A0A077ZKD9_TRITR Loading...

CDP-OH P transf domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKD9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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
1M57.1Low66.7Low191 Ų191155.3 Ų155.394%0.94166%0.659SS**  0-58.30-156.4176.5-8600113.7R3 Y4 F5M1-R3 PolarHBondContact O-N 2.88Å; M1-Y4 PolarHBondContact O-N 3.1Å; M1-Y4 VanDerWaalsContact O-N 3.17Å; M1-F5 HydrophobicContact CG-CD2 3.9Å; M1-F5 HydrophobicContact CG-CE2 3.58Å; M1-F5 WeakPolarHBondContact O-CD2 3.33Å; M1-F5 PolarHBondContact O-N 2.71Å; M1-F5 HydrophobicContact SD-CE2 4.11Å
2R64.7Low66.7Low226 Ų226155.8 Ų155.885%0.85366%0.663SS**Hα-helixtrans-55.9-38-179-71.5-176.9-175.4176.51.3115.7F5 R6R2-F5 PolarHBondContact O-N 3.43Å; R2-R6 PolarHBondContact O-N 3.36Å; R2-R6 VanDerWaalsContact O-N 3.1Å
3R69.5Low66.4Low230 Ų230147.2 Ų147.287%0.86865%0.647SS**Hα-helixtrans-66.5-35.3179.3-140.3176.6-176.2179.1-0112.6M1 S7M1-R3 PolarHBondContact O-N 2.88Å; R3-S7 PolarHBondContact O-N 2.83Å; R3-S7 VanDerWaalsContact O-N 3.09Å
4Y70.7Confident66.1Low169 Ų169146.1 Ų146.166%0.66366%0.658SS**Hα-helixtrans-69.1-47.7175.8-176.2-96.1000111.3M1 R6 S7 V8M1-Y4 PolarHBondContact O-N 3.1Å; M1-Y4 VanDerWaalsContact O-N 3.17Å; Y4-R6 VanDerWaalsContact C-N 3.26Å; Y4-R6 PolarHBondContact O-N 3.32Å; Y4-S7 WeakPolarHBondContact O-CB 3.44Å; Y4-S7 PolarHBondContact O-N 3.4Å; Y4-S7 VanDerWaalsContact O-N 3.15Å; Y4-V8 HydrophobicContact CD1-CG2 4.11Å; Y4-V8 HydrophobicContact CE1-CG2 3.82Å; Y4-V8 WeakPolarHBondContact O-CG2 2.85Å; Y4-V8 PolarHBondContact O-N 3.06Å
5F67.6Low66Low122 Ų122147.8 Ų147.854%0.53567%0.668SS.*Hα-helixtrans-59.1-35.8175-81.7-72.4000113.2M1 R2 K9M1-F5 HydrophobicContact CG-CD2 3.9Å; M1-F5 HydrophobicContact CG-CE2 3.58Å; M1-F5 WeakPolarHBondContact O-CD2 3.33Å; M1-F5 PolarHBondContact O-N 2.71Å; M1-F5 HydrophobicContact SD-CE2 4.11Å; R2-F5 PolarHBondContact O-N 3.43Å; F5-K9 WeakPolarHBondContact O-CG 3.39Å; F5-K9 PolarHBondContact O-N 2.89Å
6R66.3Low66Low173 Ų173143.1 Ų143.165%0.65366%0.658SS**Hα-helixtrans-67.7-44.6175.4-159.9-178.8-70.5-176.8-4.9111.5R2 Y4 V8 K9 E10R2-R6 PolarHBondContact O-N 3.36Å; R2-R6 VanDerWaalsContact O-N 3.1Å; Y4-R6 VanDerWaalsContact C-N 3.26Å; Y4-R6 PolarHBondContact O-N 3.32Å; R6-V8 VanDerWaalsContact C-N 3.33Å; R6-V8 PolarHBondContact O-N 3.48Å; R6-K9 PolarHBondContact O-N 3.04Å; R6-E10 WeakPolarHBondContact O-CB 3.41Å; R6-E10 WeakPolarHBondContact O-CG 3.25Å; R6-E10 PolarHBondContact O-N 3.15Å
7S70.3Confident66.7Low47 Ų47145.8 Ų145.833%0.32967%0.674SS.*Hα-helixtrans-61-37.5174.2169.60000113.1R3 Y4 R11R3-S7 PolarHBondContact O-N 2.83Å; R3-S7 VanDerWaalsContact O-N 3.09Å; Y4-S7 WeakPolarHBondContact O-CB 3.44Å; Y4-S7 PolarHBondContact O-N 3.4Å; Y4-S7 VanDerWaalsContact O-N 3.15Å; S7-R11 WeakPolarHBondContact O-CB 3.41Å; S7-R11 WeakPolarHBondContact O-CG 3.37Å; S7-R11 PolarHBondContact O-N 3.02Å
