E59 PolarHBondContact O-N 3.08Å; Y57-E59 VanDerWaalsContact C-N 3.3Å; Y57-E59 PolarHBondContact O-N 3.38Å; E59-M61 VanDerWaalsContact C-N 3.35Å; E59-F62 PolarHBondContact O-N 3.06Å; E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-N 3.35Å
60G72Confident73.3Confident17 Ų1758.3 Ų58.318%0.17530%0.298CS..Hα-helixtrans-60.4-45.2173.600000111.6Q56 Y57 F62 R63 A64Q56-G60 PolarHBondContact O-N 3.11Å; Y57-G60 PolarHBondContact O-N 3.35Å; G60-F62 VanDerWaalsContact C-N 3.34Å; G60-F62 PolarHBondContact O-N 3.01Å; G60-R63 PolarHBondContact O-N 3.05Å; G60-A64 WeakPolarHBondContact O-CB 3.5Å; G60-A64 PolarHBondContact O-N 3.37Å
61M74.3Confident74.2Confident5 Ų555.6 Ų55.63%0.02528%0.284CS..Hα-helixtrans-63.3-39.9176-178.6155.5-78.400112.4F42 F46 Y57 V58 E59 A64 F65 W96 P186F42-M61 HydrophobicContact CE1-CB 4.27Å; F42-M61 HydrophobicContact CE1-CG 4.14Å; F42-M61 HydrophobicContact CZ-CG 3.98Å; F46-M61 HydrophobicContact CZ-SD 4.14Å; Y57-M61 PolarHBondContact O-N 2.96Å; V58-M61 PolarHBondContact O-N 3.17Å; E59-M61 VanDerWaalsContact C-N 3.35Å; M61-A64 PolarHBondContact O-N 3.37Å; M61-F65 HydrophobicContact CG-CD2 4Å; M61-F65 HydrophobicContact CG-CE2 3.49Å; M61-F65 VanDerWaalsContact CG-CE2 3.49Å; M61-F65 HydrophobicContact CG-CZ 4.34Å; M61-F65 WeakPolarHBondContact O-CD2 3.34Å; M61-F65 PolarHBondContact O-N 3.03Å; M61-F65 HydrophobicContact SD-CE2 4.14Å; M61-W96 HydrophobicContact CE-CH2 3.64Å; M61-W96 HydrophobicContact CE-CZ3 3.96Å; M61-W96 HydrophobicContact CG-CH2 4Å; M61-W96 HydrophobicContact SD-CH2 4.39Å; M61-P186 HydrophobicContact CE-CG 4.17Å; M61-P186 HydrophobicContact SD-CG 4.32Å
62F79.1Confident75.1Confident0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-63.3-48176-175.5-82.8000111.6L37 M39 F42 V58 E59 G60 A64 F65 D66 N71 I73L37-F62 WeakPolarHBondContact O-CE2 3.49Å; L37-F62 WeakPolarHBondContact O-CZ 3.32Å; M39-F62 HydrophobicContact CB-CE1 4.5Å; M39-F62 HydrophobicContact CB-CE2 4.4Å; M39-F62 HydrophobicContact CB-CZ 4.32Å; M39-F62 HydrophobicContact CE-CB 3.55Å; M39-F62 HydrophobicContact CE-CD1 3.2Å; M39-F62 HydrophobicContact CE-CD2 4.29Å; M39-F62 HydrophobicContact CE-CE1 3.92Å; M39-F62 HydrophobicContact CE-CG 3.41Å; M39-F62 VanDerWaalsContact CE-CG 3.41Å; M39-F62 HydrophobicContact SD-CB 3.56Å; M39-F62 VanDerWaalsContact SD-CB 3.56Å; M39-F62 HydrophobicContact SD-CD1 3.95Å; M39-F62 HydrophobicContact SD-CD2 3.93Å; M39-F62 HydrophobicContact SD-CG 3.53Å; M39-F62 VanDerWaalsContact SD-CG 3.53Å; F42-F62 HydrophobicContact CB-CD2 3.64Å; F42-F62 HydrophobicContact CB-CE2 4.03Å; F42-F62 HydrophobicContact CD1-CB 3.81Å; F42-F62 AromaticContact CD1-CD2 3.74Å; F42-F62 HydrophobicContact CD1-CD2 3.74Å; F42-F62 HydrophobicContact CD1-CG 4.28Å; F42-F62 HydrophobicContact CD2-CD2 4.23Å; F42-F62 HydrophobicContact CE1-CB 3.95Å; F42-F62 HydrophobicContact CE1-CD2 4.41Å; F42-F62 AromaticContact CG-CD2 3.63Å; F42-F62 HydrophobicContact CG-CD2 3.63Å; F42-F62 HydrophobicContact CG-CE2 4.39Å; V58-F62 WeakPolarHBondContact O-CB 3.17Å; V58-F62 PolarHBondContact O-N 2.86Å; E59-F62 PolarHBondContact O-N 3.06Å; G60-F62 VanDerWaalsContact C-N 3.34Å; G60-F62 PolarHBondContact O-N 3.01Å; F62-A64 PolarHBondContact O-N 2.84Å; F62-F65 PolarHBondContact O-N 3.44Å; F62-D66 HydrophobicContact CD1-CB 4.35Å; F62-D66 HydrophobicContact CE1-CB 4.24Å; F62-D66 WeakPolarHBondContact O-CB 3.21Å; F62-D66 PolarHBondContact O-N 3.37Å; F62-N71 WeakPolarHBondContact CE1-O 3.34Å; F62-N71 WeakPolarHBondContact CZ-O 3.48Å; F62-I73 HydrophobicContact CD2-CD1 3.38Å; F62-I73 HydrophobicContact CD2-CG1 3.97Å; F62-I73 HydrophobicContact CE1-CG1 4.31Å; F62-I73 HydrophobicContact CE2-CB 4.39Å; F62-I73 HydrophobicContact CE2-CD1 3.53Å; F62-I73 HydrophobicContact CE2-CG1 3.66Å; F62-I73 HydrophobicContact CG-CD1 3.97Å; F62-I73 HydrophobicContact CG-CG1 4.45Å; F62-I73 HydrophobicContact CZ-CD1 4.21Å; F62-I73 HydrophobicContact CZ-CG1 3.86Å
63R77.6Confident75.8Confident137 Ų13745.9 Ų45.952%0.51724%0.238SC..Hα-helixtrans-60.9-32176.7-74.4-179.4-179.3-169.41.6113E59 G60 F65 D66E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-N 3.35Å; G60-R63 PolarHBondContact O-N 3.05Å; R63-F65 VanDerWaalsContact C-N 3.28Å; R63-F65 PolarHBondContact O-N 3.26Å; R63-D66 VanDerWaalsContact O-O 3.06Å
64A74.1Confident76.8Confident4 Ų443.8 Ų43.83%0.03323%0.229CC..Hα-helixtrans-72.4-23.6176.400000113.1G60 M61 F62 W96 I100G60-A64 WeakPolarHBondContact O-CB 3.5Å; G60-A64 PolarHBondContact O-N 3.37Å; M61-A64 PolarHBondContact O-N 3.37Å; F62-A64 PolarHBondContact O-N 2.84Å; A64-W96 HydrophobicContact CB-CH2 4.5Å; A64-W96 HydrophobicContact CB-CZ2 3.57Å; A64-W96 PolarHBondContact O-NE1 3.17Å; A64-I100 HydrophobicContact CB-CB 4.19Å; A64-I100 HydrophobicContact CB-CD1 4.4Å; A64-I100 HydrophobicContact CB-CG1 3.27Å
65F78Confident77.6Confident18 Ų1845 Ų458%0.07923%0.234CC..Hα-helixtrans-88-36.4173.2-68.2-47.5000113.1F42 M61 F62 R63 K67 I73 A81 W96F42-F65 HydrophobicContact CZ-CD2 4.11Å; F42-F65 HydrophobicContact CZ-CE2 4.2Å; M61-F65 HydrophobicContact CG-CD2 4Å; M61-F65 HydrophobicContact CG-CE2 3.49Å; M61-F65 VanDerWaalsContact CG-CE2 3.49Å; M61-F65 HydrophobicContact CG-CZ 4.34Å; M61-F65 WeakPolarHBondContact O-CD2 3.34Å; M61-F65 PolarHBondContact O-N 3.03Å; M61-F65 HydrophobicContact SD-CE2 4.14Å; F62-F65 PolarHBondContact O-N 3.44Å; R63-F65 VanDerWaalsContact C-N 3.28Å; R63-F65 PolarHBondContact O-N 3.26Å; F65-K67 PolarHBondContact O-N 3.12Å; F65-I73 HydrophobicContact CB-CD1 3.67Å; F65-I73 HydrophobicContact CB-CG1 4.11Å; F65-I73 HydrophobicContact CD2-CD1 4.34Å; F65-I73 HydrophobicContact CG-CD1 4.46Å; F65-A81 HydrophobicContact CD1-CB 3.15Å; F65-A81 HydrophobicContact CD2-CB 4.28Å; F65-A81 VanDerWaalsContact CE1-CA 3.46Å; F65-A81 HydrophobicContact CE1-CB 3.09Å; F65-A81 HydrophobicContact CE2-CB 4.23Å; F65-A81 HydrophobicContact CG-CB 3.78Å; F65-A81 HydrophobicContact CZ-CB 3.66Å; F65-W96 AromaticContact CD1-CE2 3.8Å; F65-W96 HydrophobicContact CD1-CH2 4.35Å; F65-W96 AromaticContact CD1-CZ2 3.42Å; F65-W96 HydrophobicContact CD1-CZ2 3.42Å; F65-W96 VanDerWaalsContact CD1-CZ2 3.42Å; F65-W96 AromaticContact CD1-NE1 3.82Å; F65-W96 HydrophobicContact CD2-CZ2 4.05Å; F65-W96 HydrophobicContact CE1-CD2 4.46Å; F65-W96 AromaticContact CE1-CE2 3.49Å; F65-W96 VanDerWaalsContact CE1-CE2 3.49Å; F65-W96 AromaticContact CE1-CH2 3.57Å; F65-W96 HydrophobicContact CE1-CH2 3.57Å; F65-W96 AromaticContact CE1-CZ2 3Å; F65-W96 HydrophobicContact CE1-CZ2 3Å; F65-W96 HydrophobicContact CE1-CZ3 4.49Å; F65-W96 AromaticContact CE1-NE1 3.91Å; F65-W96 AromaticContact CE2-CH2 3.83Å; F65-W96 HydrophobicContact CE2-CH2 3.83Å; F65-W96 AromaticContact CE2-CZ2 3.72Å; F65-W96 HydrophobicContact CE2-CZ2 3.72Å; F65-W96 AromaticContact CG-CZ2 3.93Å; F65-W96 HydrophobicContact CG-CZ2 3.93Å; F65-W96 AromaticContact CZ-CH2 3.28Å; F65-W96 HydrophobicContact CZ-CH2 3.28Å; F65-W96 AromaticContact CZ-CZ2 3.19Å; F65-W96 HydrophobicContact CZ-CZ2 3.19Å; F65-W96 HydrophobicContact CZ-CZ3 4.29Å
66D82.8Confident78.1Confident11 Ų1150 Ų506%0.05926%0.259CS..  trans-68.191.4172.7179.64000109.9F62 R63 N68 G69 D70 N71F62-D66 HydrophobicContact CD1-CB 4.35Å; F62-D66 HydrophobicContact CE1-CB 4.24Å; F62-D66 WeakPolarHBondContact O-CB 3.21Å; F62-D66 PolarHBondContact O-N 3.37Å; R63-D66 VanDerWaalsContact O-O 3.06Å; D66-N68 PolarHBondContact OD1-N 3.44Å; D66-N68 PolarHBondContact OD1-OD1 3.33Å; D66-G69 VanDerWaalsContact OD1-CA 3.27Å; D66-G69 WeakPolarHBondContact OD1-CA 3.31Å; D66-G69 PolarHBondContact OD1-N 3.11Å; D66-G69 WeakPolarHBondContact OD2-CA 3.49Å; D66-D70 PolarHBondContact OD1-N 3.07Å; D66-D70 PolarHBondContact OD2-N 3.36Å; D66-N71 WeakPolarHBondContact OD2-CA 3.38Å; D66-N71 PolarHBondContact OD2-N 3.49Å
67K74.9Confident78.7Confident145 Ų14545.8 Ų45.863%0.6324%0.239SC*.SBendtrans-79-29.5-179.1-72.1-172.8179.9-179.80111.5F65 E77F65-K67 PolarHBondContact O-N 3.12Å; K67-E77 PolarHBondContact N-OE1 2.97Å
68N79.9Confident79.1Confident83 Ų8346.6 Ų46.644%0.44424%0.242SC..SBendtrans-88.5-13.4-175.373.816000112.5D66 D70 E77D66-N68 PolarHBondContact OD1-N 3.44Å; D66-N68 PolarHBondContact OD1-OD1 3.33Å; N68-D70 VanDerWaalsContact C-N 3.31Å; N68-D70 VanDerWaalsContact CG-CG 3.49Å; N68-D70 VanDerWaalsContact ND2-CG 3.31Å; N68-D70 PolarHBondContact ND2-OD2 2.9Å; N68-D70 WeakPolarHBondContact OD1-CB 3.5Å; N68-D70 PolarHBondContact OD1-N 2.92Å; N68-D70 PolarHBondContact OD1-OD1 2.91Å; N68-D70 PolarHBondContact OD1-OD2 3.32Å; N68-E77 PolarHBondContact N-OE1 3.45Å
69G79.2Confident79.4Confident52 Ų5247.2 Ų47.254%0.53625%0.246SC..  trans73.619.1178.600000113.7D66 N71D66-G69 VanDerWaalsContact OD1-CA 3.27Å; D66-G69 WeakPolarHBondContact OD1-CA 3.31Å; D66-G69 PolarHBondContact OD1-N 3.11Å; D66-G69 WeakPolarHBondContact OD2-CA 3.49Å; G69-N71 PolarHBondContact O-N 3.4Å
70D84.2Confident79.5Confident78 Ų7846 Ų4642%0.41725%0.246SC..SBendtrans-82.61.6-176.676.912.2000113.3D66 N68 T72D66-D70 PolarHBondContact OD1-N 3.07Å; D66-D70 PolarHBondContact OD2-N 3.36Å; N68-D70 VanDerWaalsContact C-N 3.31Å; N68-D70 VanDerWaalsContact CG-CG 3.49Å; N68-D70 VanDerWaalsContact ND2-CG 3.31Å; N68-D70 PolarHBondContact ND2-OD2 2.9Å; N68-D70 WeakPolarHBondContact OD1-CB 3.5Å; N68-D70 PolarHBondContact OD1-N 2.92Å; N68-D70 PolarHBondContact OD1-OD1 2.91Å; N68-D70 PolarHBondContact OD1-OD2 3.32Å; D70-T72 PolarHBondContact O-N 2.89Å; D70-T72 VanDerWaalsContact OD1-CA 3.23Å; D70-T72 WeakPolarHBondContact OD1-CA 3.25Å; D70-T72 VanDerWaalsContact OD1-CB 3.28Å; D70-T72 WeakPolarHBondContact OD1-CB 3.49Å; D70-T72 PolarHBondContact OD1-N 3.12Å; D70-T72 PolarHBondContact OD1-OG1 3.26Å; D70-T72 PolarHBondContact OD2-OG1 3.25Å
71N79.8Confident79.6Confident99 Ų9945.6 Ų45.653%0.52924%0.242SC..SBendtrans62.821.2-175.3-56.2-85.5000113.6F62 D66 G69F62-N71 WeakPolarHBondContact CE1-O 3.34Å; F62-N71 WeakPolarHBondContact CZ-O 3.48Å; D66-N71 WeakPolarHBondContact OD2-CA 3.38Å; D66-N71 PolarHBondContact OD2-N 3.49Å; G69-N71 PolarHBondContact O-N 3.4Å
72T84.9Confident79.6Confident16 Ų1645.6 Ų45.610%0.09824%0.241CC..EExtended strand (participates in β ladder)trans-128.3153.9170.275.30000109.2F38 D70F38-T72 HydrophobicContact CD1-CG2 3.71Å; F38-T72 HydrophobicContact CE1-CG2 3.57Å; F38-T72 HydrophobicContact CG-CG2 4.5Å; F38-T72 HydrophobicContact CZ-CG2 4.27Å; D70-T72 PolarHBondContact O-N 2.89Å; D70-T72 VanDerWaalsContact OD1-CA 3.23Å; D70-T72 WeakPolarHBondContact OD1-CA 3.25Å; D70-T72 VanDerWaalsContact OD1-CB 3.28Å; D70-T72 WeakPolarHBondContact OD1-CB 3.49Å; D70-T72 PolarHBondContact OD1-N 3.12Å; D70-T72 PolarHBondContact OD1-OG1 3.26Å; D70-T72 PolarHBondContact OD2-OG1 3.25Å
73I82.4Confident79.5Confident2 Ų248.6 Ų48.61%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-105.5113.8169.5-68.3169.3000106.5L37 F42 F62 F65 E77L37-I73 HydrophobicContact CB-CB 4.15Å; L37-I73 HydrophobicContact CD2-CB 4.49Å; L37-I73 HydrophobicContact CD2-CD1 4.46Å; L37-I73 PolarHBondContact N-O 3.45Å; L37-I73 PolarHBondContact O-N 3.47Å; F42-I73 HydrophobicContact CD2-CD1 4.38Å; F42-I73 HydrophobicContact CE2-CD1 4.32Å; F62-I73 HydrophobicContact CD2-CD1 3.38Å; F62-I73 HydrophobicContact CD2-CG1 3.97Å; F62-I73 HydrophobicContact CE1-CG1 4.31Å; F62-I73 HydrophobicContact CE2-CB 4.39Å; F62-I73 HydrophobicContact CE2-CD1 3.53Å; F62-I73 HydrophobicContact CE2-CG1 3.66Å; F62-I73 HydrophobicContact CG-CD1 3.97Å; F62-I73 HydrophobicContact CG-CG1 4.45Å; F62-I73 HydrophobicContact CZ-CD1 4.21Å; F62-I73 HydrophobicContact CZ-CG1 3.86Å; F65-I73 HydrophobicContact CB-CD1 3.67Å; F65-I73 HydrophobicContact CB-CG1 4.11Å; F65-I73 HydrophobicContact CD2-CD1 4.34Å; F65-I73 HydrophobicContact CG-CD1 4.46Å; I73-E77 WeakPolarHBondContact CA-OE2 3.24Å; I73-E77 HydrophobicContact CG2-CB 3.82Å
74D84Confident79.3Confident45 Ų4543.3 Ų43.324%0.24124%0.24CC..  trans-76.5172.5173.677.933.3000111.5L76 E77 Y78D74-L76 VanDerWaalsContact C-N 3.29Å; D74-L76 PolarHBondContact O-N 3.18Å; D74-L76 VanDerWaalsContact OD1-CA 3.31Å; D74-L76 WeakPolarHBondContact OD1-CA 3.3Å; D74-L76 VanDerWaalsContact OD1-CB 3.3Å; D74-L76 WeakPolarHBondContact OD1-CB 3.41Å; D74-L76 PolarHBondContact OD1-N 3.33Å; D74-E77 PolarHBondContact N-OE2 3.14Å; D74-E77 PolarHBondContact O-N 3.49Å; D74-E77 PolarHBondContact OD1-N 3.3Å; D74-Y78 WeakPolarHBondContact O-CB 3.29Å; D74-Y78 PolarHBondContact O-N 2.86Å