8V66.2Low67.4Low49 Ų49141.4 Ų141.430%0.29766%0.656SS.*Hα-helixtrans-65.8-47.1174173.10000110.5Y4 R6 E10 R11 F12Y4-V8 HydrophobicContact CD1-CG2 4.11Å; Y4-V8 HydrophobicContact CE1-CG2 3.82Å; Y4-V8 WeakPolarHBondContact O-CG2 2.85Å; Y4-V8 PolarHBondContact O-N 3.06Å; R6-V8 VanDerWaalsContact C-N 3.33Å; R6-V8 PolarHBondContact O-N 3.48Å; V8-E10 VanDerWaalsContact C-N 3.32Å; V8-E10 PolarHBondContact O-N 2.97Å; V8-R11 PolarHBondContact O-N 2.86Å; V8-F12 HydrophobicContact CG1-CD2 3.76Å; V8-F12 HydrophobicContact CG1-CE2 4.18Å; V8-F12 WeakPolarHBondContact O-CD2 3.38Å; V8-F12 PolarHBondContact O-N 2.82Å
9K63.6Low68.4Low146 Ų146137 Ų13764%0.63564%0.643SS**Hα-helixtrans-61-38.2175.7-78.5-175174.3-170.80113.2F5 R6 G13F5-K9 WeakPolarHBondContact O-CG 3.39Å; F5-K9 PolarHBondContact O-N 2.89Å; R6-K9 PolarHBondContact O-N 3.04Å; K9-G13 CarbonylContact O-C 3.56Å; K9-G13 PolarHBondContact O-N 2.91Å
10E69.5Low69.2Low146 Ų146137.5 Ų137.568%0.68265%0.645SS**Hα-helixtrans-68.1-38.6175.4-75.3167.3-171.600111.6R6 V8R6-E10 WeakPolarHBondContact O-CB 3.41Å; R6-E10 WeakPolarHBondContact O-CG 3.25Å; R6-E10 PolarHBondContact O-N 3.15Å; V8-E10 VanDerWaalsContact C-N 3.32Å; V8-E10 PolarHBondContact O-N 2.97Å
11R68.1Low70Confident209 Ų209133.6 Ų133.679%0.78964%0.636SS**Hα-helixtrans-73.6-36.8179.1-84.5-175.3174.1-163.8-1.6114.3S7 V8S7-R11 WeakPolarHBondContact O-CB 3.41Å; S7-R11 WeakPolarHBondContact O-CG 3.37Å; S7-R11 PolarHBondContact O-N 3.02Å; V8-R11 PolarHBondContact O-N 2.86Å
12F66.5Low71.3Confident162 Ų162128.3 Ų128.371%0.71161%0.609SS**Hα-helixtrans-98.12.3-175.7-72.2-77.4000113.8V8V8-F12 HydrophobicContact CG1-CD2 3.76Å; V8-F12 HydrophobicContact CG1-CE2 4.18Å; V8-F12 WeakPolarHBondContact O-CD2 3.38Å; V8-F12 PolarHBondContact O-N 2.82Å
13G63.5Low72.3Confident44 Ų44120.6 Ų120.645%0.45458%0.584SS.*  trans67.7154.5-174.500000112.2K9K9-G13 CarbonylContact O-C 3.56Å; K9-G13 PolarHBondContact O-N 2.91Å
14T62.7Low73Confident132 Ų132115.7 Ų115.781%0.8157%0.569SS**SBendtrans-79.5-6.3170.341.90000112.8S16T14-S16 PolarHBondContact O-N 3.49Å
15E64.4Low73.7Confident171 Ų171115 Ų11580%0.79957%0.566SS**SBendtrans-75111.6178.8-59.2-147.3168.500109.1M17E15-M17 PolarHBondContact O-N 2.94Å
16S65.1Low74.4Confident73 Ų73113 Ų11351%0.5156%0.559SS.*  trans-47.1125.2168.9167.70000109.3T14 L18T14-S16 PolarHBondContact O-N 3.49Å; S16-L18 WeakPolarHBondContact CB-O 3.4Å; S16-L18 PolarHBondContact O-N 3.25Å; S16-L18 PolarHBondContact OG-N 3.04Å; S16-L18 PolarHBondContact OG-O 3.14Å
17M78.3Confident75.1Confident188 Ų188111.1 Ų111.193%0.92656%0.562SS**SBendtrans-58.2-19.9175.6-59.8-151.189.600112.5E15E15-M17 PolarHBondContact O-N 2.94Å