75F81Confident79.2Confident28 Ų2843.5 Ų43.512%0.12324%0.24CC..Hα-helixtrans-61.6-36.1-179.3178.2-111.1000113.2L21 W24 Y25 F28 Y78 V79L21-F75 HydrophobicContact CD2-CE1 4.12Å; L21-F75 HydrophobicContact CG-CE1 4.13Å; L21-F75 HydrophobicContact CG-CZ 4.11Å; W24-F75 HydrophobicContact CB-CE2 4.24Å; W24-F75 HydrophobicContact CB-CZ 4.44Å; Y25-F75 VanDerWaalsContact CB-CZ 3.45Å; Y25-F75 HydrophobicContact CD2-CB 4.32Å; Y25-F75 AromaticContact CD2-CD1 3.56Å; Y25-F75 HydrophobicContact CD2-CD1 3.56Å; Y25-F75 AromaticContact CD2-CD2 3.68Å; Y25-F75 HydrophobicContact CD2-CD2 3.68Å; Y25-F75 AromaticContact CD2-CE1 3.67Å; Y25-F75 HydrophobicContact CD2-CE1 3.67Å; Y25-F75 AromaticContact CD2-CE2 3.82Å; Y25-F75 HydrophobicContact CD2-CE2 3.82Å; Y25-F75 AromaticContact CD2-CG 3.55Å; Y25-F75 HydrophobicContact CD2-CG 3.55Å; Y25-F75 AromaticContact CD2-CZ 3.81Å; Y25-F75 HydrophobicContact CD2-CZ 3.81Å; Y25-F75 HydrophobicContact CE2-CB 4.4Å; Y25-F75 HydrophobicContact CE2-CD1 4.18Å; Y25-F75 HydrophobicContact CE2-CG 4.09Å; Y25-F75 HydrophobicContact CG-CE1 4.28Å; Y25-F75 HydrophobicContact CG-CE2 4.27Å; Y25-F75 HydrophobicContact CG-CZ 4.13Å; Y25-F75 VanDerWaalsContact N-CE2 3.33Å; F28-F75 HydrophobicContact CB-CD2 4.01Å; F28-F75 HydrophobicContact CB-CE2 4.31Å; F28-F75 HydrophobicContact CD1-CB 4.22Å; F28-F75 AromaticContact CD1-CD2 3.95Å; F28-F75 HydrophobicContact CD1-CD2 3.95Å; F28-F75 HydrophobicContact CE1-CB 4.17Å; F28-F75 AromaticContact CG-CD2 3.98Å; F28-F75 HydrophobicContact CG-CD2 3.98Å; F75-Y78 HydrophobicContact CD2-CD1 4.49Å; F75-Y78 PolarHBondContact O-N 3.01Å; F75-V79 HydrophobicContact CD1-CG2 4.1Å; F75-V79 HydrophobicContact CD2-CG2 4.1Å; F75-V79 HydrophobicContact CE1-CG2 3.58Å; F75-V79 HydrophobicContact CE2-CG2 3.53Å; F75-V79 HydrophobicContact CG-CG2 4.36Å; F75-V79 HydrophobicContact CZ-CG2 3.25Å; F75-V79 WeakPolarHBondContact O-CB 3.47Å; F75-V79 WeakPolarHBondContact O-CG2 3.38Å; F75-V79 PolarHBondContact O-N 3.24Å
76L82.6Confident78.8Confident128 Ų12846 Ų4667%0.6725%0.254SS*.Hα-helixtrans-69.9-39.2-179.7-62.3176.2000111D74 V79 A80D74-L76 VanDerWaalsContact C-N 3.29Å; D74-L76 PolarHBondContact O-N 3.18Å; D74-L76 VanDerWaalsContact OD1-CA 3.31Å; D74-L76 WeakPolarHBondContact OD1-CA 3.3Å; D74-L76 VanDerWaalsContact OD1-CB 3.3Å; D74-L76 WeakPolarHBondContact OD1-CB 3.41Å; D74-L76 PolarHBondContact OD1-N 3.33Å; L76-V79 PolarHBondContact O-N 3.06Å; L76-A80 VanDerWaalsContact O-CB 3.3Å; L76-A80 WeakPolarHBondContact O-CB 3.37Å; L76-A80 PolarHBondContact O-N 2.93Å
77E83Confident78.2Confident12 Ų1248.3 Ų48.36%0.05626%0.262CS..Hα-helixtrans-64.9-42.6173.8-70173.8146.200111.4K67 N68 I73 D74 A80 A81K67-E77 PolarHBondContact N-OE1 2.97Å; N68-E77 PolarHBondContact N-OE1 3.45Å; I73-E77 WeakPolarHBondContact CA-OE2 3.24Å; I73-E77 HydrophobicContact CG2-CB 3.82Å; D74-E77 PolarHBondContact N-OE2 3.14Å; D74-E77 PolarHBondContact O-N 3.49Å; D74-E77 PolarHBondContact OD1-N 3.3Å; E77-A80 PolarHBondContact O-N 3.32Å; E77-A81 VanDerWaalsContact O-CB 3.31Å; E77-A81 WeakPolarHBondContact O-CB 3.48Å; E77-A81 PolarHBondContact O-N 2.84Å
78Y78.1Confident77.9Confident34 Ų3441.9 Ų41.913%0.13324%0.237CC..Hα-helixtrans-60.8-46.6173.2-179.5-100.8000112.2F28 D74 F75 A80 A81 L82 W189F28-Y78 AromaticContact CD2-CD1 3.79Å; F28-Y78 HydrophobicContact CD2-CD1 3.79Å; F28-Y78 AromaticContact CD2-CD2 3.98Å; F28-Y78 HydrophobicContact CD2-CD2 3.98Å; F28-Y78 HydrophobicContact CD2-CE1 4.14Å; F28-Y78 HydrophobicContact CD2-CE2 4.3Å; F28-Y78 AromaticContact CD2-CG 3.71Å; F28-Y78 HydrophobicContact CD2-CG 3.71Å; F28-Y78 HydrophobicContact CE2-CD1 4.4Å; F28-Y78 HydrophobicContact CE2-CD2 4.03Å; F28-Y78 AromaticContact CE2-CG 3.88Å; F28-Y78 HydrophobicContact CE2-CG 3.88Å; F28-Y78 HydrophobicContact CG-CD1 4.41Å; D74-Y78 WeakPolarHBondContact O-CB 3.29Å; D74-Y78 PolarHBondContact O-N 2.86Å; F75-Y78 HydrophobicContact CD2-CD1 4.49Å; F75-Y78 PolarHBondContact O-N 3.01Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; Y78-A80 PolarHBondContact O-N 2.75Å; Y78-A81 VanDerWaalsContact O-CB 3.3Å; Y78-A81 WeakPolarHBondContact O-CB 3.28Å; Y78-A81 PolarHBondContact O-N 2.77Å; Y78-L82 HydrophobicContact CD1-CD1 3.84Å; Y78-L82 HydrophobicContact CD1-CG 4.25Å; Y78-L82 HydrophobicContact CE1-CD1 3.25Å; Y78-L82 HydrophobicContact CE1-CG 3.91Å; Y78-L82 VanDerWaalsContact O-CG 3.3Å; Y78-L82 WeakPolarHBondContact O-CG 3.27Å; Y78-L82 PolarHBondContact O-N 2.82Å; Y78-W189 AromaticContact CE2-CH2 3.83Å; Y78-W189 HydrophobicContact CE2-CH2 3.83Å
79V78.9Confident77.8Confident15 Ų1541.2 Ų41.29%0.09124%0.236CC..Hα-helixtrans-62.9-42.6176170.30000110.8I16 L21 W24 F75 L76 A81 L82 N83I16-V79 HydrophobicContact CD1-CG1 4.11Å; L21-V79 HydrophobicContact CD1-CB 4.39Å; L21-V79 HydrophobicContact CD1-CG1 3.54Å; L21-V79 HydrophobicContact CD1-CG2 3.96Å; L21-V79 HydrophobicContact CG-CG2 4.48Å; W24-V79 HydrophobicContact CE3-CG1 4.22Å; W24-V79 HydrophobicContact CE3-CG2 4.19Å; W24-V79 HydrophobicContact CZ3-CG1 4.12Å; F75-V79 HydrophobicContact CD1-CG2 4.1Å; F75-V79 HydrophobicContact CD2-CG2 4.1Å; F75-V79 HydrophobicContact CE1-CG2 3.58Å; F75-V79 HydrophobicContact CE2-CG2 3.53Å; F75-V79 HydrophobicContact CG-CG2 4.36Å; F75-V79 HydrophobicContact CZ-CG2 3.25Å; F75-V79 WeakPolarHBondContact O-CB 3.47Å; F75-V79 WeakPolarHBondContact O-CG2 3.38Å; F75-V79 PolarHBondContact O-N 3.24Å; L76-V79 PolarHBondContact O-N 3.06Å; V79-A81 VanDerWaalsContact C-N 3.31Å; V79-A81 PolarHBondContact O-N 3.35Å; V79-L82 PolarHBondContact O-N 3.04Å; V79-N83 WeakPolarHBondContact O-CB 3.49Å; V79-N83 PolarHBondContact O-N 3.03Å
80A77.6Confident77.7Confident36 Ų3642 Ų4230%0.29823%0.227SC..Hα-helixtrans-62.3-41.3177.900000111.4L76 E77 Y78 N83 L84L76-A80 VanDerWaalsContact O-CB 3.3Å; L76-A80 WeakPolarHBondContact O-CB 3.37Å; L76-A80 PolarHBondContact O-N 2.93Å; E77-A80 PolarHBondContact O-N 3.32Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; Y78-A80 PolarHBondContact O-N 2.75Å; A80-N83 PolarHBondContact O-N 2.98Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.5Å; A80-L84 PolarHBondContact O-N 3.01Å
81A75.5Confident77.4Confident10 Ų1041.7 Ų41.78%0.08322%0.223CC..Hα-helixtrans-57.6-52.6172.500000111.5F65 E77 Y78 V79 N83 L84 V85F65-A81 HydrophobicContact CD1-CB 3.15Å; F65-A81 HydrophobicContact CD2-CB 4.28Å; F65-A81 VanDerWaalsContact CE1-CA 3.46Å; F65-A81 HydrophobicContact CE1-CB 3.09Å; F65-A81 HydrophobicContact CE2-CB 4.23Å; F65-A81 HydrophobicContact CG-CB 3.78Å; F65-A81 HydrophobicContact CZ-CB 3.66Å; E77-A81 VanDerWaalsContact O-CB 3.31Å; E77-A81 WeakPolarHBondContact O-CB 3.48Å; E77-A81 PolarHBondContact O-N 2.84Å; Y78-A81 VanDerWaalsContact O-CB 3.3Å; Y78-A81 WeakPolarHBondContact O-CB 3.28Å; Y78-A81 PolarHBondContact O-N 2.77Å; V79-A81 VanDerWaalsContact C-N 3.31Å; V79-A81 PolarHBondContact O-N 3.35Å; A81-N83 VanDerWaalsContact C-N 3.35Å; A81-N83 PolarHBondContact O-N 2.96Å; A81-L84 PolarHBondContact O-N 2.99Å; A81-V85 VanDerWaalsContact O-CG2 3.24Å; A81-V85 WeakPolarHBondContact O-CG2 3.23Å; A81-V85 PolarHBondContact O-N 3.14Å
82L73.5Confident77.4Confident4 Ų441.9 Ų41.92%0.02122%0.221CC..Hα-helixtrans-58.8-46.5178.1-71.5-173000111.8W24 Y78 V79 L84 V85 L86 W189 L190W24-L82 HydrophobicContact CB-CD1 4.44Å; W24-L82 HydrophobicContact CD2-CD1 3.48Å; W24-L82 VanDerWaalsContact CD2-CD1 3.48Å; W24-L82 HydrophobicContact CE3-CB 4.2Å; W24-L82 HydrophobicContact CE3-CD1 3.55Å; W24-L82 HydrophobicContact CG-CD1 3.9Å; W24-L82 HydrophobicContact CH2-CB 3.96Å; W24-L82 HydrophobicContact CH2-CD1 4.34Å; W24-L82 HydrophobicContact CZ2-CB 4.5Å; W24-L82 HydrophobicContact CZ2-CD1 4.29Å; W24-L82 HydrophobicContact CZ3-CB 3.77Å; W24-L82 HydrophobicContact CZ3-CD1 3.98Å; Y78-L82 HydrophobicContact CD1-CD1 3.84Å; Y78-L82 HydrophobicContact CD1-CG 4.25Å; Y78-L82 HydrophobicContact CE1-CD1 3.25Å; Y78-L82 HydrophobicContact CE1-CG 3.91Å; Y78-L82 VanDerWaalsContact O-CG 3.3Å; Y78-L82 WeakPolarHBondContact O-CG 3.27Å; Y78-L82 PolarHBondContact O-N 2.82Å; V79-L82 PolarHBondContact O-N 3.04Å; L82-L84 PolarHBondContact O-N 3.39Å; L82-V85 PolarHBondContact O-N 2.85Å; L82-L86 HydrophobicContact CB-CD1 4.39Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.42Å; L82-W189 HydrophobicContact CD2-CZ3 4.13Å; L82-L190 HydrophobicContact CD2-CD1 4.34Å; L82-L190 HydrophobicContact CD2-CD2 3.22Å; L82-L190 HydrophobicContact CD2-CG 4.3Å
83N76.9Confident77Confident64 Ų6442.8 Ų42.834%0.34222%0.224SC..Hα-helixtrans-61.7-45.6-179.8-164.131.6000111.3I16 V79 A80 A81 V85 R87 G88I16-N83 HydrophobicContact CD1-CB 3.56Å; I16-N83 WeakPolarHBondContact CD1-OD1 3.33Å; V79-N83 WeakPolarHBondContact O-CB 3.49Å; V79-N83 PolarHBondContact O-N 3.03Å; A80-N83 PolarHBondContact O-N 2.98Å; A81-N83 VanDerWaalsContact C-N 3.35Å; A81-N83 PolarHBondContact O-N 2.96Å; N83-V85 VanDerWaalsContact C-N 3.34Å; N83-V85 PolarHBondContact O-N 3.33Å; N83-R87 CarbonylContact O-C 3.42Å; N83-R87 WeakPolarHBondContact O-CA 3.46Å; N83-R87 PolarHBondContact O-N 3.32Å; N83-G88 PolarHBondContact O-N 3.15Å
84L74.8Confident76.9Confident26 Ų2643.1 Ų43.114%0.13623%0.225CC..Hα-helixtrans-60.8-43.5177.8177.271.1000111.8A80 A81 L82 G88 H92 K93 W96 M184A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.5Å; A80-L84 PolarHBondContact O-N 3.01Å; A81-L84 PolarHBondContact O-N 2.99Å; L82-L84 PolarHBondContact O-N 3.39Å; L84-G88 WeakPolarHBondContact O-CA 3.29Å; L84-G88 PolarHBondContact O-N 3.5Å; L84-H92 HydrophobicContact CD1-CB 3.6Å; L84-K93 HydrophobicContact CD1-CG 4.42Å; L84-K93 WeakPolarHBondContact O-CE 3.46Å; L84-W96 HydrophobicContact CD1-CB 4.43Å; L84-W96 HydrophobicContact CD2-CB 3.36Å; L84-W96 HydrophobicContact CD2-CD2 3.41Å; L84-W96 VanDerWaalsContact CD2-CD2 3.41Å; L84-W96 HydrophobicContact CD2-CE3 3.94Å; L84-W96 HydrophobicContact CD2-CG 3.11Å; L84-W96 HydrophobicContact CG-CB 4.46Å; L84-M184 HydrophobicContact CD2-CE 4.42Å
85V70.9Confident76.8Confident8 Ų845 Ų455%0.04823%0.232CC..Hα-helixtrans-73.3-44.2-177.3178.90000111.2A81 L82 N83 K93 M184 P186 L190A81-V85 VanDerWaalsContact O-CG2 3.24Å; A81-V85 WeakPolarHBondContact O-CG2 3.23Å; A81-V85 PolarHBondContact O-N 3.14Å; L82-V85 PolarHBondContact O-N 2.85Å; N83-V85 VanDerWaalsContact C-N 3.34Å; N83-V85 PolarHBondContact O-N 3.33Å; V85-K93 WeakPolarHBondContact O-CE 3.41Å; V85-K93 PolarHBondContact O-NZ 3.25Å; V85-K93 VanDerWaalsContact O-NZ 3.15Å; V85-M184 HydrophobicContact CG2-CE 4.46Å; V85-P186 HydrophobicContact CB-CG 4.49Å; V85-P186 HydrophobicContact CG1-CB 3.95Å; V85-P186 HydrophobicContact CG1-CG 3.92Å; V85-P186 HydrophobicContact CG2-CB 4.19Å; V85-P186 HydrophobicContact CG2-CG 3.7Å; V85-L190 HydrophobicContact CB-CD1 3.85Å; V85-L190 HydrophobicContact CG1-CD1 3.38Å
86L69.5Low76.7Confident69 Ų6944.9 Ų44.936%0.36123%0.23SC..Hα-helixtrans-78.1-42.5-175.4-66172.2000113W24 L82 L190W24-L86 HydrophobicContact CH2-CD1 3.97Å; W24-L86 HydrophobicContact CZ2-CD1 3.71Å; L82-L86 HydrophobicContact CB-CD1 4.39Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.42Å; L86-L190 HydrophobicContact CD2-CD1 3.89Å; L86-L190 HydrophobicContact CG-CD1 4.09Å
87R70.2Confident76.5Confident60 Ų6038.9 Ų38.923%0.22620%0.199CC..Hα-helixtrans-128.2-0-169.3-54.9-175.3-175.6-177.46.8113.7A13 G14 E15 E20 N83 T89A13-R87 HydrophobicContact CB-CB 4.19Å; A13-R87 HydrophobicContact CB-CG 3.71Å; G14-R87 PolarHBondContact O-NH1 3.46Å; E15-R87 PolarHBondContact O-NH1 2.82Å; E20-R87 IonicContact OE1-CZ 2.72Å; E20-R87 IonicContact OE1-NH2 2.71Å; E20-R87 PolarHBondContact OE1-NH2 3.31Å; E20-R87 IonicContact OE2-CZ 3.69Å; E20-R87 IonicContact OE2-NH2 3.01Å; E20-R87 PolarHBondContact OE2-NH2 2.97Å; N83-R87 CarbonylContact O-C 3.42Å; N83-R87 WeakPolarHBondContact O-CA 3.46Å; N83-R87 PolarHBondContact O-N 3.32Å; R87-T89 PolarHBondContact O-N 3.45Å
88G69.1Low76.5Confident11 Ų1138.8 Ų38.811%0.11320%0.198CC..  trans-64.5134.9179.300000111.6N83 L84 K93N83-G88 PolarHBondContact O-N 3.15Å; L84-G88 WeakPolarHBondContact O-CA 3.29Å; L84-G88 PolarHBondContact O-N 3.5Å; G88-K93 WeakPolarHBondContact O-CE 3.35Å
89T78.1Confident76.5Confident69 Ų6942 Ų4242%0.42321%0.213SC..  trans-59.4156.7168.261.90000109.9R87 E91 H92 K93R87-T89 PolarHBondContact O-N 3.45Å; T89-E91 PolarHBondContact O-N 3.42Å; T89-H92 PolarHBondContact O-N 3.16Å; T89-H92 VanDerWaalsContact O-N 3.12Å; T89-H92 PolarHBondContact OG1-N 3.4Å; T89-H92 PolarHBondContact OG1-ND1 2.82Å; T89-K93 WeakPolarHBondContact O-CG 3.37Å; T89-K93 PolarHBondContact O-N 2.83Å