18L78.8Confident75.8Confident68 Ų68114.7 Ų114.736%0.35657%0.574SS.*SBendtrans-103.7131.6174.5-59.6177.6000110.3S16 Q22 L26S16-L18 WeakPolarHBondContact CB-O 3.4Å; S16-L18 PolarHBondContact O-N 3.25Å; S16-L18 PolarHBondContact OG-N 3.04Å; S16-L18 PolarHBondContact OG-O 3.14Å; L18-Q22 HydrophobicContact CB-CB 4.05Å; L18-Q22 HydrophobicContact CD2-CB 4.17Å; L18-L26 HydrophobicContact CD1-CD2 4.15Å
19S86.1Confident76.6Confident57 Ų57116.1 Ų116.140%0.39958%0.577SS.*  trans-60.4156.8164.563.40000110.8A21 Q22 L23S19-A21 PolarHBondContact O-N 3.02Å; S19-A21 VanDerWaalsContact O-N 3.15Å; S19-Q22 WeakPolarHBondContact O-CA 3.18Å; S19-Q22 WeakPolarHBondContact O-CB 3.25Å; S19-Q22 PolarHBondContact O-N 3.29Å; S19-Q22 VanDerWaalsContact OG-CG 3.31Å; S19-Q22 WeakPolarHBondContact OG-CG 3.47Å; S19-Q22 PolarHBondContact OG-N 3.38Å; S19-Q22 PolarHBondContact OG-OE1 3.39Å; S19-L23 PolarHBondContact O-N 2.83Å
20Q85.3Confident77.5Confident147 Ų147117.6 Ų117.669%0.68758%0.583SS**Hα-helixtrans-56.3-33.8176.9-68.2-64-15.300112.6L23 K24Q20-L23 PolarHBondContact O-N 3.22Å; Q20-K24 WeakPolarHBondContact O-CB 3.48Å; Q20-K24 PolarHBondContact O-N 3.39Å
21A86.6Confident78.1Confident55 Ų55115.9 Ų115.946%0.45557%0.571SS.*Hα-helixtrans-67.2-39.8174.800000112.3S19 R25S19-A21 PolarHBondContact O-N 3.02Å; S19-A21 VanDerWaalsContact O-N 3.15Å; A21-R25 WeakPolarHBondContact O-CG 3.44Å; A21-R25 PolarHBondContact O-N 3.47Å
22Q84.5Confident79Confident81 Ų81108.4 Ų108.438%0.37955%0.551SS.*Hα-helixtrans-67.4-41.9174.5-74.3164.1-55.200111.6L18 S19 R25 L26L18-Q22 HydrophobicContact CB-CB 4.05Å; L18-Q22 HydrophobicContact CD2-CB 4.17Å; S19-Q22 WeakPolarHBondContact O-CA 3.18Å; S19-Q22 WeakPolarHBondContact O-CB 3.25Å; S19-Q22 PolarHBondContact O-N 3.29Å; S19-Q22 VanDerWaalsContact OG-CG 3.31Å; S19-Q22 WeakPolarHBondContact OG-CG 3.47Å; S19-Q22 PolarHBondContact OG-N 3.38Å; S19-Q22 PolarHBondContact OG-OE1 3.39Å; Q22-R25 PolarHBondContact O-N 2.92Å; Q22-L26 WeakPolarHBondContact O-CB 3.34Å; Q22-L26 PolarHBondContact O-N 2.95Å
23L84.1Confident79.8Confident64 Ų64102.5 Ų102.534%0.33553%0.532SS..Hα-helixtrans-62.2-43.4176.2-176.862.7000111.4S19 Q20 L26 L27S19-L23 PolarHBondContact O-N 2.83Å; Q20-L23 PolarHBondContact O-N 3.22Å; L23-L26 WeakPolarHBondContact O-CB 3.27Å; L23-L26 PolarHBondContact O-N 3.18Å; L23-L27 HydrophobicContact CG-CD1 4.41Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 2.98Å
24K85Confident80.8Confident127 Ų127104 Ų10455%0.55253%0.527SS*.Hα-helixtrans-60-47174.9-176.9176.7173.1-179.20111.6Q20 L26 L27 E28Q20-K24 WeakPolarHBondContact O-CB 3.48Å; Q20-K24 PolarHBondContact O-N 3.39Å; K24-L26 VanDerWaalsContact C-N 3.3Å; K24-L26 PolarHBondContact O-N 3Å; K24-L27 PolarHBondContact O-N 3.4Å; K24-E28 WeakPolarHBondContact CE-OE1 3.35Å; K24-E28 IonicContact NZ-OE1 3.14Å; K24-E28 WeakPolarHBondContact O-CG 3.43Å; K24-E28 PolarHBondContact O-N 2.68Å