90L75.9Confident76.4Confident68 Ų6841.8 Ų41.836%0.35621%0.211SC..Hα-helixtrans-52.2-40.3175.5177.765.3000111.5K93 L94 M177L90-K93 WeakPolarHBondContact O-CB 3.24Å; L90-K93 PolarHBondContact O-N 3.05Å; L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.24Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.38Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.36Å; L90-L94 PolarHBondContact O-N 2.89Å; L90-M177 HydrophobicContact CD1-CE 3.65Å; L90-M177 HydrophobicContact CD2-CE 3.39Å; L90-M177 HydrophobicContact CG-CE 4.17Å
91E78.8Confident76.6Confident71 Ų7140.2 Ų40.233%0.33220%0.198SC..Hα-helixtrans-65.7-43.2179.5-168.9179.8117.400112.9T89 K93 L94 K95 R171T89-E91 PolarHBondContact O-N 3.42Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.31Å; E91-L94 PolarHBondContact O-N 3.35Å; E91-K95 HydrophobicContact CG-CD 4.28Å; E91-K95 WeakPolarHBondContact O-CB 3.48Å; E91-K95 WeakPolarHBondContact O-CG 3.23Å; E91-K95 PolarHBondContact O-N 3.29Å; E91-K95 IonicContact OE1-NZ 3.94Å; E91-K95 PolarHBondContact OE1-NZ 2.77Å; E91-R171 IonicContact OE2-NH2 2.9Å; E91-R171 PolarHBondContact OE2-NH2 3.19Å
92H79.2Confident77Confident103 Ų10340.7 Ų40.748%0.47720%0.199SC..Hα-helixtrans-63.8-39.5175.1-71.8154.9000111.7L84 T89 K95 W96L84-H92 HydrophobicContact CD1-CB 3.6Å; T89-H92 PolarHBondContact O-N 3.16Å; T89-H92 VanDerWaalsContact O-N 3.12Å; T89-H92 PolarHBondContact OG1-N 3.4Å; T89-H92 PolarHBondContact OG1-ND1 2.82Å; H92-K95 PolarHBondContact O-N 3.39Å; H92-W96 WeakPolarHBondContact O-CB 3.42Å; H92-W96 PolarHBondContact O-N 2.87Å
93K77.9Confident77.1Confident36 Ų3646.8 Ų46.816%0.15723%0.225CC..Hα-helixtrans-60.1-51.4175.3-75.1178.5176.7178.70110.9L84 V85 G88 T89 L90 E91 K95 W96 T97 M184L84-K93 HydrophobicContact CD1-CG 4.42Å; L84-K93 WeakPolarHBondContact O-CE 3.46Å; V85-K93 WeakPolarHBondContact O-CE 3.41Å; V85-K93 PolarHBondContact O-NZ 3.25Å; V85-K93 VanDerWaalsContact O-NZ 3.15Å; G88-K93 WeakPolarHBondContact O-CE 3.35Å; T89-K93 WeakPolarHBondContact O-CG 3.37Å; T89-K93 PolarHBondContact O-N 2.83Å; L90-K93 WeakPolarHBondContact O-CB 3.24Å; L90-K93 PolarHBondContact O-N 3.05Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.31Å; K93-K95 PolarHBondContact O-N 3.15Å; K93-W96 PolarHBondContact O-N 2.72Å; K93-W96 VanDerWaalsContact O-N 3.12Å; K93-T97 PolarHBondContact O-N 3.32Å; K93-T97 PolarHBondContact O-OG1 3.4Å; K93-M184 HydrophobicContact CB-CE 4.19Å; K93-M184 HydrophobicContact CB-SD 3.5Å; K93-M184 VanDerWaalsContact CB-SD 3.5Å; K93-M184 HydrophobicContact CG-CE 3.96Å; K93-M184 HydrophobicContact CG-SD 3.93Å; K93-M184 VanDerWaalsContact O-SD 3.35Å
94L80.1Confident77.3Confident8 Ų848.4 Ų48.44%0.04223%0.234CC..Hα-helixtrans-60.9-43177.6-69.8171.1000112.6L90 E91 W96 T97 F98 F166 V167 A170 L180L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.24Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.38Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.36Å; L90-L94 PolarHBondContact O-N 2.89Å; E91-L94 PolarHBondContact O-N 3.35Å; L94-W96 VanDerWaalsContact C-N 3.26Å; L94-W96 PolarHBondContact O-N 2.84Å; L94-T97 PolarHBondContact O-N 3.03Å; L94-F98 WeakPolarHBondContact O-CB 3.36Å; L94-F98 PolarHBondContact O-N 3.18Å; L94-F166 HydrophobicContact CB-CE1 4.46Å; L94-F166 HydrophobicContact CD2-CE1 4.1Å; L94-V167 HydrophobicContact CB-CG2 4.05Å; L94-V167 HydrophobicContact CD1-CG1 4.27Å; L94-A170 HydrophobicContact CD1-CB 4.02Å; L94-A170 HydrophobicContact CD2-CB 3.74Å; L94-L180 HydrophobicContact CD2-CD1 4.24Å
95K82Confident77.6Confident86 Ų8650 Ų5037%0.37426%0.256SS..Hα-helixtrans-59.5-38174.6-79.8172.1172.8165.90112.5E91 H92 K93 F98 K99 L163E91-K95 HydrophobicContact CG-CD 4.28Å; E91-K95 WeakPolarHBondContact O-CB 3.48Å; E91-K95 WeakPolarHBondContact O-CG 3.23Å; E91-K95 PolarHBondContact O-N 3.29Å; E91-K95 IonicContact OE1-NZ 3.94Å; E91-K95 PolarHBondContact OE1-NZ 2.77Å; H92-K95 PolarHBondContact O-N 3.39Å; K93-K95 PolarHBondContact O-N 3.15Å; K95-F98 WeakPolarHBondContact O-CB 3.09Å; K95-K99 PolarHBondContact O-N 2.87Å; K95-L163 HydrophobicContact CB-CD1 4.42Å; K95-L163 HydrophobicContact CG-CD1 3.94Å; K95-L163 HydrophobicContact CG-CD2 4.24Å
96W78.6Confident78.3Confident24 Ų2453.5 Ų53.59%0.09128%0.275CS..Hα-helixtrans-75.6-41.4177.7-175.577.3000112.3M61 A64 F65 L84 H92 K93 L94 F98 K99 I100 M184M61-W96 HydrophobicContact CE-CH2 3.64Å; M61-W96 HydrophobicContact CE-CZ3 3.96Å; M61-W96 HydrophobicContact CG-CH2 4Å; M61-W96 HydrophobicContact SD-CH2 4.39Å; A64-W96 HydrophobicContact CB-CH2 4.5Å; A64-W96 HydrophobicContact CB-CZ2 3.57Å; A64-W96 PolarHBondContact O-NE1 3.17Å; F65-W96 AromaticContact CD1-CE2 3.8Å; F65-W96 HydrophobicContact CD1-CH2 4.35Å; F65-W96 AromaticContact CD1-CZ2 3.42Å; F65-W96 HydrophobicContact CD1-CZ2 3.42Å; F65-W96 VanDerWaalsContact CD1-CZ2 3.42Å; F65-W96 AromaticContact CD1-NE1 3.82Å; F65-W96 HydrophobicContact CD2-CZ2 4.05Å; F65-W96 HydrophobicContact CE1-CD2 4.46Å; F65-W96 AromaticContact CE1-CE2 3.49Å; F65-W96 VanDerWaalsContact CE1-CE2 3.49Å; F65-W96 AromaticContact CE1-CH2 3.57Å; F65-W96 HydrophobicContact CE1-CH2 3.57Å; F65-W96 AromaticContact CE1-CZ2 3Å; F65-W96 HydrophobicContact CE1-CZ2 3Å; F65-W96 HydrophobicContact CE1-CZ3 4.49Å; F65-W96 AromaticContact CE1-NE1 3.91Å; F65-W96 AromaticContact CE2-CH2 3.83Å; F65-W96 HydrophobicContact CE2-CH2 3.83Å; F65-W96 AromaticContact CE2-CZ2 3.72Å; F65-W96 HydrophobicContact CE2-CZ2 3.72Å; F65-W96 AromaticContact CG-CZ2 3.93Å; F65-W96 HydrophobicContact CG-CZ2 3.93Å; F65-W96 AromaticContact CZ-CH2 3.28Å; F65-W96 HydrophobicContact CZ-CH2 3.28Å; F65-W96 AromaticContact CZ-CZ2 3.19Å; F65-W96 HydrophobicContact CZ-CZ2 3.19Å; F65-W96 HydrophobicContact CZ-CZ3 4.29Å; L84-W96 HydrophobicContact CD1-CB 4.43Å; L84-W96 HydrophobicContact CD2-CB 3.36Å; L84-W96 HydrophobicContact CD2-CD2 3.41Å; L84-W96 VanDerWaalsContact CD2-CD2 3.41Å; L84-W96 HydrophobicContact CD2-CE3 3.94Å; L84-W96 HydrophobicContact CD2-CG 3.11Å; L84-W96 HydrophobicContact CG-CB 4.46Å; H92-W96 WeakPolarHBondContact O-CB 3.42Å; H92-W96 PolarHBondContact O-N 2.87Å; K93-W96 PolarHBondContact O-N 2.72Å; K93-W96 VanDerWaalsContact O-N 3.12Å; L94-W96 VanDerWaalsContact C-N 3.26Å; L94-W96 PolarHBondContact O-N 2.84Å; W96-F98 PolarHBondContact O-N 2.75Å; W96-K99 WeakPolarHBondContact O-CA 3.37Å; W96-K99 WeakPolarHBondContact O-CB 3.4Å; W96-K99 PolarHBondContact O-N 3.29Å; W96-I100 HydrophobicContact CD2-CD1 4.02Å; W96-I100 HydrophobicContact CD2-CG1 4.3Å; W96-I100 HydrophobicContact CE3-CD1 3.43Å; W96-I100 VanDerWaalsContact CE3-CD1 3.43Å; W96-I100 HydrophobicContact CE3-CG1 4.21Å; W96-I100 HydrophobicContact CH2-CD1 3.4Å; W96-I100 VanDerWaalsContact CH2-CD1 3.4Å; W96-I100 HydrophobicContact CH2-CG1 4.05Å; W96-I100 HydrophobicContact CZ2-CD1 3.94Å; W96-I100 HydrophobicContact CZ2-CG1 4.09Å; W96-I100 HydrophobicContact CZ3-CD1 3.12Å; W96-I100 HydrophobicContact CZ3-CG1 4.11Å; W96-I100 WeakPolarHBondContact O-CG1 3.28Å; W96-I100 PolarHBondContact O-N 3Å; W96-M184 HydrophobicContact CD2-CE 4.37Å; W96-M184 HydrophobicContact CE3-CE 3.29Å; W96-M184 HydrophobicContact CE3-SD 3.85Å; W96-M184 HydrophobicContact CZ3-CE 3.54Å; W96-M184 HydrophobicContact CZ3-CG 4.44Å; W96-M184 HydrophobicContact CZ3-SD 4.3Å
97T78.5Confident79Confident3 Ų351.9 Ų51.92%0.01828%0.275CS..Hα-helixtrans-55.2-43.9170.6-590000111.2K93 L94 K99 I100 Y101 F166 M184K93-T97 PolarHBondContact O-N 3.32Å; K93-T97 PolarHBondContact O-OG1 3.4Å; L94-T97 PolarHBondContact O-N 3.03Å; T97-K99 VanDerWaalsContact C-N 3.28Å; T97-K99 PolarHBondContact O-N 3.36Å; T97-I100 WeakPolarHBondContact O-CB 3.49Å; T97-I100 PolarHBondContact O-N 3.44Å; T97-Y101 HydrophobicContact CG2-CD1 4.46Å; T97-Y101 HydrophobicContact CG2-CD2 4.02Å; T97-Y101 HydrophobicContact CG2-CE1 3.8Å; T97-Y101 HydrophobicContact CG2-CE2 3.38Å; T97-Y101 WeakPolarHBondContact CG2-OH 3.32Å; T97-Y101 WeakPolarHBondContact O-CD1 3.48Å; T97-Y101 PolarHBondContact O-N 3.35Å; T97-Y101 VanDerWaalsContact O-N 3.11Å; T97-F166 HydrophobicContact CG2-CE1 4.24Å; T97-F166 HydrophobicContact CG2-CZ 3.86Å; T97-M184 VanDerWaalsContact OG1-CG 3.28Å; T97-M184 WeakPolarHBondContact OG1-CG 3.49Å; T97-M184 PolarHBondContact OG1-SD 3.08Å
98F82.7Confident79.8Confident10 Ų1050.4 Ų50.44%0.04427%0.273CS..Hα-helixtrans-55.1-46.3174.8-173.6-87.4000111.5L94 K95 W96 I100 Y101 D102 G107 I109 L161 L163 F166L94-F98 WeakPolarHBondContact O-CB 3.36Å; L94-F98 PolarHBondContact O-N 3.18Å; K95-F98 WeakPolarHBondContact O-CB 3.09Å; W96-F98 PolarHBondContact O-N 2.75Å; F98-I100 VanDerWaalsContact C-N 3.29Å; F98-I100 PolarHBondContact O-N 3Å; F98-Y101 PolarHBondContact O-N 2.91Å; F98-Y101 VanDerWaalsContact O-N 3.08Å; F98-D102 HydrophobicContact CD1-CB 4.42Å; F98-D102 HydrophobicContact CE1-CB 4.16Å; F98-D102 WeakPolarHBondContact O-CB 3.25Å; F98-D102 PolarHBondContact O-N 3.45Å; F98-G107 VanDerWaalsContact CZ-O 3.24Å; F98-G107 WeakPolarHBondContact CZ-O 3.26Å; F98-I109 HydrophobicContact CD2-CD1 3.34Å; F98-I109 HydrophobicContact CD2-CG1 4.01Å; F98-I109 HydrophobicContact CE2-CD1 3.43Å; F98-I109 VanDerWaalsContact CE2-CD1 3.43Å; F98-I109 HydrophobicContact CE2-CG1 3.66Å; F98-I109 HydrophobicContact CG-CD1 4.09Å; F98-I109 HydrophobicContact CZ-CD1 4.22Å; F98-I109 HydrophobicContact CZ-CG1 3.97Å; F98-L161 VanDerWaalsContact CE2-O 3.22Å; F98-L161 WeakPolarHBondContact CE2-O 2.98Å; F98-L161 WeakPolarHBondContact CZ-O 2.92Å; F98-L163 HydrophobicContact CB-CD1 3.6Å; F98-L163 HydrophobicContact CD1-CB 4.3Å; F98-L163 HydrophobicContact CD1-CD1 3.83Å; F98-L163 HydrophobicContact CD2-CB 4.33Å; F98-L163 HydrophobicContact CD2-CD1 3.92Å; F98-L163 HydrophobicContact CE1-CB 4.17Å; F98-L163 VanDerWaalsContact CE2-CA 3.47Å; F98-L163 HydrophobicContact CE2-CB 4.19Å; F98-L163 VanDerWaalsContact CE2-N 3.35Å; F98-L163 HydrophobicContact CG-CB 4.38Å; F98-L163 HydrophobicContact CG-CD1 3.48Å; F98-L163 VanDerWaalsContact CG-CD1 3.48Å; F98-L163 HydrophobicContact CZ-CB 4.12Å; F98-F166 HydrophobicContact CB-CD1 4.17Å; F98-F166 HydrophobicContact CB-CE1 4.34Å; F98-F166 HydrophobicContact CD2-CB 3.7Å; F98-F166 AromaticContact CD2-CD1 3.99Å; F98-F166 HydrophobicContact CD2-CD1 3.99Å; F98-F166 HydrophobicContact CD2-CD2 4.34Å; F98-F166 AromaticContact CD2-CG 3.77Å; F98-F166 HydrophobicContact CD2-CG 3.77Å; F98-F166 HydrophobicContact CE2-CB 4.05Å; F98-F166 HydrophobicContact CE2-CG 4.49Å
99K78.8Confident80.7Confident100 Ų10049.9 Ų49.944%0.43527%0.268SS..Hα-helixtrans-65.6-27.8177-166.2-177.8178.5-163.40113.6K95 W96 T97 Y101K95-K99 PolarHBondContact O-N 2.87Å; W96-K99 WeakPolarHBondContact O-CA 3.37Å; W96-K99 WeakPolarHBondContact O-CB 3.4Å; W96-K99 PolarHBondContact O-N 3.29Å; T97-K99 VanDerWaalsContact C-N 3.28Å; T97-K99 PolarHBondContact O-N 3.36Å; K99-Y101 VanDerWaalsContact C-N 3.32Å
100I76.8Confident81.2Confident11 Ų1148.9 Ų48.96%0.05626%0.26CS..Hα-helixtrans-67.9-38.5172.3-61.7162000110.3A64 W96 T97 F98 I117A64-I100 HydrophobicContact CB-CB 4.19Å; A64-I100 HydrophobicContact CB-CD1 4.4Å; A64-I100 HydrophobicContact CB-CG1 3.27Å; W96-I100 HydrophobicContact CD2-CD1 4.02Å; W96-I100 HydrophobicContact CD2-CG1 4.3Å; W96-I100 HydrophobicContact CE3-CD1 3.43Å; W96-I100 VanDerWaalsContact CE3-CD1 3.43Å; W96-I100 HydrophobicContact CE3-CG1 4.21Å; W96-I100 HydrophobicContact CH2-CD1 3.4Å; W96-I100 VanDerWaalsContact CH2-CD1 3.4Å; W96-I100 HydrophobicContact CH2-CG1 4.05Å; W96-I100 HydrophobicContact CZ2-CD1 3.94Å; W96-I100 HydrophobicContact CZ2-CG1 4.09Å; W96-I100 HydrophobicContact CZ3-CD1 3.12Å; W96-I100 HydrophobicContact CZ3-CG1 4.11Å; W96-I100 WeakPolarHBondContact O-CG1 3.28Å; W96-I100 PolarHBondContact O-N 3Å; T97-I100 WeakPolarHBondContact O-CB 3.49Å; T97-I100 PolarHBondContact O-N 3.44Å; F98-I100 VanDerWaalsContact C-N 3.29Å; F98-I100 PolarHBondContact O-N 3Å; I100-I117 HydrophobicContact CG2-CD1 4.39Å