25R84.6Confident81.8Confident155 Ų155100.5 Ų100.559%0.58550%0.503SS*.Hα-helixtrans-60.8-38.5175.8-75-171-64.8-118.84.2112.6A21 Q22 L27 E28 H29A21-R25 WeakPolarHBondContact O-CG 3.44Å; A21-R25 PolarHBondContact O-N 3.47Å; Q22-R25 PolarHBondContact O-N 2.92Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-E28 PolarHBondContact O-N 3.3Å; R25-H29 PolarHBondContact O-N 2.9Å
26L82.5Confident82.6Confident78 Ų7896.3 Ų96.341%0.40849%0.486SS..Hα-helixtrans-64.5-39.5176.3-17270.1000111.6L18 Q22 L23 K24 E28 H29 P124L18-L26 HydrophobicContact CD1-CD2 4.15Å; Q22-L26 WeakPolarHBondContact O-CB 3.34Å; Q22-L26 PolarHBondContact O-N 2.95Å; L23-L26 WeakPolarHBondContact O-CB 3.27Å; L23-L26 PolarHBondContact O-N 3.18Å; K24-L26 VanDerWaalsContact C-N 3.3Å; K24-L26 PolarHBondContact O-N 3Å; L26-E28 VanDerWaalsContact C-N 3.34Å; L26-H29 WeakPolarHBondContact O-CB 3.45Å; L26-H29 PolarHBondContact O-N 3.25Å; L26-P124 HydrophobicContact CD1-CB 4.43Å; L26-P124 VanDerWaalsContact O-CG 3.27Å; L26-P124 WeakPolarHBondContact O-CG 3.38Å
27L82.3Confident83.5Confident135 Ų13594.6 Ų94.671%0.70747%0.474SS*.Hα-helixtrans-70-30.5175.6-70.2169.3000112.9L23 K24 R25 H29L23-L27 HydrophobicContact CG-CD1 4.41Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 2.98Å; K24-L27 PolarHBondContact O-N 3.4Å; R25-L27 VanDerWaalsContact C-N 3.34Å; L27-H29 VanDerWaalsContact C-N 3.34Å
28E84.6Confident83.9Confident122 Ų12292.8 Ų92.857%0.5746%0.462SS*.Hα-helixtrans-83.8-9.4176.9-70.3173.8169.200113.1K24 R25 L26 K30K24-E28 WeakPolarHBondContact CE-OE1 3.35Å; K24-E28 IonicContact NZ-OE1 3.14Å; K24-E28 WeakPolarHBondContact O-CG 3.43Å; K24-E28 PolarHBondContact O-N 2.68Å; R25-E28 PolarHBondContact O-N 3.3Å; L26-E28 VanDerWaalsContact C-N 3.34Å; E28-K30 PolarHBondContact O-N 2.78Å
29H83.4Confident84.1Confident78 Ų7895 Ų9536%0.36147%0.473SS..  trans-58.9132.8178.5-178.671.1000110.8R25 L26 L27 P124 E127R25-H29 PolarHBondContact O-N 2.9Å; L26-H29 WeakPolarHBondContact O-CB 3.45Å; L26-H29 PolarHBondContact O-N 3.25Å; L27-H29 VanDerWaalsContact C-N 3.34Å; H29-P124 HydrophobicContact CB-CB 4.28Å; H29-P124 HydrophobicContact CB-CG 4.01Å; H29-E127 IonicContact CD2-OE2 3.37Å; H29-E127 PolarHBondContact CD2-OE2 2.85Å; H29-E127 IonicContact NE2-OE1 3.04Å; H29-E127 PolarHBondContact NE2-OE1 3.32Å; H29-E127 VanDerWaalsContact NE2-OE1 3.14Å; H29-E127 IonicContact NE2-OE2 3.81Å; H29-E127 PolarHBondContact NE2-OE2 2.91Å
30K82Confident83.9Confident177 Ų17792.4 Ų92.477%0.7746%0.455SS*.  trans-120.8129.1174.4-68.4-173.3-179.9-178.30108.4E28 S32E28-K30 PolarHBondContact O-N 2.78Å; K30-S32 PolarHBondContact O-N 3.47Å
31Y81.9Confident83.7Confident110 Ų11092.8 Ų92.843%0.43146%0.457SS..  trans-52.6126.4172.9179.3-96.5000110.4A33 E127Y31-A33 HydrophobicContact CE1-CB 3.75Å; Y31-A33 HydrophobicContact CE2-CB 4.27Å; Y31-A33 VanDerWaalsContact CZ-CB 3.5Å; Y31-A33 VanDerWaalsContact OH-CB 3.25Å; Y31-A33 WeakPolarHBondContact OH-CB 3.31Å; Y31-E127 HydrophobicContact CD2-CG 4.13Å
32S85.9Confident83.6Confident53 Ų5393.5 Ų93.537%0.37145%0.453SS..  trans-140.3112.6174.5-168.60000108.6K30 G180 V181 L182K30-S32 PolarHBondContact O-N 3.47Å; S32-G180 WeakPolarHBondContact CB-O 3.48Å; S32-V181 WeakPolarHBondContact O-CA 3.48Å; S32-L182 PolarHBondContact O-N 3.16Å
33A85Confident83.8Confident37 Ų3795.9 Ų95.931%0.30646%0.462SS..EExtended strand (participates in β ladder)trans-132142.4174.300000110Y31 L182 F184Y31-A33 HydrophobicContact CE1-CB 3.75Å; Y31-A33 HydrophobicContact CE2-CB 4.27Å; Y31-A33 VanDerWaalsContact CZ-CB 3.5Å; Y31-A33 VanDerWaalsContact OH-CB 3.25Å; Y31-A33 WeakPolarHBondContact OH-CB 3.31Å; A33-L182 CarbonylContact C-O 3.59Å; A33-L182 WeakPolarHBondContact CA-O 3.45Å; A33-L182 HydrophobicContact CB-CB 4.3Å; A33-F184 HydrophobicContact CB-CE2 4.21Å
34Q84Confident84.1Confident77 Ų7795.4 Ų95.436%0.3646%0.459SS..EExtended strand (participates in β ladder)trans-122.9130.4174.2-179.2175.20.300107.9D36 V181 L182 R183 F184Q34-D36 PolarHBondContact NE2-OD1 2.75Å; Q34-D36 VanDerWaalsContact NE2-OD1 3.1Å; Q34-D36 PolarHBondContact NE2-OD2 3.27Å; Q34-V181 HydrophobicContact CB-CG1 4.11Å; Q34-L182 PolarHBondContact N-O 3.08Å; Q34-R183 CarbonylContact O-C 3.59Å; Q34-R183 WeakPolarHBondContact O-CA 3.45Å; Q34-F184 PolarHBondContact O-N 3.33Å
35D82.5Confident84.4Confident57 Ų5791.9 Ų91.931%0.30545%0.446SS..EExtended strand (participates in β ladder)trans-125.1104.4177.8-176.29.2000109.8S37 S40 F184D35-S37 VanDerWaalsContact C-N 3.32Å; D35-S37 WeakPolarHBondContact OD1-CB 3.37Å; D35-S37 PolarHBondContact OD1-N 2.95Å; D35-S37 PolarHBondContact OD1-OG 3.01Å; D35-S40 WeakPolarHBondContact OD2-CB 3.05Å; D35-S40 PolarHBondContact OD2-OG 3.03Å; D35-F184 CarbonylContact C-O 3.59Å; D35-F184 WeakPolarHBondContact CA-O 3.49Å; D35-F184 HydrophobicContact CB-CB 4.04Å; D35-F184 HydrophobicContact CB-CD2 4.4Å; D35-F184 WeakPolarHBondContact OD1-CB 3.36Å
36D81.4Confident84.8Confident83 Ų8391 Ų9144%0.44445%0.447SS..  trans-98.722.3178.7-60.4-45.9000111.1Q34 F184Q34-D36 PolarHBondContact NE2-OD1 2.75Å; Q34-D36 VanDerWaalsContact NE2-OD1 3.1Å; Q34-D36 PolarHBondContact NE2-OD2 3.27Å; D36-F184 PolarHBondContact N-O 2.91Å
37S84.5Confident85.4Confident37 Ų3791 Ų9126%0.25944%0.443SS..  trans-78.1122.4179.9-53.30000111.8D35 L39 S40 E41 G185D35-S37 VanDerWaalsContact C-N 3.32Å; D35-S37 WeakPolarHBondContact OD1-CB 3.37Å; D35-S37 PolarHBondContact OD1-N 2.95Å; D35-S37 PolarHBondContact OD1-OG 3.01Å; S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.17Å; S37-L39 VanDerWaalsContact O-N 3.17Å; S37-S40 WeakPolarHBondContact O-CA 3.36Å; S37-S40 WeakPolarHBondContact O-CB 3.49Å; S37-S40 PolarHBondContact O-N 3.06Å; S37-E41 PolarHBondContact O-N 2.94Å; S37-E41 VanDerWaalsContact O-N 3.1Å; S37-G185 PolarHBondContact OG-N 3.49Å