101Y81Confident81.8Confident3 Ų350.9 Ų50.91%0.01226%0.263CS..Hα-helixtrans-80.6-38.6-173.3-61.9-12000112.4T97 F98 K99 K103 I109 E113 L114 I117 F166 L180 D183T97-Y101 HydrophobicContact CG2-CD1 4.46Å; T97-Y101 HydrophobicContact CG2-CD2 4.02Å; T97-Y101 HydrophobicContact CG2-CE1 3.8Å; T97-Y101 HydrophobicContact CG2-CE2 3.38Å; T97-Y101 WeakPolarHBondContact CG2-OH 3.32Å; T97-Y101 WeakPolarHBondContact O-CD1 3.48Å; T97-Y101 PolarHBondContact O-N 3.35Å; T97-Y101 VanDerWaalsContact O-N 3.11Å; F98-Y101 PolarHBondContact O-N 2.91Å; F98-Y101 VanDerWaalsContact O-N 3.08Å; K99-Y101 VanDerWaalsContact C-N 3.32Å; Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.3Å; Y101-I109 HydrophobicContact CD2-CD1 3.85Å; Y101-I109 HydrophobicContact CG-CD1 4.25Å; Y101-E113 WeakPolarHBondContact O-CB 3.29Å; Y101-L114 HydrophobicContact CD2-CD1 4.39Å; Y101-L114 HydrophobicContact CE2-CD1 4.48Å; Y101-I117 HydrophobicContact CD1-CB 4.02Å; Y101-I117 HydrophobicContact CD1-CD1 3.78Å; Y101-I117 HydrophobicContact CD1-CG1 3.47Å; Y101-I117 VanDerWaalsContact CD1-CG1 3.47Å; Y101-I117 HydrophobicContact CD1-CG2 3.55Å; Y101-I117 HydrophobicContact CE1-CB 4.09Å; Y101-I117 HydrophobicContact CE1-CD1 4.31Å; Y101-I117 HydrophobicContact CE1-CG1 4.02Å; Y101-I117 HydrophobicContact CE1-CG2 3.11Å; Y101-I117 HydrophobicContact CG-CG1 4.12Å; Y101-I117 HydrophobicContact CG-CG2 4.48Å; Y101-F166 AromaticContact CD2-CE2 3.8Å; Y101-F166 HydrophobicContact CD2-CE2 3.8Å; Y101-F166 AromaticContact CD2-CZ 3.84Å; Y101-F166 HydrophobicContact CD2-CZ 3.84Å; Y101-F166 AromaticContact CE2-CE2 3.78Å; Y101-F166 HydrophobicContact CE2-CE2 3.78Å; Y101-F166 AromaticContact CE2-CZ 3.62Å; Y101-F166 HydrophobicContact CE2-CZ 3.62Å; Y101-L180 HydrophobicContact CE2-CD2 3.49Å; Y101-L180 VanDerWaalsContact CE2-CD2 3.49Å; Y101-D183 PolarHBondContact OH-OD2 3.02Å
102D84.6Confident82.2Confident20 Ų2053.1 Ų53.111%0.10728%0.276CS..  trans-70.184.4173-178.912.5000109.7F98 G105 N106 G107 I109F98-D102 HydrophobicContact CD1-CB 4.42Å; F98-D102 HydrophobicContact CE1-CB 4.16Å; F98-D102 WeakPolarHBondContact O-CB 3.25Å; F98-D102 PolarHBondContact O-N 3.45Å; D102-G105 VanDerWaalsContact CG-CA 3.49Å; D102-G105 WeakPolarHBondContact OD1-CA 2.99Å; D102-G105 PolarHBondContact OD1-N 2.98Å; D102-G105 WeakPolarHBondContact OD2-CA 3.46Å; D102-N106 PolarHBondContact OD1-N 3.23Å; D102-G107 VanDerWaalsContact OD2-CA 3.3Å; D102-G107 WeakPolarHBondContact OD2-CA 3.19Å; D102-G107 PolarHBondContact OD2-N 3.35Å; D102-I109 HydrophobicContact CB-CG1 4.4Å
103K75.7Confident82.6Confident132 Ų13248.8 Ų48.857%0.57426%0.256SS*.SBendtrans-77.1-32.8-173.1-178.3179.5178.4178.10110.8Y101 E113Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.3Å; K103-E113 WeakPolarHBondContact CA-OE1 3.49Å; K103-E113 HydrophobicContact CB-CG 4.32Å; K103-E113 WeakPolarHBondContact CB-OE1 3.35Å; K103-E113 PolarHBondContact N-OE1 2.87Å
104D81.1Confident82.9Confident99 Ų9947.1 Ų47.153%0.52925%0.249SC..SBendtrans-85.8-14.2176.776.51.1000113.2N106 E113D104-N106 VanDerWaalsContact C-N 3.3Å; D104-N106 WeakPolarHBondContact OD1-CB 3.14Å; D104-N106 PolarHBondContact OD1-N 2.88Å; D104-N106 PolarHBondContact OD1-ND2 3.44Å; D104-N106 PolarHBondContact OD1-OD1 3.39Å; D104-N106 PolarHBondContact OD2-ND2 3.37Å; D104-E113 PolarHBondContact N-OE1 3.47Å; D104-E113 VanDerWaalsContact N-OE1 3.1Å
105G80.2Confident83.2Confident58 Ų5848.4 Ų48.460%0.59826%0.255SS*.  trans73.921.9176.900000112.9D102 G107D102-G105 VanDerWaalsContact CG-CA 3.49Å; D102-G105 WeakPolarHBondContact OD1-CA 2.99Å; D102-G105 PolarHBondContact OD1-N 2.98Å; D102-G105 WeakPolarHBondContact OD2-CA 3.46Å; G105-G107 PolarHBondContact O-N 2.87Å
106N84.7Confident83.1Confident83 Ų8347.8 Ų47.844%0.44426%0.256SS..SBendtrans-77.4-9.7-177.273.823.9000112.6D102 D104 C108D102-N106 PolarHBondContact OD1-N 3.23Å; D104-N106 VanDerWaalsContact C-N 3.3Å; D104-N106 WeakPolarHBondContact OD1-CB 3.14Å; D104-N106 PolarHBondContact OD1-N 2.88Å; D104-N106 PolarHBondContact OD1-ND2 3.44Å; D104-N106 PolarHBondContact OD1-OD1 3.39Å; D104-N106 PolarHBondContact OD2-ND2 3.37Å; N106-C108 VanDerWaalsContact OD1-CA 3.28Å; N106-C108 WeakPolarHBondContact OD1-CA 3.19Å; N106-C108 VanDerWaalsContact OD1-CB 3.27Å; N106-C108 WeakPolarHBondContact OD1-CB 3.27Å; N106-C108 PolarHBondContact OD1-N 3.44Å; N106-C108 PolarHBondContact OD1-O 2.93Å
107G84.3Confident83.1Confident35 Ų3547.7 Ų47.736%0.36126%0.257SS..SBendtrans88.99.4-178.500000115.2F98 D102 G105F98-G107 VanDerWaalsContact CZ-O 3.24Å; F98-G107 WeakPolarHBondContact CZ-O 3.26Å; D102-G107 VanDerWaalsContact OD2-CA 3.3Å; D102-G107 WeakPolarHBondContact OD2-CA 3.19Å; D102-G107 PolarHBondContact OD2-N 3.35Å; G105-G107 PolarHBondContact O-N 2.87Å
108C88.6Confident83.1Confident28 Ų2847.7 Ų47.719%0.18926%0.257CS..EExtended strand (participates in β ladder)trans-144128-175.5-75.70000110.2N106 Q160 L161N106-C108 VanDerWaalsContact OD1-CA 3.28Å; N106-C108 WeakPolarHBondContact OD1-CA 3.19Å; N106-C108 VanDerWaalsContact OD1-CB 3.27Å; N106-C108 WeakPolarHBondContact OD1-CB 3.27Å; N106-C108 PolarHBondContact OD1-N 3.44Å; N106-C108 PolarHBondContact OD1-O 2.93Å; C108-Q160 HydrophobicContact CB-CB 4.07Å; C108-L161 WeakPolarHBondContact CA-O 3.49Å
109I87.3Confident82.8Confident0 Ų051.3 Ų51.30%028%0.275CS..EExtended strand (participates in β ladder)trans-86.6120.3177.5-57.8158.4000109.5F98 Y101 D102 E113 L114 L161 F166F98-I109 HydrophobicContact CD2-CD1 3.34Å; F98-I109 HydrophobicContact CD2-CG1 4.01Å; F98-I109 HydrophobicContact CE2-CD1 3.43Å; F98-I109 VanDerWaalsContact CE2-CD1 3.43Å; F98-I109 HydrophobicContact CE2-CG1 3.66Å; F98-I109 HydrophobicContact CG-CD1 4.09Å; F98-I109 HydrophobicContact CZ-CD1 4.22Å; F98-I109 HydrophobicContact CZ-CG1 3.97Å; Y101-I109 HydrophobicContact CD2-CD1 3.85Å; Y101-I109 HydrophobicContact CG-CD1 4.25Å; D102-I109 HydrophobicContact CB-CG1 4.4Å; I109-E113 WeakPolarHBondContact CA-OE2 3.44Å; I109-E113 HydrophobicContact CG2-CB 3.97Å; I109-L114 HydrophobicContact CG2-CB 4.02Å; I109-L161 HydrophobicContact CB-CB 4.25Å; I109-L161 PolarHBondContact N-O 3.45Å; I109-L161 PolarHBondContact O-N 3.49Å; I109-F166 HydrophobicContact CD1-CD2 3.93Å; I109-F166 HydrophobicContact CD1-CE2 4.11Å; I109-F166 HydrophobicContact CD1-CG 4.49Å
110D89.4Confident82.5Confident48 Ų4846.9 Ų46.926%0.25726%0.257SS..  trans-85.2171.3174.580.833000113L112 E113 L114D110-L112 VanDerWaalsContact C-N 3.3Å; D110-L112 PolarHBondContact O-N 3.27Å; D110-L112 VanDerWaalsContact OD1-CA 3.32Å; D110-L112 WeakPolarHBondContact OD1-CA 3.38Å; D110-L112 VanDerWaalsContact OD1-CB 3.32Å; D110-L112 WeakPolarHBondContact OD1-CB 3.38Å; D110-L112 PolarHBondContact OD1-N 3.45Å; D110-E113 PolarHBondContact N-OE2 2.84Å; D110-E113 PolarHBondContact O-N 3.04Å; D110-E113 WeakPolarHBondContact OD1-CG 3.42Å; D110-E113 PolarHBondContact OD1-N 3.17Å; D110-L114 PolarHBondContact O-N 2.99Å
111R88.6Confident82.2Confident111 Ų11146.7 Ų46.742%0.41926%0.256SS..Hα-helixtrans-62.1-35-179.9-73.5-178.1178.4-108.7-0.8113.3L115 V146 D147 F150R111-L115 VanDerWaalsContact O-CB 3.26Å; R111-L115 WeakPolarHBondContact O-CB 3.16Å; R111-L115 PolarHBondContact O-N 2.9Å; R111-V146 HydrophobicContact CB-CG1 4.41Å; R111-D147 IonicContact CZ-OD2 2.65Å; R111-D147 IonicContact NH1-OD2 2.95Å; R111-D147 PolarHBondContact NH1-OD2 3.49Å; R111-F150 HydrophobicContact CB-CE2 4.14Å; R111-F150 HydrophobicContact CB-CZ 4.29Å; R111-F150 HydrophobicContact CG-CD1 4.26Å; R111-F150 HydrophobicContact CG-CD2 3.83Å; R111-F150 HydrophobicContact CG-CE1 3.95Å; R111-F150 HydrophobicContact CG-CE2 3.5Å; R111-F150 VanDerWaalsContact CG-CE2 3.5Å; R111-F150 HydrophobicContact CG-CG 4.21Å; R111-F150 HydrophobicContact CG-CZ 3.56Å
112L87.1Confident81.7Confident118 Ų11849.3 Ų49.362%0.61827%0.266SS*.Hα-helixtrans-74.1-41.1-178.9-64.1173.8000110.8D110 L115 N116D110-L112 VanDerWaalsContact C-N 3.3Å; D110-L112 PolarHBondContact O-N 3.27Å; D110-L112 VanDerWaalsContact OD1-CA 3.32Å; D110-L112 WeakPolarHBondContact OD1-CA 3.38Å; D110-L112 VanDerWaalsContact OD1-CB 3.32Å; D110-L112 WeakPolarHBondContact OD1-CB 3.38Å; D110-L112 PolarHBondContact OD1-N 3.45Å; L112-L115 PolarHBondContact O-N 2.97Å; L112-N116 VanDerWaalsContact O-CG 3.22Å; L112-N116 PolarHBondContact O-N 3.32Å; L112-N116 PolarHBondContact O-ND2 3.46Å
113E85.9Confident80.9Confident11 Ų1150.5 Ų50.55%0.05127%0.271CS..Hα-helixtrans-59-51.2173.8-73.1-177.8136.700110.8Y101 K103 D104 I109 D110 L115 N116 I117Y101-E113 WeakPolarHBondContact O-CB 3.29Å; K103-E113 WeakPolarHBondContact CA-OE1 3.49Å; K103-E113 HydrophobicContact CB-CG 4.32Å; K103-E113 WeakPolarHBondContact CB-OE1 3.35Å; K103-E113 PolarHBondContact N-OE1 2.87Å; D104-E113 PolarHBondContact N-OE1 3.47Å; D104-E113 VanDerWaalsContact N-OE1 3.1Å; I109-E113 WeakPolarHBondContact CA-OE2 3.44Å; I109-E113 HydrophobicContact CG2-CB 3.97Å; D110-E113 PolarHBondContact N-OE2 2.84Å; D110-E113 PolarHBondContact O-N 3.04Å; D110-E113 WeakPolarHBondContact OD1-CG 3.42Å; D110-E113 PolarHBondContact OD1-N 3.17Å; E113-L115 VanDerWaalsContact C-N 3.3Å; E113-L115 PolarHBondContact O-N 2.85Å; E113-N116 PolarHBondContact O-N 2.98Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.31Å
114L85.4Confident80.3Confident2 Ų246.6 Ų46.61%0.0126%0.256CS..Hα-helixtrans-62-39177.4-16764.5000112Y101 I109 D110 I117 V118 V146 I149 F150 L161Y101-L114 HydrophobicContact CD2-CD1 4.39Å; Y101-L114 HydrophobicContact CE2-CD1 4.48Å; I109-L114 HydrophobicContact CG2-CB 4.02Å; D110-L114 PolarHBondContact O-N 2.99Å; L114-I117 PolarHBondContact O-N 3.43Å; L114-V118 HydrophobicContact CG-CG2 4.38Å; L114-V118 WeakPolarHBondContact O-CB 3.47Å; L114-V118 VanDerWaalsContact O-CG2 3.25Å; L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 3.43Å; L114-V146 HydrophobicContact CB-CG1 4.48Å; L114-V146 HydrophobicContact CB-CG2 4.33Å; L114-V146 HydrophobicContact CD2-CB 4.48Å; L114-V146 HydrophobicContact CD2-CG1 4.22Å; L114-V146 HydrophobicContact CD2-CG2 4.37Å; L114-V146 HydrophobicContact CG-CG2 4.13Å; L114-I149 HydrophobicContact CD1-CD1 4.42Å; L114-I149 HydrophobicContact CD2-CB 3.81Å; L114-I149 HydrophobicContact CD2-CD1 3.99Å; L114-I149 HydrophobicContact CD2-CG2 3.65Å; L114-I149 HydrophobicContact CG-CD1 4.46Å; L114-F150 HydrophobicContact CB-CE2 4.15Å; L114-F150 HydrophobicContact CD2-CD2 3.87Å; L114-F150 HydrophobicContact CD2-CE2 3.6Å; L114-L161 HydrophobicContact CD2-CD1 4.22Å
115L85.9Confident79.4Confident34 Ų3444 Ų4418%0.17824%0.24CC..Hα-helixtrans-60.5-49.8176.8-174.171.6000111.9R111 L112 E113 I117 V118 E119 P142 E143 V146R111-L115 VanDerWaalsContact O-CB 3.26Å; R111-L115 WeakPolarHBondContact O-CB 3.16Å; R111-L115 PolarHBondContact O-N 2.9Å; L112-L115 PolarHBondContact O-N 2.97Å; E113-L115 VanDerWaalsContact C-N 3.3Å; E113-L115 PolarHBondContact O-N 2.85Å; L115-I117 PolarHBondContact O-N 3.44Å; L115-V118 PolarHBondContact O-N 3.38Å; L115-V118 VanDerWaalsContact O-N 3.14Å; L115-E119 HydrophobicContact CG-CG 4.44Å; L115-E119 WeakPolarHBondContact O-CB 3.3Å; L115-E119 WeakPolarHBondContact O-CG 3.31Å; L115-E119 PolarHBondContact O-N 3.02Å; L115-P142 HydrophobicContact CD1-CB 3.98Å; L115-E143 HydrophobicContact CD1-CG 3.9Å; L115-V146 HydrophobicContact CB-CG2 3.96Å; L115-V146 HydrophobicContact CD1-CG2 3.88Å
116N80.6Confident78.7Confident73 Ų7348.2 Ų48.239%0.3924%0.242SC..Hα-helixtrans-56-40.8179.6-72-45000111.8L112 E113 G120L112-N116 VanDerWaalsContact O-CG 3.22Å; L112-N116 PolarHBondContact O-N 3.32Å; L112-N116 PolarHBondContact O-ND2 3.46Å; E113-N116 PolarHBondContact O-N 2.98Å; N116-G120 PolarHBondContact O-N 3.31Å
117I77.3Confident77.4Confident22 Ų2247.4 Ų47.411%0.11325%0.247CC..Hα-helixtrans-68.6-50.9177.5-60.4-61.9000110.5I100 Y101 E113 L114 L115 E119 G120 I121I100-I117 HydrophobicContact CG2-CD1 4.39Å; Y101-I117 HydrophobicContact CD1-CB 4.02Å; Y101-I117 HydrophobicContact CD1-CD1 3.78Å; Y101-I117 HydrophobicContact CD1-CG1 3.47Å; Y101-I117 VanDerWaalsContact CD1-CG1 3.47Å; Y101-I117 HydrophobicContact CD1-CG2 3.55Å; Y101-I117 HydrophobicContact CE1-CB 4.09Å; Y101-I117 HydrophobicContact CE1-CD1 4.31Å; Y101-I117 HydrophobicContact CE1-CG1 4.02Å; Y101-I117 HydrophobicContact CE1-CG2 3.11Å; Y101-I117 HydrophobicContact CG-CG1 4.12Å; Y101-I117 HydrophobicContact CG-CG2 4.48Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.31Å; L114-I117 PolarHBondContact O-N 3.43Å; L115-I117 PolarHBondContact O-N 3.44Å; I117-E119 PolarHBondContact O-N 2.79Å; I117-G120 CarbonylContact O-C 3.56Å; I117-G120 WeakPolarHBondContact O-CA 3.14Å; I117-G120 PolarHBondContact O-N 2.94Å; I117-I121 HydrophobicContact CG2-CD1 3.94Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.26Å; I117-I121 PolarHBondContact O-N 3.27Å
118V78.8Confident75.9Confident3 Ų350.6 Ų50.62%0.01826%0.263CS..Hα-helixtrans-57.9-41.3-179.21730000110.4L114 L115 I121 Y122 P142 V145 V146 M179L114-V118 HydrophobicContact CG-CG2 4.38Å; L114-V118 WeakPolarHBondContact O-CB 3.47Å; L114-V118 VanDerWaalsContact O-CG2 3.25Å; L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 3.43Å; L115-V118 PolarHBondContact O-N 3.38Å; L115-V118 VanDerWaalsContact O-N 3.14Å; V118-I121 PolarHBondContact O-N 3.39Å; V118-Y122 HydrophobicContact CG1-CD2 3.8Å; V118-Y122 HydrophobicContact CG1-CE2 3.79Å; V118-Y122 WeakPolarHBondContact O-CB 3.26Å; V118-Y122 VanDerWaalsContact O-CD2 3.23Å; V118-Y122 WeakPolarHBondContact O-CD2 3.33Å; V118-Y122 PolarHBondContact O-N 3.47Å; V118-P142 HydrophobicContact CB-CB 4.5Å; V118-P142 HydrophobicContact CG1-CB 3.81Å; V118-V145 HydrophobicContact CG1-CB 3.95Å; V118-V145 HydrophobicContact CG1-CG1 3.79Å; V118-V145 HydrophobicContact CG2-CG1 3.97Å; V118-V146 HydrophobicContact CB-CG2 4.39Å; V118-V146 HydrophobicContact CG2-CG2 4.14Å; V118-M179 HydrophobicContact CG1-CE 4.25Å
119E77.9Confident74.2Confident87 Ų8754.7 Ų54.741%0.40727%0.274SS..Hα-helixtrans-59.6-48.1172.5-72.4-171.8118.800111.8L115 I117 I121 Y122 Q123 P142L115-E119 HydrophobicContact CG-CG 4.44Å; L115-E119 WeakPolarHBondContact O-CB 3.3Å; L115-E119 WeakPolarHBondContact O-CG 3.31Å; L115-E119 PolarHBondContact O-N 3.02Å; I117-E119 PolarHBondContact O-N 2.79Å; E119-I121 VanDerWaalsContact C-N 3.32Å; E119-I121 PolarHBondContact O-N 2.86Å; E119-Y122 PolarHBondContact O-N 3Å; E119-Q123 VanDerWaalsContact O-CG 3.29Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.49Å; E119-P142 HydrophobicContact CG-CB 3.66Å; E119-P142 HydrophobicContact CG-CG 3.88Å
120G71.4Confident72.3Confident6 Ų666.4 Ų66.46%0.06232%0.318CS..Hα-helixtrans-56-42.5174.600000113.4N116 I117 Q123 L124N116-G120 PolarHBondContact O-N 3.31Å; I117-G120 CarbonylContact O-C 3.56Å; I117-G120 WeakPolarHBondContact O-CA 3.14Å; I117-G120 PolarHBondContact O-N 2.94Å; G120-Q123 PolarHBondContact O-N 3.44Å; G120-L124 WeakPolarHBondContact O-CB 3.24Å; G120-L124 PolarHBondContact O-N 3.15Å
121I70.5Confident70.1Confident8 Ų871.5 Ų71.54%0.04134%0.341CS..Hα-helixtrans-64.5-45.8176.1-63.4164.9000111.1Y57 I117 V118 E119 Q123 L124 K125 M179 D183Y57-I121 HydrophobicContact CE2-CG1 4.35Å; I117-I121 HydrophobicContact CG2-CD1 3.94Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.26Å; I117-I121 PolarHBondContact O-N 3.27Å; V118-I121 PolarHBondContact O-N 3.39Å; E119-I121 VanDerWaalsContact C-N 3.32Å; E119-I121 PolarHBondContact O-N 2.86Å; I121-Q123 VanDerWaalsContact C-N 3.28Å; I121-Q123 PolarHBondContact O-N 3.48Å; I121-L124 PolarHBondContact O-N 3.38Å; I121-K125 HydrophobicContact CG2-CD 4.15Å; I121-K125 HydrophobicContact CG2-CG 4.46Å; I121-K125 WeakPolarHBondContact O-CB 3.13Å; I121-K125 WeakPolarHBondContact O-CG 3.2Å; I121-K125 PolarHBondContact O-N 3.3Å; I121-M179 HydrophobicContact CD1-CE 4.12Å; I121-M179 HydrophobicContact CG2-CE 4.08Å; I121-D183 WeakPolarHBondContact CD1-OD1 3.18Å; I121-D183 WeakPolarHBondContact CD1-OD2 3.37Å; I121-D183 WeakPolarHBondContact CG1-OD1 3.27Å
122Y71Confident68.1Low58 Ų5870.1 Ų70.123%0.22734%0.341CS..Hα-helixtrans-62.4-39.4-179.5-94.5-112.3000110.9V118 E119 K125 K126 L140 V145 M179V118-Y122 HydrophobicContact CG1-CD2 3.8Å; V118-Y122 HydrophobicContact CG1-CE2 3.79Å; V118-Y122 WeakPolarHBondContact O-CB 3.26Å; V118-Y122 VanDerWaalsContact O-CD2 3.23Å; V118-Y122 WeakPolarHBondContact O-CD2 3.33Å; V118-Y122 PolarHBondContact O-N 3.47Å; E119-Y122 PolarHBondContact O-N 3Å; Y122-K125 WeakPolarHBondContact O-CB 3.28Å; Y122-K125 PolarHBondContact O-N 3.04Å; Y122-K126 WeakPolarHBondContact O-CB 2.95Å; Y122-K126 PolarHBondContact O-N 3.36Å; Y122-L140 WeakPolarHBondContact CE1-O 3.17Å; Y122-L140 PolarHBondContact OH-O 3.22Å; Y122-V145 HydrophobicContact CE2-CG2 4.12Å; Y122-V145 VanDerWaalsContact OH-CG2 3.23Å; Y122-V145 WeakPolarHBondContact OH-CG2 3.37Å; Y122-M179 HydrophobicContact CD2-CE 4.18Å; Y122-M179 HydrophobicContact CE2-CE 3.77Å
123Q66.4Low65.8Low45 Ų4573.2 Ų73.221%0.2135%0.353CS..Hα-helixtrans-71.8-41.2176.4-64.1-71.116.500112E53 E119 G120 I121 K125 K126 A127E53-Q123 HydrophobicContact CB-CB 4.15Å; E53-Q123 HydrophobicContact CB-CG 4.05Å; E53-Q123 HydrophobicContact CG-CG 4.46Å; E53-Q123 WeakPolarHBondContact OE2-CG 3.34Å; E53-Q123 PolarHBondContact OE2-NE2 3.13Å; E119-Q123 VanDerWaalsContact O-CG 3.29Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.49Å; G120-Q123 PolarHBondContact O-N 3.44Å; I121-Q123 VanDerWaalsContact C-N 3.28Å; I121-Q123 PolarHBondContact O-N 3.48Å; Q123-K125 VanDerWaalsContact C-N 3.29Å; Q123-K125 PolarHBondContact O-N 3.19Å; Q123-K126 CarbonylContact O-C 3.47Å; Q123-K126 WeakPolarHBondContact O-CA 3.44Å; Q123-K126 WeakPolarHBondContact O-CB 3.42Å; Q123-K126 PolarHBondContact O-N 3.04Å; Q123-K126 VanDerWaalsContact OE1-CD 3.27Å; Q123-A127 WeakPolarHBondContact O-CB 3.35Å; Q123-A127 PolarHBondContact O-N 3.5Å
124L63.2Low63.7Low50 Ų5078.4 Ų78.426%0.26239%0.385SS..Hα-helixtrans-60.6-40.1173.2-171.369.8000111.3Y57 G120 I121 K126 A127 C128Y57-L124 HydrophobicContact CD1-CD2 4.19Å; Y57-L124 HydrophobicContact CE1-CD2 3.92Å; G120-L124 WeakPolarHBondContact O-CB 3.24Å; G120-L124 PolarHBondContact O-N 3.15Å; I121-L124 PolarHBondContact O-N 3.38Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 3.32Å; L124-A127 PolarHBondContact O-N 2.82Å; L124-C128 VanDerWaalsContact O-CB 3.3Å; L124-C128 WeakPolarHBondContact O-CB 3.22Å; L124-C128 PolarHBondContact O-N 2.74Å
125K63.8Low61.5Low43 Ų4386.3 Ų86.319%0.18742%0.422CS..Hα-helixtrans-61.4-41.9172.7-79173178.2175.30111.8I121 Y122 Q123 R129 M182I121-K125 HydrophobicContact CG2-CD 4.15Å; I121-K125 HydrophobicContact CG2-CG 4.46Å; I121-K125 WeakPolarHBondContact O-CB 3.13Å; I121-K125 WeakPolarHBondContact O-CG 3.2Å; I121-K125 PolarHBondContact O-N 3.3Å; Y122-K125 WeakPolarHBondContact O-CB 3.28Å; Y122-K125 PolarHBondContact O-N 3.04Å; Q123-K125 VanDerWaalsContact C-N 3.29Å; Q123-K125 PolarHBondContact O-N 3.19Å; K125-R129 WeakPolarHBondContact O-CB 3.17Å; K125-R129 PolarHBondContact O-N 2.71Å; K125-M182 HydrophobicContact CD-CE 4.43Å; K125-M182 WeakPolarHBondContact CE-SD 3.32Å; K125-M182 PolarHBondContact NZ-SD 2.81Å
126K64.6Low59.1Low148 Ų14894.7 Ų94.764%0.64346%0.46SS*.Hα-helixtrans-66.4-37.8177.9-169.4-173.9179.3-172.90111.7Y122 Q123 L124Y122-K126 WeakPolarHBondContact O-CB 2.95Å; Y122-K126 PolarHBondContact O-N 3.36Å; Q123-K126 CarbonylContact O-C 3.47Å; Q123-K126 WeakPolarHBondContact O-CA 3.44Å; Q123-K126 WeakPolarHBondContact O-CB 3.42Å; Q123-K126 PolarHBondContact O-N 3.04Å; Q123-K126 VanDerWaalsContact OE1-CD 3.27Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 3.32Å
127A58.5Low57.1Low66 Ų6693.8 Ų93.855%0.54547%0.468SS..Hα-helixtrans-74-42.6177.100000112.6Q123 L124Q123-A127 WeakPolarHBondContact O-CB 3.35Å; Q123-A127 PolarHBondContact O-N 3.5Å; L124-A127 PolarHBondContact O-N 2.82Å
128C51.3Low55.6Low102 Ų102101.8 Ų101.869%0.68951%0.505SS*.Hα-helixtrans-79.6-26-179.1-76.50000113.9L124L124-C128 VanDerWaalsContact O-CB 3.3Å; L124-C128 WeakPolarHBondContact O-CB 3.22Å; L124-C128 PolarHBondContact O-N 2.74Å
129R52.4Low54.6Low113 Ų113108 Ų10843%0.42654%0.537SS..  trans-112.1102.9175.9-74.8-163.6-93-150.3-4.1111.4K125 E131 L132K125-R129 WeakPolarHBondContact O-CB 3.17Å; K125-R129 PolarHBondContact O-N 2.71Å; R129-E131 PolarHBondContact O-N 3.25Å; R129-E131 VanDerWaalsContact O-N 3.14Å; R129-L132 HydrophobicContact CB-CD1 4.34Å; R129-L132 HydrophobicContact CB-CG 4.26Å
130R47.6Very low54.1Low246 Ų246105.8 Ų105.893%0.92853%0.528SS*.THydrogen-bonded Turntrans-62-3.3152.3-71.6-172.9-167.3156.73.3113.1
131E44.9Very low54.6Low155 Ų155108.4 Ų108.472%0.72454%0.543SS*.THydrogen-bonded Turntrans-118.920.2-165.5-71.6-178.5150.100115.7R129 Q133R129-E131 PolarHBondContact O-N 3.25Å; R129-E131 VanDerWaalsContact O-N 3.14Å; E131-Q133 PolarHBondContact O-N 2.94Å
132L45.9Very low55.1Low82 Ų82109.5 Ų109.543%0.42955%0.55SS.*THydrogen-bonded Turntrans-82.160.7165.1-76.8162.2000110.3R129R129-L132 HydrophobicContact CB-CD1 4.34Å; R129-L132 HydrophobicContact CB-CG 4.26Å
133Q38.7Very low55.8Low184 Ų184113.1 Ų113.186%0.8657%0.569SS**THydrogen-bonded Turntrans-108.63.3167.4-80.3-169.6-17.300112.8E131E131-Q133 PolarHBondContact O-N 2.94Å
134T40.8Very low56.7Low120 Ų120115.6 Ų115.674%0.73658%0.581SS**SBendtrans-130.46.8-162.642.90000117.7
135E40.7Very low57.8Low168 Ų168113.3 Ų113.379%0.78557%0.569SS**  trans-120.992.3168.3-64.7-163.4109.100110.7G137E135-G137 PolarHBondContact O-N 2.83Å
136Q33.9Very low58.9Low210 Ų210111.6 Ų111.698%0.98156%0.562SS**  trans-66.258.4168.7-68.5176.8-33.400111.4
137G39.5Very low60Low53 Ų53108.6 Ų108.655%0.54655%0.553SS.*SBendtrans-128.2104.4172.600000108.5E135 L139E135-G137 PolarHBondContact O-N 2.83Å; G137-L139 PolarHBondContact O-N 3.25Å
138Q45.3Very low61.4Low190 Ų190110.9 Ų110.989%0.88855%0.548SS*.  trans-0.489.3168.2-126153.56.300114L140Q138-L140 PolarHBondContact O-N 3.42Å
139L59.1Low63Low133 Ų133106.1 Ų106.170%0.69652%0.515SS*.  trans-65104.6171.7-78.4165.3000106.7G137 T141G137-L139 PolarHBondContact O-N 3.25Å; L139-T141 PolarHBondContact O-N 2.88Å
140L67.4Low64.8Low41 Ų41100.9 Ų100.922%0.21550%0.496CS..  trans-54.5136.3171.6-66168.6000108Y122 Q138 E144 V145 W175Y122-L140 WeakPolarHBondContact CE1-O 3.17Å; Y122-L140 PolarHBondContact OH-O 3.22Å; Q138-L140 PolarHBondContact O-N 3.42Å; L140-E144 VanDerWaalsContact CA-OE2 3.29Å; L140-E144 WeakPolarHBondContact CA-OE2 3.15Å; L140-E144 HydrophobicContact CB-CB 3.92Å; L140-E144 HydrophobicContact CD2-CB 3.98Å; L140-E144 HydrophobicContact CG-CB 4.49Å; L140-V145 HydrophobicContact CB-CG2 3.67Å; L140-V145 HydrophobicContact CD1-CG2 4.29Å; L140-W175 HydrophobicContact CD1-CZ2 4.1Å
141T81.2Confident66.7Low61 Ų6195.9 Ų95.937%0.37449%0.487SS..  trans-59.9155.6170.366.50000109.3L139 E143 E144 V145L139-T141 PolarHBondContact O-N 2.88Å; T141-E143 PolarHBondContact O-N 2.6Å; T141-E144 PolarHBondContact N-OE2 3.05Å; T141-E144 PolarHBondContact O-N 3.35Å; T141-E144 VanDerWaalsContact OG1-CG 3.3Å; T141-E144 WeakPolarHBondContact OG1-CG 3.42Å; T141-E144 PolarHBondContact OG1-N 3.36Å; T141-V145 PolarHBondContact O-N 3.36Å
142P80.6Confident68.7Low31 Ų3191.3 Ų91.320%0.20147%0.467CS..Hα-helixtrans-53.4-36.7174.922.3-34.4000111.4L115 V118 E119 V145 V146L115-P142 HydrophobicContact CD1-CB 3.98Å; V118-P142 HydrophobicContact CB-CB 4.5Å; V118-P142 HydrophobicContact CG1-CB 3.81Å; E119-P142 HydrophobicContact CG-CB 3.66Å; E119-P142 HydrophobicContact CG-CG 3.88Å; P142-V145 PolarHBondContact O-N 2.93Å; P142-V146 VanDerWaalsContact O-CG2 3.24Å; P142-V146 WeakPolarHBondContact O-CG2 3.42Å; P142-V146 PolarHBondContact O-N 3.44Å
143E86.1Confident70.6Confident134 Ų13487.5 Ų87.563%0.62645%0.447SS*.Hα-helixtrans-62.8-45173.9-60.9175158.100112.9L115 T141 V145 V146 D147L115-E143 HydrophobicContact CD1-CG 3.9Å; T141-E143 PolarHBondContact O-N 2.6Å; E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 2.96Å; E143-V146 PolarHBondContact O-N 2.81Å; E143-D147 WeakPolarHBondContact O-CB 3.35Å; E143-D147 PolarHBondContact O-N 3.35Å
144E86.1Confident73Confident98 Ų9879.8 Ų79.846%0.45841%0.412SS..Hα-helixtrans-65.2-34.8176.6-76.5178.3126.500112.2L140 T141 R148L140-E144 VanDerWaalsContact CA-OE2 3.29Å; L140-E144 WeakPolarHBondContact CA-OE2 3.15Å; L140-E144 HydrophobicContact CB-CB 3.92Å; L140-E144 HydrophobicContact CD2-CB 3.98Å; L140-E144 HydrophobicContact CG-CB 4.49Å; T141-E144 PolarHBondContact N-OE2 3.05Å; T141-E144 PolarHBondContact O-N 3.35Å; T141-E144 VanDerWaalsContact OG1-CG 3.3Å; T141-E144 WeakPolarHBondContact OG1-CG 3.42Å; T141-E144 PolarHBondContact OG1-N 3.36Å; E144-R148 WeakPolarHBondContact O-CB 3.28Å; E144-R148 PolarHBondContact O-N 2.91Å
145V85Confident75.1Confident1 Ų180.2 Ų80.21%0.00641%0.405CS..Hα-helixtrans-66.5-46.7174170.60000110.5V118 Y122 L140 T141 P142 E143 R148 I149 W175 M179V118-V145 HydrophobicContact CG1-CB 3.95Å; V118-V145 HydrophobicContact CG1-CG1 3.79Å; V118-V145 HydrophobicContact CG2-CG1 3.97Å; Y122-V145 HydrophobicContact CE2-CG2 4.12Å; Y122-V145 VanDerWaalsContact OH-CG2 3.23Å; Y122-V145 WeakPolarHBondContact OH-CG2 3.37Å; L140-V145 HydrophobicContact CB-CG2 3.67Å; L140-V145 HydrophobicContact CD1-CG2 4.29Å; T141-V145 PolarHBondContact O-N 3.36Å; P142-V145 PolarHBondContact O-N 2.93Å; E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 2.96Å; V145-R148 PolarHBondContact O-N 2.82Å; V145-I149 HydrophobicContact CG1-CD1 3.81Å; V145-I149 HydrophobicContact CG1-CG1 4.44Å; V145-I149 VanDerWaalsContact O-CG1 3.28Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 2.88Å; V145-W175 HydrophobicContact CB-CH2 4.47Å; V145-W175 HydrophobicContact CG1-CH2 3.93Å; V145-W175 HydrophobicContact CG1-CZ2 4.41Å; V145-W175 HydrophobicContact CG2-CZ2 4.43Å; V145-M179 HydrophobicContact CG1-CE 4.16Å