38F85.9Confident86Confident151 Ų15186.1 Ų86.166%0.66242%0.416SS*.Hα-helixtrans-50.1-43.6178.1178.5-101.8000114S40 L42F38-S40 VanDerWaalsContact C-N 3.34Å; F38-L42 HydrophobicContact CE1-CD2 4.06Å; F38-L42 HydrophobicContact CZ-CD2 3.97Å; F38-L42 WeakPolarHBondContact O-CB 2.99Å; F38-L42 PolarHBondContact O-N 3.1Å
39L84.6Confident86.5Confident113 Ų11384 Ų8459%0.59241%0.408SS*.Hα-helixtrans-69.7-32.8179.1-67.7177.9000112.8S37 F43 M44S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.17Å; S37-L39 VanDerWaalsContact O-N 3.17Å; L39-F43 PolarHBondContact O-N 3.41Å; L39-M44 PolarHBondContact O-N 2.92Å
40S80.7Confident87.2Confident4 Ų483.7 Ų83.73%0.02842%0.415CS..Iπ-helixtrans-69.2-45.1-179.4-1710000111.4D35 S37 F38 N45D35-S40 WeakPolarHBondContact OD2-CB 3.05Å; D35-S40 PolarHBondContact OD2-OG 3.03Å; S37-S40 WeakPolarHBondContact O-CA 3.36Å; S37-S40 WeakPolarHBondContact O-CB 3.49Å; S37-S40 PolarHBondContact O-N 3.06Å; F38-S40 VanDerWaalsContact C-N 3.34Å; S40-N45 WeakPolarHBondContact O-CB 3.43Å; S40-N45 PolarHBondContact O-N 3.17Å; S40-N45 PolarHBondContact O-ND2 3.22Å; S40-N45 PolarHBondContact OG-ND2 2.82Å
41E81.8Confident87.9Confident155 Ų15576.8 Ų76.872%0.72439%0.387SS*.Iπ-helixtrans-62.5-42.9175.7-168.8-179.4178.100111.8S37S37-E41 PolarHBondContact O-N 2.94Å; S37-E41 VanDerWaalsContact O-N 3.1Å
42L83.8Confident88.6Confident70 Ų7071.6 Ų71.637%0.36637%0.367SS..Iπ-helixtrans-79-43.8-172.1-16958.8000113.6F38 K46F38-L42 HydrophobicContact CE1-CD2 4.06Å; F38-L42 HydrophobicContact CZ-CD2 3.97Å; F38-L42 WeakPolarHBondContact O-CB 2.99Å; F38-L42 PolarHBondContact O-N 3.1Å; L42-K46 PolarHBondContact O-NZ 3.01Å
43F89.6Confident89.1Confident130 Ų13073.4 Ų73.457%0.5737%0.373SS*.Iπ-helixtrans-132.4-48.7-168.8-64.2-66.4000114.5L39 N45 K46 F47L39-F43 PolarHBondContact O-N 3.41Å; F43-N45 PolarHBondContact O-N 2.52Å; F43-K46 PolarHBondContact O-N 3.37Å; F43-F47 PolarHBondContact O-N 3.37Å
44M91Very high89.7Confident54 Ų5478.9 Ų78.927%0.26639%0.392SS..Iπ-helixtrans-67.8-38.8-166.1-56.3-66.9-6800112.6L39 K46 F47 W48L39-M44 PolarHBondContact O-N 2.92Å; M44-K46 VanDerWaalsContact C-N 3.3Å; M44-K46 PolarHBondContact O-N 3.05Å; M44-F47 PolarHBondContact O-N 3.28Å; M44-W48 HydrophobicContact CB-CD2 3.95Å; M44-W48 HydrophobicContact CB-CE3 3.8Å; M44-W48 HydrophobicContact CB-CH2 3.57Å; M44-W48 HydrophobicContact CB-CZ2 3.71Å; M44-W48 HydrophobicContact CB-CZ3 3.61Å; M44-W48 HydrophobicContact CE-CH2 4.33Å; M44-W48 HydrophobicContact CE-CZ2 3.43Å; M44-W48 VanDerWaalsContact CE-CZ2 3.43Å; M44-W48 HydrophobicContact CG-CH2 4.28Å; M44-W48 HydrophobicContact CG-CZ2 4.26Å; M44-W48 WeakPolarHBondContact O-CB 3.49Å; M44-W48 VanDerWaalsContact O-CG 3.24Å; M44-W48 PolarHBondContact O-N 2.63Å