146V87.2Confident77.4Confident8 Ų876.5 Ų76.55%0.04839%0.391CS..Hα-helixtrans-58.1-51176.2168.50000110R111 L114 L115 V118 P142 E143 R148 I149 F150R111-V146 HydrophobicContact CB-CG1 4.41Å; L114-V146 HydrophobicContact CB-CG1 4.48Å; L114-V146 HydrophobicContact CB-CG2 4.33Å; L114-V146 HydrophobicContact CD2-CB 4.48Å; L114-V146 HydrophobicContact CD2-CG1 4.22Å; L114-V146 HydrophobicContact CD2-CG2 4.37Å; L114-V146 HydrophobicContact CG-CG2 4.13Å; L115-V146 HydrophobicContact CB-CG2 3.96Å; L115-V146 HydrophobicContact CD1-CG2 3.88Å; V118-V146 HydrophobicContact CB-CG2 4.39Å; V118-V146 HydrophobicContact CG2-CG2 4.14Å; P142-V146 VanDerWaalsContact O-CG2 3.24Å; P142-V146 WeakPolarHBondContact O-CG2 3.42Å; P142-V146 PolarHBondContact O-N 3.44Å; E143-V146 PolarHBondContact O-N 2.81Å; V146-R148 VanDerWaalsContact C-N 3.26Å; V146-R148 PolarHBondContact O-N 2.83Å; V146-I149 PolarHBondContact O-N 3.35Å; V146-I149 VanDerWaalsContact O-N 3.09Å; V146-F150 HydrophobicContact CG1-CD2 3.84Å; V146-F150 HydrophobicContact CG1-CE2 4.01Å; V146-F150 WeakPolarHBondContact O-CD2 3.36Å; V146-F150 PolarHBondContact O-N 2.75Å
147D88.4Confident79.9Confident84 Ų8469.4 Ų69.445%0.44937%0.374SS..Hα-helixtrans-60.7-39.5-178.7-163-109.1000111.7R111 E143 F150 L151R111-D147 IonicContact CZ-OD2 2.65Å; R111-D147 IonicContact NH1-OD2 2.95Å; R111-D147 PolarHBondContact NH1-OD2 3.49Å; E143-D147 WeakPolarHBondContact O-CB 3.35Å; E143-D147 PolarHBondContact O-N 3.35Å; D147-F150 PolarHBondContact O-N 2.9Å; D147-L151 WeakPolarHBondContact O-CB 3.48Å; D147-L151 PolarHBondContact O-N 3.36Å
148R86.6Confident82.2Confident114 Ų11471 Ų7143%0.4337%0.37SS..Hα-helixtrans-66.8-38.4175.5-171.2171.3-173.91613.4113E144 V145 V146 L152 W175E144-R148 WeakPolarHBondContact O-CB 3.28Å; E144-R148 PolarHBondContact O-N 2.91Å; V145-R148 PolarHBondContact O-N 2.82Å; V146-R148 VanDerWaalsContact C-N 3.26Å; V146-R148 PolarHBondContact O-N 2.83Å; R148-L152 HydrophobicContact CG-CD1 3.89Å; R148-L152 WeakPolarHBondContact O-CB 3.23Å; R148-L152 WeakPolarHBondContact O-CD1 3.4Å; R148-L152 WeakPolarHBondContact O-CG 3.46Å; R148-L152 PolarHBondContact O-N 3Å; R148-L152 VanDerWaalsContact O-N 3.17Å; R148-W175 HydrophobicContact CB-CH2 4.11Å; R148-W175 HydrophobicContact CB-CZ3 4.26Å; R148-W175 HydrophobicContact CG-CE3 4.49Å; R148-W175 HydrophobicContact CG-CH2 4.02Å; R148-W175 HydrophobicContact CG-CZ3 3.86Å
149I86.4Confident84.2Confident3 Ų363 Ų632%0.01534%0.339CS..Hα-helixtrans-65.5-48.1175.7-68.2166.4000109.4L114 V145 V146 L151 L152 V153 L161 W175L114-I149 HydrophobicContact CD1-CD1 4.42Å; L114-I149 HydrophobicContact CD2-CB 3.81Å; L114-I149 HydrophobicContact CD2-CD1 3.99Å; L114-I149 HydrophobicContact CD2-CG2 3.65Å; L114-I149 HydrophobicContact CG-CD1 4.46Å; V145-I149 HydrophobicContact CG1-CD1 3.81Å; V145-I149 HydrophobicContact CG1-CG1 4.44Å; V145-I149 VanDerWaalsContact O-CG1 3.28Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 2.88Å; V146-I149 PolarHBondContact O-N 3.35Å; V146-I149 VanDerWaalsContact O-N 3.09Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 2.99Å; I149-L152 PolarHBondContact O-N 2.91Å; I149-L152 VanDerWaalsContact O-N 3.15Å; I149-V153 HydrophobicContact CG2-CB 4.44Å; I149-V153 HydrophobicContact CG2-CG2 3.93Å; I149-V153 VanDerWaalsContact O-CB 3.25Å; I149-V153 WeakPolarHBondContact O-CB 3.39Å; I149-V153 VanDerWaalsContact O-CG2 3.25Å; I149-V153 WeakPolarHBondContact O-CG2 3.28Å; I149-V153 PolarHBondContact O-N 3.29Å; I149-L161 HydrophobicContact CG2-CD1 3.94Å; I149-W175 HydrophobicContact CG1-CH2 4.19Å; I149-W175 HydrophobicContact CG1-CZ3 3.81Å
150F88.7Confident85.6Confident2 Ų260.8 Ų60.81%0.00933%0.325CS..Hα-helixtrans-56.7-49.2175.4-88.2-88.3000110.9R111 L114 V146 D147 L152 V153 D154 G159 L161R111-F150 HydrophobicContact CB-CE2 4.14Å; R111-F150 HydrophobicContact CB-CZ 4.29Å; R111-F150 HydrophobicContact CG-CD1 4.26Å; R111-F150 HydrophobicContact CG-CD2 3.83Å; R111-F150 HydrophobicContact CG-CE1 3.95Å; R111-F150 HydrophobicContact CG-CE2 3.5Å; R111-F150 VanDerWaalsContact CG-CE2 3.5Å; R111-F150 HydrophobicContact CG-CG 4.21Å; R111-F150 HydrophobicContact CG-CZ 3.56Å; L114-F150 HydrophobicContact CB-CE2 4.15Å; L114-F150 HydrophobicContact CD2-CD2 3.87Å; L114-F150 HydrophobicContact CD2-CE2 3.6Å; V146-F150 HydrophobicContact CG1-CD2 3.84Å; V146-F150 HydrophobicContact CG1-CE2 4.01Å; V146-F150 WeakPolarHBondContact O-CD2 3.36Å; V146-F150 PolarHBondContact O-N 2.75Å; D147-F150 PolarHBondContact O-N 2.9Å; F150-L152 PolarHBondContact O-N 2.64Å; F150-L152 VanDerWaalsContact O-N 3.09Å; F150-V153 PolarHBondContact O-N 3.15Å; F150-D154 HydrophobicContact CD1-CB 4.11Å; F150-D154 WeakPolarHBondContact O-CA 3.45Å; F150-D154 WeakPolarHBondContact O-CB 3.31Å; F150-D154 PolarHBondContact O-N 3.06Å; F150-G159 VanDerWaalsContact CE1-C 3.43Å; F150-G159 VanDerWaalsContact CE1-O 3.24Å; F150-G159 WeakPolarHBondContact CE1-O 3.3Å; F150-L161 HydrophobicContact CD1-CD2 4.04Å; F150-L161 HydrophobicContact CD1-CG 4.21Å; F150-L161 HydrophobicContact CE1-CD1 4.43Å; F150-L161 HydrophobicContact CE1-CD2 4.05Å; F150-L161 HydrophobicContact CE1-CG 3.76Å; F150-L161 HydrophobicContact CE2-CD1 4.3Å; F150-L161 HydrophobicContact CE2-CG 4.46Å; F150-L161 HydrophobicContact CZ-CD1 4.21Å; F150-L161 HydrophobicContact CZ-CG 3.91Å
151L87.7Confident86.7Confident142 Ų14258.9 Ų58.974%0.74332%0.315SS*.Hα-helixtrans-58.9-28.7179.8-170.368.6000114.4D147 I149D147-L151 WeakPolarHBondContact O-CB 3.48Å; D147-L151 PolarHBondContact O-N 3.36Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 2.99Å
152L86.6Confident87.1Confident59 Ų5957.5 Ų57.531%0.30931%0.308SS..Hα-helixtrans-95.2-27.8-176.5-69.3171.5000113.8R148 I149 F150 W175 V176R148-L152 HydrophobicContact CG-CD1 3.89Å; R148-L152 WeakPolarHBondContact O-CB 3.23Å; R148-L152 WeakPolarHBondContact O-CD1 3.4Å; R148-L152 WeakPolarHBondContact O-CG 3.46Å; R148-L152 PolarHBondContact O-N 3Å; R148-L152 VanDerWaalsContact O-N 3.17Å; I149-L152 PolarHBondContact O-N 2.91Å; I149-L152 VanDerWaalsContact O-N 3.15Å; F150-L152 PolarHBondContact O-N 2.64Å; F150-L152 VanDerWaalsContact O-N 3.09Å; L152-W175 HydrophobicContact CD1-CE3 4.23Å; L152-W175 HydrophobicContact CD1-CZ3 4.47Å; L152-V176 HydrophobicContact CB-CG2 4.33Å; L152-V176 HydrophobicContact CD1-CG2 4.04Å
153V87.2Confident87.4Confident1 Ų158.7 Ų58.71%0.00631%0.312CS..Hα-helixtrans-109.9-35.1-169.5-176.20000111.6I149 F150 E155 L161 E165 V176I149-V153 HydrophobicContact CG2-CB 4.44Å; I149-V153 HydrophobicContact CG2-CG2 3.93Å; I149-V153 VanDerWaalsContact O-CB 3.25Å; I149-V153 WeakPolarHBondContact O-CB 3.39Å; I149-V153 VanDerWaalsContact O-CG2 3.25Å; I149-V153 WeakPolarHBondContact O-CG2 3.28Å; I149-V153 PolarHBondContact O-N 3.29Å; F150-V153 PolarHBondContact O-N 3.15Å; V153-E155 PolarHBondContact O-N 2.82Å; V153-L161 HydrophobicContact CB-CD2 3.9Å; V153-L161 HydrophobicContact CG1-CD1 4.3Å; V153-L161 HydrophobicContact CG1-CD2 3.8Å; V153-E165 HydrophobicContact CG1-CB 4.32Å; V153-E165 WeakPolarHBondContact CG1-O 3.22Å; V153-V176 HydrophobicContact CG2-CG1 4.01Å; V153-V176 HydrophobicContact CG2-CG2 4.11Å
154D89.4Confident87.5Confident23 Ų2358.3 Ų58.312%0.12331%0.314CS..  trans-74.887.2177.6-173.3-0.5000109.7F150 N156 G157 D158 G159 L161F150-D154 HydrophobicContact CD1-CB 4.11Å; F150-D154 WeakPolarHBondContact O-CA 3.45Å; F150-D154 WeakPolarHBondContact O-CB 3.31Å; F150-D154 PolarHBondContact O-N 3.06Å; D154-N156 PolarHBondContact OD1-OD1 2.88Å; D154-G157 VanDerWaalsContact OD1-CA 3.26Å; D154-G157 WeakPolarHBondContact OD1-CA 3.39Å; D154-G157 PolarHBondContact OD1-N 2.88Å; D154-G157 WeakPolarHBondContact OD2-CA 3.3Å; D154-D158 PolarHBondContact OD1-N 3.39Å; D154-G159 WeakPolarHBondContact OD2-CA 3.49Å; D154-G159 PolarHBondContact OD2-N 3.08Å; D154-L161 HydrophobicContact CB-CD2 3.75Å
155E85Confident87.7Confident129 Ų12954.6 Ų54.660%0.60330%0.297SS*.SBendtrans-75.3-29.4-179-64.8-163.2143.500112.3V153 R172V153-E155 PolarHBondContact O-N 2.82Å; E155-R172 IonicContact OE1-NH1 2.87Å; E155-R172 PolarHBondContact OE1-NH1 2.84Å
156N88Confident87.7Confident90 Ų9054.6 Ų54.648%0.48130%0.297SS..SBendtrans-89.2-16.8-17774.923.2000112.7D154 D158 E165D154-N156 PolarHBondContact OD1-OD1 2.88Å; N156-D158 VanDerWaalsContact C-N 3.31Å; N156-D158 VanDerWaalsContact CG-CG 3.5Å; N156-D158 PolarHBondContact ND2-OD2 3.24Å; N156-D158 WeakPolarHBondContact OD1-CB 3.3Å; N156-D158 PolarHBondContact OD1-N 3.06Å; N156-D158 PolarHBondContact OD1-OD1 2.65Å; N156-D158 VanDerWaalsContact OD1-OD1 3.1Å; N156-D158 PolarHBondContact OD1-OD2 2.68Å; N156-E165 PolarHBondContact ND2-OE1 3.37Å
157G85.5Confident87.6Confident60 Ų6054.7 Ų54.762%0.61930%0.298SS*.  trans70.322.6178.600000114D154 G159D154-G157 VanDerWaalsContact OD1-CA 3.26Å; D154-G157 WeakPolarHBondContact OD1-CA 3.39Å; D154-G157 PolarHBondContact OD1-N 2.88Å; D154-G157 WeakPolarHBondContact OD2-CA 3.3Å; G157-G159 VanDerWaalsContact C-N 3.25Å
158D89Confident87.6Confident87 Ų8755.5 Ų55.547%0.46530%0.298SS..SBendtrans-80.8-7.1-178.772.710.6000112.8D154 N156 Q160D154-D158 PolarHBondContact OD1-N 3.39Å; N156-D158 VanDerWaalsContact C-N 3.31Å; N156-D158 VanDerWaalsContact CG-CG 3.5Å; N156-D158 PolarHBondContact ND2-OD2 3.24Å; N156-D158 WeakPolarHBondContact OD1-CB 3.3Å; N156-D158 PolarHBondContact OD1-N 3.06Å; N156-D158 PolarHBondContact OD1-OD1 2.65Å; N156-D158 VanDerWaalsContact OD1-OD1 3.1Å; N156-D158 PolarHBondContact OD1-OD2 2.68Å; D158-Q160 VanDerWaalsContact C-N 3.3Å; D158-Q160 WeakPolarHBondContact OD1-CA 3.36Å; D158-Q160 WeakPolarHBondContact OD1-CB 3.21Å; D158-Q160 PolarHBondContact OD1-N 2.95Å
159G86.5Confident87.6Confident23 Ų2350.3 Ų50.324%0.23728%0.28CS..SBendtrans77.416.3-179.100000113.7F150 D154 G157F150-G159 VanDerWaalsContact CE1-C 3.43Å; F150-G159 VanDerWaalsContact CE1-O 3.24Å; F150-G159 WeakPolarHBondContact CE1-O 3.3Å; D154-G159 WeakPolarHBondContact OD2-CA 3.49Å; D154-G159 PolarHBondContact OD2-N 3.08Å; G157-G159 VanDerWaalsContact C-N 3.25Å
160Q89.5Confident87.5Confident86 Ų8650.2 Ų50.240%0.40228%0.28SS..  trans-131.3138.6175.7-59.2-176.45.400109.6C108 D158C108-Q160 HydrophobicContact CB-CB 4.07Å; D158-Q160 VanDerWaalsContact C-N 3.3Å; D158-Q160 WeakPolarHBondContact OD1-CA 3.36Å; D158-Q160 WeakPolarHBondContact OD1-CB 3.21Å; D158-Q160 PolarHBondContact OD1-N 2.95Å
161L89Confident87.3Confident0 Ų056 Ų560%030%0.302CS..EExtended strand (participates in β ladder)trans-98109.1175.5-57.4177.7000109.1F98 C108 I109 L114 I149 F150 V153 D154F98-L161 VanDerWaalsContact CE2-O 3.22Å; F98-L161 WeakPolarHBondContact CE2-O 2.98Å; F98-L161 WeakPolarHBondContact CZ-O 2.92Å; C108-L161 WeakPolarHBondContact CA-O 3.49Å; I109-L161 HydrophobicContact CB-CB 4.25Å; I109-L161 PolarHBondContact N-O 3.45Å; I109-L161 PolarHBondContact O-N 3.49Å; L114-L161 HydrophobicContact CD2-CD1 4.22Å; I149-L161 HydrophobicContact CG2-CD1 3.94Å; F150-L161 HydrophobicContact CD1-CD2 4.04Å; F150-L161 HydrophobicContact CD1-CG 4.21Å; F150-L161 HydrophobicContact CE1-CD1 4.43Å; F150-L161 HydrophobicContact CE1-CD2 4.05Å; F150-L161 HydrophobicContact CE1-CG 3.76Å; F150-L161 HydrophobicContact CE2-CD1 4.3Å; F150-L161 HydrophobicContact CE2-CG 4.46Å; F150-L161 HydrophobicContact CZ-CD1 4.21Å; F150-L161 HydrophobicContact CZ-CG 3.91Å; V153-L161 HydrophobicContact CB-CD2 3.9Å; V153-L161 HydrophobicContact CG1-CD1 4.3Å; V153-L161 HydrophobicContact CG1-CD2 3.8Å; D154-L161 HydrophobicContact CB-CD2 3.75Å
162S90.5Very high87.1Confident33 Ų3358 Ų5823%0.23130%0.3CS..EExtended strand (participates in β ladder)trans-71.1160.1170.469.40000111.3N164 E165 F166S162-N164 PolarHBondContact O-N 2.97Å; S162-E165 WeakPolarHBondContact CB-OE2 3.3Å; S162-E165 PolarHBondContact N-OE2 3.38Å; S162-E165 PolarHBondContact O-N 3.14Å; S162-E165 VanDerWaalsContact O-N 3.17Å; S162-E165 VanDerWaalsContact OG-CD 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.49Å; S162-E165 PolarHBondContact OG-N 2.85Å; S162-E165 PolarHBondContact OG-OE2 3.28Å; S162-F166 WeakPolarHBondContact O-CB 3.44Å; S162-F166 PolarHBondContact O-N 3.01Å
163L87Confident87Confident55 Ų5557.3 Ų57.329%0.28830%0.296SS..Hα-helixtrans-54.2-38.8177.317867.2000112.8K95 F98 V167K95-L163 HydrophobicContact CB-CD1 4.42Å; K95-L163 HydrophobicContact CG-CD1 3.94Å; K95-L163 HydrophobicContact CG-CD2 4.24Å; F98-L163 HydrophobicContact CB-CD1 3.6Å; F98-L163 HydrophobicContact CD1-CB 4.3Å; F98-L163 HydrophobicContact CD1-CD1 3.83Å; F98-L163 HydrophobicContact CD2-CB 4.33Å; F98-L163 HydrophobicContact CD2-CD1 3.92Å; F98-L163 HydrophobicContact CE1-CB 4.17Å; F98-L163 VanDerWaalsContact CE2-CA 3.47Å; F98-L163 HydrophobicContact CE2-CB 4.19Å; F98-L163 VanDerWaalsContact CE2-N 3.35Å; F98-L163 HydrophobicContact CG-CB 4.38Å; F98-L163 HydrophobicContact CG-CD1 3.48Å; F98-L163 VanDerWaalsContact CG-CD1 3.48Å; F98-L163 HydrophobicContact CZ-CB 4.12Å; L163-V167 HydrophobicContact CD1-CG2 4.27Å; L163-V167 WeakPolarHBondContact O-CB 3.16Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 2.92Å; L163-V167 PolarHBondContact O-N 3.27Å
164N88.7Confident86.8Confident126 Ų12665.4 Ų65.467%0.67433%0.331SS*.Hα-helixtrans-69.3-45.3-179.9-71.5-28.9000111.2S162 F166 V167 E168S162-N164 PolarHBondContact O-N 2.97Å; N164-F166 VanDerWaalsContact C-N 3.32Å; N164-F166 PolarHBondContact O-N 2.88Å; N164-V167 PolarHBondContact O-N 2.82Å; N164-E168 WeakPolarHBondContact O-CB 3.46Å; N164-E168 WeakPolarHBondContact O-CG 3.48Å; N164-E168 PolarHBondContact O-N 3.42Å
165E89Confident86.5Confident20 Ų2068 Ų689%0.09334%0.34CS..Hα-helixtrans-60.6-44.7175.4-76.1159.4153.900110.6V153 N156 S162 V167 E168 G169V153-E165 HydrophobicContact CG1-CB 4.32Å; V153-E165 WeakPolarHBondContact CG1-O 3.22Å; N156-E165 PolarHBondContact ND2-OE1 3.37Å; S162-E165 WeakPolarHBondContact CB-OE2 3.3Å; S162-E165 PolarHBondContact N-OE2 3.38Å; S162-E165 PolarHBondContact O-N 3.14Å; S162-E165 VanDerWaalsContact O-N 3.17Å; S162-E165 VanDerWaalsContact OG-CD 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.49Å; S162-E165 PolarHBondContact OG-N 2.85Å; S162-E165 PolarHBondContact OG-OE2 3.28Å; E165-V167 PolarHBondContact O-N 2.94Å; E165-E168 PolarHBondContact O-N 3.07Å; E165-G169 WeakPolarHBondContact O-CA 3.34Å; E165-G169 PolarHBondContact O-N 2.97Å
166F86.2Confident86.3Confident1 Ų162 Ų620%0.00431%0.311CS..Hα-helixtrans-59.7-45.9177.7-173.6-96.7000112.7L94 T97 F98 Y101 I109 S162 N164 A170 L180L94-F166 HydrophobicContact CB-CE1 4.46Å; L94-F166 HydrophobicContact CD2-CE1 4.1Å; T97-F166 HydrophobicContact CG2-CE1 4.24Å; T97-F166 HydrophobicContact CG2-CZ 3.86Å; F98-F166 HydrophobicContact CB-CD1 4.17Å; F98-F166 HydrophobicContact CB-CE1 4.34Å; F98-F166 HydrophobicContact CD2-CB 3.7Å; F98-F166 AromaticContact CD2-CD1 3.99Å; F98-F166 HydrophobicContact CD2-CD1 3.99Å; F98-F166 HydrophobicContact CD2-CD2 4.34Å; F98-F166 AromaticContact CD2-CG 3.77Å; F98-F166 HydrophobicContact CD2-CG 3.77Å; F98-F166 HydrophobicContact CE2-CB 4.05Å; F98-F166 HydrophobicContact CE2-CG 4.49Å; Y101-F166 AromaticContact CD2-CE2 3.8Å; Y101-F166 HydrophobicContact CD2-CE2 3.8Å; Y101-F166 AromaticContact CD2-CZ 3.84Å; Y101-F166 HydrophobicContact CD2-CZ 3.84Å; Y101-F166 AromaticContact CE2-CE2 3.78Å; Y101-F166 HydrophobicContact CE2-CE2 3.78Å; Y101-F166 AromaticContact CE2-CZ 3.62Å; Y101-F166 HydrophobicContact CE2-CZ 3.62Å; I109-F166 HydrophobicContact CD1-CD2 3.93Å; I109-F166 HydrophobicContact CD1-CE2 4.11Å; I109-F166 HydrophobicContact CD1-CG 4.49Å; S162-F166 WeakPolarHBondContact O-CB 3.44Å; S162-F166 PolarHBondContact O-N 3.01Å; N164-F166 VanDerWaalsContact C-N 3.32Å; N164-F166 PolarHBondContact O-N 2.88Å; F166-A170 WeakPolarHBondContact O-CB 3.2Å; F166-A170 PolarHBondContact O-N 3.17Å; F166-L180 HydrophobicContact CD2-CD1 4.49Å; F166-L180 HydrophobicContact CE1-CD1 3.93Å; F166-L180 HydrophobicContact CE2-CD1 3.7Å; F166-L180 HydrophobicContact CE2-CD2 3.72Å; F166-L180 HydrophobicContact CE2-CG 4.35Å; F166-L180 HydrophobicContact CZ-CD1 3.38Å; F166-L180 HydrophobicContact CZ-CD2 3.54Å; F166-L180 HydrophobicContact CZ-CG 4.04Å
167V85.6Confident85.8Confident11 Ų1160 Ų607%0.06730%0.3CS..Hα-helixtrans-68.5-45.8179.2172.30000111.3L94 L163 N164 E165 A170 R171L94-V167 HydrophobicContact CB-CG2 4.05Å; L94-V167 HydrophobicContact CD1-CG1 4.27Å; L163-V167 HydrophobicContact CD1-CG2 4.27Å; L163-V167 WeakPolarHBondContact O-CB 3.16Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 2.92Å; L163-V167 PolarHBondContact O-N 3.27Å; N164-V167 PolarHBondContact O-N 2.82Å; E165-V167 PolarHBondContact O-N 2.94Å; V167-A170 PolarHBondContact O-N 3.23Å; V167-R171 WeakPolarHBondContact O-CG 3.21Å; V167-R171 PolarHBondContact O-N 3.16Å
168E87.1Confident85.3Confident100 Ų10064 Ų6447%0.46730%0.3SS..Hα-helixtrans-69.3-41.9-179.6-73.4-60.6120.200111.7N164 E165 A170 R171 R172N164-E168 WeakPolarHBondContact O-CB 3.46Å; N164-E168 WeakPolarHBondContact O-CG 3.48Å; N164-E168 PolarHBondContact O-N 3.42Å; E165-E168 PolarHBondContact O-N 3.07Å; E168-A170 PolarHBondContact O-N 3.21Å; E168-R171 WeakPolarHBondContact O-CB 3.23Å; E168-R171 PolarHBondContact O-N 3.17Å; E168-R171 VanDerWaalsContact O-N 3.11Å; E168-R171 IonicContact OE1-NH1 2.66Å; E168-R172 VanDerWaalsContact O-CB 3.24Å; E168-R172 WeakPolarHBondContact O-CB 3.34Å; E168-R172 PolarHBondContact O-N 3.16Å
169G86.3Confident84.5Confident5 Ų560.6 Ų60.65%0.05228%0.281CS..Hα-helixtrans-62.6-41174.800000112.4E165 R171 R172 D173E165-G169 WeakPolarHBondContact O-CA 3.34Å; E165-G169 PolarHBondContact O-N 2.97Å; G169-R171 VanDerWaalsContact C-N 3.31Å; G169-R171 PolarHBondContact O-N 3.33Å; G169-R172 PolarHBondContact O-N 3.14Å; G169-D173 PolarHBondContact O-N 3.34Å
170A84.9Confident83.8Confident1 Ų159.8 Ų59.81%0.00827%0.272CS..Hα-helixtrans-66.1-31172.700000113L94 F166 V167 E168 M177 L180L94-A170 HydrophobicContact CD1-CB 4.02Å; L94-A170 HydrophobicContact CD2-CB 3.74Å; F166-A170 WeakPolarHBondContact O-CB 3.2Å; F166-A170 PolarHBondContact O-N 3.17Å; V167-A170 PolarHBondContact O-N 3.23Å; E168-A170 PolarHBondContact O-N 3.21Å; A170-M177 WeakPolarHBondContact O-CB 3.29Å; A170-L180 HydrophobicContact CB-CD1 3.78Å
171R84.1Confident82.6Confident124 Ų12458.8 Ų58.847%0.46827%0.267SS..Hα-helixtrans-75.5-36.9174.4-76.5176.4175.1-173.42.4112.3E91 V167 E168 G169E91-R171 IonicContact OE2-NH2 2.9Å; E91-R171 PolarHBondContact OE2-NH2 3.19Å; V167-R171 WeakPolarHBondContact O-CG 3.21Å; V167-R171 PolarHBondContact O-N 3.16Å; E168-R171 WeakPolarHBondContact O-CB 3.23Å; E168-R171 PolarHBondContact O-N 3.17Å; E168-R171 VanDerWaalsContact O-N 3.11Å; E168-R171 IonicContact OE1-NH1 2.66Å; G169-R171 VanDerWaalsContact C-N 3.31Å; G169-R171 PolarHBondContact O-N 3.33Å
172R84.7Confident81.1Confident185 Ų18562.6 Ų62.670%0.69829%0.286SS*.Hα-helixtrans-74.9-43-176.1-174.5175.7178-179-4.4112E155 E168 G169E155-R172 IonicContact OE1-NH1 2.87Å; E155-R172 PolarHBondContact OE1-NH1 2.84Å; E168-R172 VanDerWaalsContact O-CB 3.24Å; E168-R172 WeakPolarHBondContact O-CB 3.34Å; E168-R172 PolarHBondContact O-N 3.16Å; G169-R172 PolarHBondContact O-N 3.14Å
173D84.4Confident79.4Confident44 Ų4461.3 Ų61.324%0.23528%0.276CS..  trans-110.6116.9-173.1-165.2-67.5000112.7G169 W175 V176 M177G169-D173 PolarHBondContact O-N 3.34Å; D173-W175 VanDerWaalsContact C-N 3.27Å; D173-W175 PolarHBondContact O-N 3.48Å; D173-W175 VanDerWaalsContact OD1-CA 3.31Å; D173-W175 WeakPolarHBondContact OD1-CA 3.4Å; D173-W175 WeakPolarHBondContact OD1-CB 3.48Å; D173-W175 PolarHBondContact OD1-N 2.96Å; D173-V176 HydrophobicContact CB-CB 4.11Å; D173-V176 HydrophobicContact CB-CG2 3.84Å; D173-V176 PolarHBondContact O-N 3.46Å; D173-V176 PolarHBondContact OD1-N 3.49Å; D173-M177 WeakPolarHBondContact O-CB 3.41Å; D173-M177 PolarHBondContact O-N 3.45Å
174K82Confident77.7Confident171 Ų17159.6 Ų59.674%0.74327%0.267SS*.Hα-helixtrans-66.2-26.9-179.9-66.2-173.7-179.9-177.80113.2K178K174-K178 WeakPolarHBondContact O-CB 3.39Å; K174-K178 VanDerWaalsContact O-CG 3.24Å; K174-K178 WeakPolarHBondContact O-CG 3.49Å; K174-K178 PolarHBondContact O-N 2.97Å
175W83.3Confident76Confident78 Ų7857.7 Ų57.730%0.29526%0.257SS..Hα-helixtrans-75-44.5177.2175.790.5000110.5L140 V145 R148 I149 L152 D173 M177 K178 M179L140-W175 HydrophobicContact CD1-CZ2 4.1Å; V145-W175 HydrophobicContact CB-CH2 4.47Å; V145-W175 HydrophobicContact CG1-CH2 3.93Å; V145-W175 HydrophobicContact CG1-CZ2 4.41Å; V145-W175 HydrophobicContact CG2-CZ2 4.43Å; R148-W175 HydrophobicContact CB-CH2 4.11Å; R148-W175 HydrophobicContact CB-CZ3 4.26Å; R148-W175 HydrophobicContact CG-CE3 4.49Å; R148-W175 HydrophobicContact CG-CH2 4.02Å; R148-W175 HydrophobicContact CG-CZ3 3.86Å; I149-W175 HydrophobicContact CG1-CH2 4.19Å; I149-W175 HydrophobicContact CG1-CZ3 3.81Å; L152-W175 HydrophobicContact CD1-CE3 4.23Å; L152-W175 HydrophobicContact CD1-CZ3 4.47Å; D173-W175 VanDerWaalsContact C-N 3.27Å; D173-W175 PolarHBondContact O-N 3.48Å; D173-W175 VanDerWaalsContact OD1-CA 3.31Å; D173-W175 WeakPolarHBondContact OD1-CA 3.4Å; D173-W175 WeakPolarHBondContact OD1-CB 3.48Å; D173-W175 PolarHBondContact OD1-N 2.96Å; W175-M177 VanDerWaalsContact C-N 3.35Å; W175-M177 PolarHBondContact O-N 2.9Å; W175-K178 PolarHBondContact O-N 3.42Å; W175-M179 PolarHBondContact O-N 2.94Å
176V80.3Confident74.2Confident1 Ų157 Ų571%0.00625%0.254CS..Hα-helixtrans-58.8-49.3173.3177.80000109.7L152 V153 D173 K178 M179 L180L152-V176 HydrophobicContact CB-CG2 4.33Å; L152-V176 HydrophobicContact CD1-CG2 4.04Å; V153-V176 HydrophobicContact CG2-CG1 4.01Å; V153-V176 HydrophobicContact CG2-CG2 4.11Å; D173-V176 HydrophobicContact CB-CB 4.11Å; D173-V176 HydrophobicContact CB-CG2 3.84Å; D173-V176 PolarHBondContact O-N 3.46Å; D173-V176 PolarHBondContact OD1-N 3.49Å; V176-K178 VanDerWaalsContact C-N 3.33Å; V176-K178 PolarHBondContact O-N 2.86Å; V176-M179 PolarHBondContact O-N 3.39Å; V176-M179 VanDerWaalsContact O-N 3.11Å; V176-L180 HydrophobicContact CG1-CD1 3.72Å; V176-L180 HydrophobicContact CG1-CG 4.14Å; V176-L180 WeakPolarHBondContact O-CB 3.38Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 2.99Å; V176-L180 PolarHBondContact O-N 3.31Å
177M77.6Confident72.3Confident48 Ų4859.5 Ų59.524%0.23627%0.272CS..Hα-helixtrans-55.3-46.9176.7-164.3178.6-173.100112.4L90 A170 D173 W175 M179 L180 Q181L90-M177 HydrophobicContact CD1-CE 3.65Å; L90-M177 HydrophobicContact CD2-CE 3.39Å; L90-M177 HydrophobicContact CG-CE 4.17Å; A170-M177 WeakPolarHBondContact O-CB 3.29Å; D173-M177 WeakPolarHBondContact O-CB 3.41Å; D173-M177 PolarHBondContact O-N 3.45Å; W175-M177 VanDerWaalsContact C-N 3.35Å; W175-M177 PolarHBondContact O-N 2.9Å; M177-M179 VanDerWaalsContact C-N 3.32Å; M177-M179 PolarHBondContact O-N 3.46Å; M177-L180 PolarHBondContact O-N 3.24Å; M177-Q181 VanDerWaalsContact CE-NE2 3.34Å; M177-Q181 HydrophobicContact CG-CG 4.4Å; M177-Q181 VanDerWaalsContact O-CB 3.26Å; M177-Q181 WeakPolarHBondContact O-CB 3.42Å; M177-Q181 WeakPolarHBondContact O-CG 3.45Å; M177-Q181 PolarHBondContact O-N 2.73Å
178K75.6Confident70.5Confident145 Ų14562.5 Ų62.563%0.6329%0.293SS*.Hα-helixtrans-62.8-40.6178.6-82.7178.9179.4-174.30111.8K174 W175 V176 M182K174-K178 WeakPolarHBondContact O-CB 3.39Å; K174-K178 VanDerWaalsContact O-CG 3.24Å; K174-K178 WeakPolarHBondContact O-CG 3.49Å; K174-K178 PolarHBondContact O-N 2.97Å; W175-K178 PolarHBondContact O-N 3.42Å; V176-K178 VanDerWaalsContact C-N 3.33Å; V176-K178 PolarHBondContact O-N 2.86Å; K178-M182 WeakPolarHBondContact O-CG 3.38Å; K178-M182 PolarHBondContact O-N 3.41Å
179M72.9Confident68.9Low15 Ų1559.3 Ų59.37%0.07428%0.277CS..Hα-helixtrans-65.2-46.9178.8-169.762.9-173.400110.9V118 I121 Y122 V145 W175 V176 M177 Q181 M182V118-M179 HydrophobicContact CG1-CE 4.25Å; I121-M179 HydrophobicContact CD1-CE 4.12Å; I121-M179 HydrophobicContact CG2-CE 4.08Å; Y122-M179 HydrophobicContact CD2-CE 4.18Å; Y122-M179 HydrophobicContact CE2-CE 3.77Å; V145-M179 HydrophobicContact CG1-CE 4.16Å; W175-M179 PolarHBondContact O-N 2.94Å; V176-M179 PolarHBondContact O-N 3.39Å; V176-M179 VanDerWaalsContact O-N 3.11Å; M177-M179 VanDerWaalsContact C-N 3.32Å; M177-M179 PolarHBondContact O-N 3.46Å; M179-Q181 PolarHBondContact O-N 3.11Å; M179-M182 VanDerWaalsContact O-CB 3.25Å; M179-M182 WeakPolarHBondContact O-CB 3.34Å; M179-M182 VanDerWaalsContact O-CG 3.32Å; M179-M182 WeakPolarHBondContact O-CG 3.36Å; M179-M182 PolarHBondContact O-N 3.09Å; M179-M182 VanDerWaalsContact O-N 3.15Å; M179-M182 HydrophobicContact SD-SD 4.42Å