45N90.2Very high90.3Very high54 Ų5477.6 Ų77.629%0.28939%0.386SS..Hα-helixtrans-62.2-38176.5-83-54.4000112.6S40 F43 N49S40-N45 WeakPolarHBondContact O-CB 3.43Å; S40-N45 PolarHBondContact O-N 3.17Å; S40-N45 PolarHBondContact O-ND2 3.22Å; S40-N45 PolarHBondContact OG-ND2 2.82Å; F43-N45 PolarHBondContact O-N 2.52Å; N45-N49 WeakPolarHBondContact O-CB 3.04Å; N45-N49 PolarHBondContact O-N 3.12Å; N45-N49 PolarHBondContact O-ND2 3.26Å
46K92.6Very high91Very high137 Ų13777.6 Ų77.660%0.59639%0.388SS*.Hα-helixtrans-64.1-47174.5-66.1175.7-175.4162.70110.7L42 F43 M44 N49 S50L42-K46 PolarHBondContact O-NZ 3.01Å; F43-K46 PolarHBondContact O-N 3.37Å; M44-K46 VanDerWaalsContact C-N 3.3Å; M44-K46 PolarHBondContact O-N 3.05Å; K46-N49 PolarHBondContact O-N 3.22Å; K46-S50 PolarHBondContact O-N 3.07Å; K46-S50 PolarHBondContact O-OG 2.97Å; K46-S50 VanDerWaalsContact O-OG 3.11Å
47F95.7Very high91.8Very high76 Ų7679.1 Ų79.133%0.33340%0.396SS..Hα-helixtrans-59.1-53.6177.4170.4-107.2000112F43 M44 N49 S50 V51 F103 T107F43-F47 PolarHBondContact O-N 3.37Å; M44-F47 PolarHBondContact O-N 3.28Å; F47-N49 VanDerWaalsContact C-N 3.31Å; F47-N49 PolarHBondContact O-N 2.84Å; F47-S50 WeakPolarHBondContact O-CB 3.36Å; F47-S50 PolarHBondContact O-N 3.22Å; F47-S50 VanDerWaalsContact O-N 3.12Å; F47-V51 HydrophobicContact CD2-CG2 4.2Å; F47-V51 HydrophobicContact CE1-CG2 4.17Å; F47-V51 HydrophobicContact CE2-CG2 3.74Å; F47-V51 HydrophobicContact CZ-CG2 3.73Å; F47-V51 WeakPolarHBondContact O-CG2 3.34Å; F47-V51 PolarHBondContact O-N 3.43Å; F47-F103 HydrophobicContact CE1-CZ 4.05Å; F47-F103 HydrophobicContact CZ-CE1 4.14Å; F47-F103 AromaticContact CZ-CZ 3.78Å; F47-F103 HydrophobicContact CZ-CZ 3.78Å; F47-T107 HydrophobicContact CE1-CG2 3.8Å; F47-T107 HydrophobicContact CZ-CG2 4.03Å
48W95.6Very high92.4Very high34 Ų3487.5 Ų87.513%0.12942%0.422CS..Hα-helixtrans-63.7-35.1-179.9-61.9-42.6000112.7M44 V51 V52 A110 K114M44-W48 HydrophobicContact CB-CD2 3.95Å; M44-W48 HydrophobicContact CB-CE3 3.8Å; M44-W48 HydrophobicContact CB-CH2 3.57Å; M44-W48 HydrophobicContact CB-CZ2 3.71Å; M44-W48 HydrophobicContact CB-CZ3 3.61Å; M44-W48 HydrophobicContact CE-CH2 4.33Å; M44-W48 HydrophobicContact CE-CZ2 3.43Å; M44-W48 VanDerWaalsContact CE-CZ2 3.43Å; M44-W48 HydrophobicContact CG-CH2 4.28Å; M44-W48 HydrophobicContact CG-CZ2 4.26Å; M44-W48 WeakPolarHBondContact O-CB 3.49Å; M44-W48 VanDerWaalsContact O-CG 3.24Å; M44-W48 PolarHBondContact O-N 2.63Å; W48-V51 PolarHBondContact O-N 3.42Å; W48-V52 WeakPolarHBondContact O-CB 3.28Å; W48-V52 PolarHBondContact O-N 3.5Å; W48-A110 HydrophobicContact CB-CB 4.48Å; W48-A110 HydrophobicContact CD2-CB 3.49Å; W48-A110 VanDerWaalsContact CD2-CB 3.49Å; W48-A110 HydrophobicContact CE3-CB 4.09Å; W48-A110 HydrophobicContact CG-CB 3.68Å; W48-A110 HydrophobicContact CH2-CB 4.37Å; W48-A110 HydrophobicContact CZ2-CB 3.81Å; W48-A110 HydrophobicContact CZ3-CB 4.5Å; W48-K114 HydrophobicContact CB-CD 3.91Å