180L70.2Confident67.1Low6 Ų659.8 Ų59.83%0.03128%0.278CS..Hα-helixtrans-68.2-33178.3-65.3179.8000113.8L94 Y101 F166 A170 V176 M177 M182 D183L94-L180 HydrophobicContact CD2-CD1 4.24Å; Y101-L180 HydrophobicContact CE2-CD2 3.49Å; Y101-L180 VanDerWaalsContact CE2-CD2 3.49Å; F166-L180 HydrophobicContact CD2-CD1 4.49Å; F166-L180 HydrophobicContact CE1-CD1 3.93Å; F166-L180 HydrophobicContact CE2-CD1 3.7Å; F166-L180 HydrophobicContact CE2-CD2 3.72Å; F166-L180 HydrophobicContact CE2-CG 4.35Å; F166-L180 HydrophobicContact CZ-CD1 3.38Å; F166-L180 HydrophobicContact CZ-CD2 3.54Å; F166-L180 HydrophobicContact CZ-CG 4.04Å; A170-L180 HydrophobicContact CB-CD1 3.78Å; V176-L180 HydrophobicContact CG1-CD1 3.72Å; V176-L180 HydrophobicContact CG1-CG 4.14Å; V176-L180 WeakPolarHBondContact O-CB 3.38Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 2.99Å; V176-L180 PolarHBondContact O-N 3.31Å; M177-L180 PolarHBondContact O-N 3.24Å; L180-M182 PolarHBondContact O-N 2.78Å; L180-D183 WeakPolarHBondContact O-CB 3.23Å; L180-D183 PolarHBondContact O-N 3.48Å
181Q65.9Low65.4Low66 Ų6661.7 Ų61.731%0.30829%0.294SS..Hα-helixtrans-67.6-19.8174.3-80-179.7-9.400112.5M177 M179 D183 M184M177-Q181 VanDerWaalsContact CE-NE2 3.34Å; M177-Q181 HydrophobicContact CG-CG 4.4Å; M177-Q181 VanDerWaalsContact O-CB 3.26Å; M177-Q181 WeakPolarHBondContact O-CB 3.42Å; M177-Q181 WeakPolarHBondContact O-CG 3.45Å; M177-Q181 PolarHBondContact O-N 2.73Å; M179-Q181 PolarHBondContact O-N 3.11Å; Q181-D183 PolarHBondContact O-N 2.93Å; Q181-M184 PolarHBondContact O-N 2.95Å
182M56.6Low63.7Low80 Ų8060.9 Ų60.939%0.39430%0.296SS..THydrogen-bonded Turntrans-65.4-30.7177.3-51.9-154.666.400111.4K125 K178 M179 L180K125-M182 HydrophobicContact CD-CE 4.43Å; K125-M182 WeakPolarHBondContact CE-SD 3.32Å; K125-M182 PolarHBondContact NZ-SD 2.81Å; K178-M182 WeakPolarHBondContact O-CG 3.38Å; K178-M182 PolarHBondContact O-N 3.41Å; M179-M182 VanDerWaalsContact O-CB 3.25Å; M179-M182 WeakPolarHBondContact O-CB 3.34Å; M179-M182 VanDerWaalsContact O-CG 3.32Å; M179-M182 WeakPolarHBondContact O-CG 3.36Å; M179-M182 PolarHBondContact O-N 3.09Å; M179-M182 VanDerWaalsContact O-N 3.15Å; M179-M182 HydrophobicContact SD-SD 4.42Å; L180-M182 PolarHBondContact O-N 2.78Å
183D55.4Low61.9Low5 Ų554.4 Ų54.43%0.02727%0.273CS..THydrogen-bonded Turntrans-71.5-35.6178.6-65-75.9000113.4Y57 Y101 I121 L180 Q181 N185Y57-D183 WeakPolarHBondContact CE2-OD1 3.43Å; Y57-D183 VanDerWaalsContact OH-CA 3.26Å; Y57-D183 WeakPolarHBondContact OH-CA 3.25Å; Y57-D183 PolarHBondContact OH-O 3.36Å; Y57-D183 PolarHBondContact OH-OD1 3.44Å; Y101-D183 PolarHBondContact OH-OD2 3.02Å; I121-D183 WeakPolarHBondContact CD1-OD1 3.18Å; I121-D183 WeakPolarHBondContact CD1-OD2 3.37Å; I121-D183 WeakPolarHBondContact CG1-OD1 3.27Å; L180-D183 WeakPolarHBondContact O-CB 3.23Å; L180-D183 PolarHBondContact O-N 3.48Å; Q181-D183 PolarHBondContact O-N 2.93Å; D183-N185 VanDerWaalsContact C-N 3.29Å; D183-N185 PolarHBondContact O-N 2.66Å
184M51Low60Low19 Ų1961.4 Ų61.49%0.09430%0.296CS..THydrogen-bonded Turntrans-92.929.8-172.5-71.3-142.769.300114.2L84 V85 K93 W96 T97 Q181 P186L84-M184 HydrophobicContact CD2-CE 4.42Å; V85-M184 HydrophobicContact CG2-CE 4.46Å; K93-M184 HydrophobicContact CB-CE 4.19Å; K93-M184 HydrophobicContact CB-SD 3.5Å; K93-M184 VanDerWaalsContact CB-SD 3.5Å; K93-M184 HydrophobicContact CG-CE 3.96Å; K93-M184 HydrophobicContact CG-SD 3.93Å; K93-M184 VanDerWaalsContact O-SD 3.35Å; W96-M184 HydrophobicContact CD2-CE 4.37Å; W96-M184 HydrophobicContact CE3-CE 3.29Å; W96-M184 HydrophobicContact CE3-SD 3.85Å; W96-M184 HydrophobicContact CZ3-CE 3.54Å; W96-M184 HydrophobicContact CZ3-CG 4.44Å; W96-M184 HydrophobicContact CZ3-SD 4.3Å; T97-M184 VanDerWaalsContact OG1-CG 3.28Å; T97-M184 WeakPolarHBondContact OG1-CG 3.49Å; T97-M184 PolarHBondContact OG1-SD 3.08Å; Q181-M184 PolarHBondContact O-N 2.95Å; M184-P186 WeakPolarHBondContact O-CD 3.45Å
185N53.3Low58.4Low86 Ų8662.5 Ų62.546%0.4630%0.296SS..  trans-97.951.5167.5-143.3-39.6000113.8D183 S187 S188D183-N185 VanDerWaalsContact C-N 3.29Å; D183-N185 PolarHBondContact O-N 2.66Å; N185-S187 PolarHBondContact O-N 3.07Å; N185-S187 VanDerWaalsContact OD1-C 3.26Å; N185-S187 VanDerWaalsContact OD1-CA 3.29Å; N185-S187 WeakPolarHBondContact OD1-CA 3.34Å; N185-S187 WeakPolarHBondContact OD1-CB 3.3Å; N185-S187 PolarHBondContact OD1-N 3.32Å; N185-S187 PolarHBondContact OD1-OG 3.37Å; N185-S188 PolarHBondContact O-N 2.69Å; N185-S188 PolarHBondContact O-OG 3.26Å; N185-S188 PolarHBondContact OD1-N 3.06Å
186P51.1Low56.5Low5 Ų565.2 Ų65.23%0.03231%0.31CS..Hα-helixtrans-60.3-4.8151-4.719.6000110.2M61 V85 M184 S188 W189 L190M61-P186 HydrophobicContact CE-CG 4.17Å; M61-P186 HydrophobicContact SD-CG 4.32Å; V85-P186 HydrophobicContact CB-CG 4.49Å; V85-P186 HydrophobicContact CG1-CB 3.95Å; V85-P186 HydrophobicContact CG1-CG 3.92Å; V85-P186 HydrophobicContact CG2-CB 4.19Å; V85-P186 HydrophobicContact CG2-CG 3.7Å; M184-P186 WeakPolarHBondContact O-CD 3.45Å; P186-S188 PolarHBondContact O-N 2.79Å; P186-W189 HydrophobicContact CB-CB 4.37Å; P186-W189 HydrophobicContact CB-CE3 4.1Å; P186-W189 CarbonylContact O-C 3.56Å; P186-W189 WeakPolarHBondContact O-CA 2.96Å; P186-W189 WeakPolarHBondContact O-CB 3.41Å; P186-W189 PolarHBondContact O-N 3.48Å; P186-W189 VanDerWaalsContact O-N 3.15Å; P186-L190 HydrophobicContact CB-CD1 4.45Å; P186-L190 WeakPolarHBondContact O-CA 3.44Å; P186-L190 WeakPolarHBondContact O-CB 3.48Å; P186-L190 WeakPolarHBondContact O-CD1 3.36Å; P186-L190 WeakPolarHBondContact O-CG 3.34Å; P186-L190 PolarHBondContact O-N 2.98Å
187S45.6Very low54.6Low54 Ų5467.5 Ų67.538%0.37833%0.325SS..Hα-helixtrans-58.5-29164.9-6.50000111.9N185 A191N185-S187 PolarHBondContact O-N 3.07Å; N185-S187 VanDerWaalsContact OD1-C 3.26Å; N185-S187 VanDerWaalsContact OD1-CA 3.29Å; N185-S187 WeakPolarHBondContact OD1-CA 3.34Å; N185-S187 WeakPolarHBondContact OD1-CB 3.3Å; N185-S187 PolarHBondContact OD1-N 3.32Å; N185-S187 PolarHBondContact OD1-OG 3.37Å; S187-A191 WeakPolarHBondContact O-CA 3.35Å; S187-A191 WeakPolarHBondContact O-CB 3.05Å; S187-A191 PolarHBondContact O-N 3.11Å
188S49.1Very low52.9Low75 Ų7569.3 Ų69.352%0.52435%0.348SS..Hα-helixtrans-70.4-45.3169.369.30000111.5N185 P186 L190 A191 Q192N185-S188 PolarHBondContact O-N 2.69Å; N185-S188 PolarHBondContact O-OG 3.26Å; N185-S188 PolarHBondContact OD1-N 3.06Å; P186-S188 PolarHBondContact O-N 2.79Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.41Å; S188-A191 PolarHBondContact O-N 3.48Å; S188-Q192 VanDerWaalsContact O-CB 3.27Å; S188-Q192 WeakPolarHBondContact O-CB 3.26Å; S188-Q192 PolarHBondContact O-N 2.9Å
189W51.6Low51.1Low33 Ų3370.1 Ų70.113%0.12536%0.356CS..Hα-helixtrans-61.4-40.9174.7176.485.1000111.6F46 Y78 L82 P186 Q192 Q193F46-W189 HydrophobicContact CE1-CB 4.12Å; F46-W189 AromaticContact CE1-CD1 3.74Å; F46-W189 AromaticContact CE1-CG 3.99Å; F46-W189 HydrophobicContact CE1-CG 3.99Å; F46-W189 AromaticContact CE2-CD1 3.96Å; F46-W189 AromaticContact CE2-NE1 3.89Å; F46-W189 HydrophobicContact CZ-CB 4.36Å; F46-W189 AromaticContact CZ-CD1 3.63Å; F46-W189 HydrophobicContact CZ-CD2 4.25Å; F46-W189 AromaticContact CZ-CG 3.85Å; F46-W189 HydrophobicContact CZ-CG 3.85Å; F46-W189 AromaticContact CZ-NE1 3.97Å; Y78-W189 AromaticContact CE2-CH2 3.83Å; Y78-W189 HydrophobicContact CE2-CH2 3.83Å; L82-W189 HydrophobicContact CD2-CZ3 4.13Å; P186-W189 HydrophobicContact CB-CB 4.37Å; P186-W189 HydrophobicContact CB-CE3 4.1Å; P186-W189 CarbonylContact O-C 3.56Å; P186-W189 WeakPolarHBondContact O-CA 2.96Å; P186-W189 WeakPolarHBondContact O-CB 3.41Å; P186-W189 PolarHBondContact O-N 3.48Å; P186-W189 VanDerWaalsContact O-N 3.15Å; W189-Q192 PolarHBondContact O-N 3.41Å; W189-Q193 WeakPolarHBondContact O-CG 3.43Å; W189-Q193 PolarHBondContact O-N 3.04Å
190L49.6Very low49.3Very low15 Ų1581.5 Ų81.58%0.07941%0.405CS..Hα-helixtrans-76.2-37.8177.5-76.2162.3000112.5L82 V85 L86 P186 S188 Q192 Q193 R194L82-L190 HydrophobicContact CD2-CD1 4.34Å; L82-L190 HydrophobicContact CD2-CD2 3.22Å; L82-L190 HydrophobicContact CD2-CG 4.3Å; V85-L190 HydrophobicContact CB-CD1 3.85Å; V85-L190 HydrophobicContact CG1-CD1 3.38Å; L86-L190 HydrophobicContact CD2-CD1 3.89Å; L86-L190 HydrophobicContact CG-CD1 4.09Å; P186-L190 HydrophobicContact CB-CD1 4.45Å; P186-L190 WeakPolarHBondContact O-CA 3.44Å; P186-L190 WeakPolarHBondContact O-CB 3.48Å; P186-L190 WeakPolarHBondContact O-CD1 3.36Å; P186-L190 WeakPolarHBondContact O-CG 3.34Å; P186-L190 PolarHBondContact O-N 2.98Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.41Å; L190-Q192 VanDerWaalsContact C-N 3.25Å; L190-Q192 PolarHBondContact O-N 2.96Å; L190-Q193 PolarHBondContact O-N 2.93Å; L190-R194 WeakPolarHBondContact O-CB 3.35Å; L190-R194 WeakPolarHBondContact O-CG 3.37Å; L190-R194 PolarHBondContact O-N 3.29Å
191A48.6Very low48.2Very low40 Ų4085.3 Ų85.333%0.33142%0.424SS..Hα-helixtrans-66.3-33.7172.800000110.6S187 S188 R194 R195S187-A191 WeakPolarHBondContact O-CA 3.35Å; S187-A191 WeakPolarHBondContact O-CB 3.05Å; S187-A191 PolarHBondContact O-N 3.11Å; S188-A191 PolarHBondContact O-N 3.48Å; A191-R194 PolarHBondContact O-N 3.47Å; A191-R195 WeakPolarHBondContact O-CB 3.5Å; A191-R195 WeakPolarHBondContact O-CG 3.48Å; A191-R195 PolarHBondContact O-N 3.44Å
192Q48.6Very low47.3Very low108 Ų10886.3 Ų86.351%0.50543%0.43SS..Hα-helixtrans-71.7-36.2173.6-164.8162.6-10.800111.9S188 W189 L190 R195 K196S188-Q192 VanDerWaalsContact O-CB 3.27Å; S188-Q192 WeakPolarHBondContact O-CB 3.26Å; S188-Q192 PolarHBondContact O-N 2.9Å; W189-Q192 PolarHBondContact O-N 3.41Å; L190-Q192 VanDerWaalsContact C-N 3.25Å; L190-Q192 PolarHBondContact O-N 2.96Å; Q192-R195 PolarHBondContact O-N 3.47Å; Q192-K196 PolarHBondContact O-N 3.13Å; Q192-K196 VanDerWaalsContact O-N 3.11Å
193Q46.7Very low46.8Very low48 Ų4886.6 Ų86.622%0.22443%0.432CS..Hα-helixtrans-64.8-42.7168.7-77.1-66.3-20.500112.4W189 L190 R195 K196 S197W189-Q193 WeakPolarHBondContact O-CG 3.43Å; W189-Q193 PolarHBondContact O-N 3.04Å; L190-Q193 PolarHBondContact O-N 2.93Å; Q193-R195 PolarHBondContact O-N 3.49Å; Q193-K196 PolarHBondContact O-N 3.3Å; Q193-S197 PolarHBondContact O-N 3.48Å; Q193-S197 VanDerWaalsContact O-N 3.15Å; Q193-S197 PolarHBondContact O-OG 2.94Å
194R46Very low46.3Very low191 Ų19191.4 Ų91.472%0.72146%0.456SS*.Hα-helixtrans-62.3-39174.3-73.8-176.6103.2172.26.8112.3L190 A191 S197 A198L190-R194 WeakPolarHBondContact O-CB 3.35Å; L190-R194 WeakPolarHBondContact O-CG 3.37Å; L190-R194 PolarHBondContact O-N 3.29Å; A191-R194 PolarHBondContact O-N 3.47Å; R194-S197 PolarHBondContact O-N 3.15Å; R194-A198 PolarHBondContact O-N 3.36Å
195R46.5Very low46Very low194 Ų19495.9 Ų95.973%0.73248%0.479SS*.Hα-helixtrans-70.4-33.9177.7-82.6-176.3180138.20.4113.7A191 Q192 Q193 A198A191-R195 WeakPolarHBondContact O-CB 3.5Å; A191-R195 WeakPolarHBondContact O-CG 3.48Å; A191-R195 PolarHBondContact O-N 3.44Å; Q192-R195 PolarHBondContact O-N 3.47Å; Q193-R195 PolarHBondContact O-N 3.49Å; R195-A198 PolarHBondContact O-N 3.43Å
196K45.2Very low45.5Very low136 Ų13696.6 Ų96.659%0.59148%0.48SS*.Hα-helixtrans-71.4-33.2174.5-78.9-172.8174.4-174.50112.6Q192 Q193 A198Q192-K196 PolarHBondContact O-N 3.13Å; Q192-K196 VanDerWaalsContact O-N 3.11Å; Q193-K196 PolarHBondContact O-N 3.3Å; K196-A198 VanDerWaalsContact C-N 3.27Å; K196-A198 PolarHBondContact O-N 3.37Å
197S40.6Very low45.1Very low48 Ų48103.1 Ų103.134%0.33651%0.512SS..THydrogen-bonded Turntrans-73.6-10.9172.3-68.10000114.7K27 Q193 R194K27-S197 PolarHBondContact NZ-OG 3.38Å; Q193-S197 PolarHBondContact O-N 3.48Å; Q193-S197 VanDerWaalsContact O-N 3.15Å; Q193-S197 PolarHBondContact O-OG 2.94Å; R194-S197 PolarHBondContact O-N 3.15Å
198A40.2Very low45.1Very low86 Ų86106.9 Ų106.971%0.71152%0.522SS*.THydrogen-bonded Turntrans-91.9-3.4177.100000113.2R194 R195 K196R194-A198 PolarHBondContact O-N 3.36Å; R195-A198 PolarHBondContact O-N 3.43Å; K196-A198 VanDerWaalsContact C-N 3.27Å; K196-A198 PolarHBondContact O-N 3.37Å
199M39.6Very low44.7Very low162 Ų162109.6 Ų109.680%0.79852%0.522SS*.  trans-106.24.6178.2-79.7-153.8-141.800114
200F33.8Very low44.1Very low254 Ų254116.5 Ų116.5100%1.11456%0.558SS**  trans-139.70175-77.3-82.6000111.2

Retrieved 200 of 200 residues in 42.4 ms (Link to these results)

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