49N95.1Very high92.9Very high76 Ų7681.2 Ų81.241%0.40640%0.396SS..Hα-helixtrans-65.6-42.3172.9-73.3-24.6000111.5N45 K46 F47 V51 V52 D53 K114N45-N49 WeakPolarHBondContact O-CB 3.04Å; N45-N49 PolarHBondContact O-N 3.12Å; N45-N49 PolarHBondContact O-ND2 3.26Å; K46-N49 PolarHBondContact O-N 3.22Å; F47-N49 VanDerWaalsContact C-N 3.31Å; F47-N49 PolarHBondContact O-N 2.84Å; N49-V51 VanDerWaalsContact C-N 3.33Å; N49-V51 PolarHBondContact O-N 3.41Å; N49-V52 VanDerWaalsContact O-CG1 3.3Å; N49-V52 WeakPolarHBondContact O-CG1 3.36Å; N49-V52 PolarHBondContact O-N 2.97Å; N49-D53 WeakPolarHBondContact O-CB 3.44Å; N49-D53 PolarHBondContact O-N 3.47Å; N49-D53 VanDerWaalsContact O-N 3.09Å; N49-K114 WeakPolarHBondContact OD1-CD 3.33Å; N49-K114 WeakPolarHBondContact OD1-CE 3.38Å
50S96.5Very high93.5Very high73 Ų7378.5 Ų78.551%0.5139%0.39SS..Hα-helixtrans-62.8-40.1174.4-63.60000112.5K46 F47 Q54K46-S50 PolarHBondContact O-N 3.07Å; K46-S50 PolarHBondContact O-OG 2.97Å; K46-S50 VanDerWaalsContact O-OG 3.11Å; F47-S50 WeakPolarHBondContact O-CB 3.36Å; F47-S50 PolarHBondContact O-N 3.22Å; F47-S50 VanDerWaalsContact O-N 3.12Å; S50-Q54 WeakPolarHBondContact O-CG 3.47Å; S50-Q54 PolarHBondContact O-NE2 3.35Å
51V96.9Very high94.3Very high31 Ų3178.9 Ų78.919%0.18839%0.392CS..Hα-helixtrans-67-48.9177.7171.40000111.2F47 W48 N49 D53 Q54 F55 T107F47-V51 HydrophobicContact CD2-CG2 4.2Å; F47-V51 HydrophobicContact CE1-CG2 4.17Å; F47-V51 HydrophobicContact CE2-CG2 3.74Å; F47-V51 HydrophobicContact CZ-CG2 3.73Å; F47-V51 WeakPolarHBondContact O-CG2 3.34Å; F47-V51 PolarHBondContact O-N 3.43Å; W48-V51 PolarHBondContact O-N 3.42Å; N49-V51 VanDerWaalsContact C-N 3.33Å; N49-V51 PolarHBondContact O-N 3.41Å; V51-D53 PolarHBondContact O-N 2.88Å; V51-Q54 WeakPolarHBondContact O-CB 3.39Å; V51-Q54 PolarHBondContact O-N 2.61Å; V51-F55 HydrophobicContact CG1-CE2 3.85Å; V51-T107 HydrophobicContact CB-CG2 4.3Å; V51-T107 HydrophobicContact CG1-CG2 3.78Å; V51-T107 HydrophobicContact CG2-CG2 4.06Å
52V97.5Very high95Very high2 Ų274.2 Ų74.21%0.01237%0.372CS..Hα-helixtrans-61.5-34.4-178.776.30000111.3W48 N49 Q54 F55 A111 K114 Q115 R118W48-V52 WeakPolarHBondContact O-CB 3.28Å; W48-V52 PolarHBondContact O-N 3.5Å; N49-V52 VanDerWaalsContact O-CG1 3.3Å; N49-V52 WeakPolarHBondContact O-CG1 3.36Å; N49-V52 PolarHBondContact O-N 2.97Å; V52-Q54 PolarHBondContact O-N 2.84Å; V52-F55 PolarHBondContact O-N 3.46Å; V52-A111 HydrophobicContact CB-CB 4.36Å; V52-A111 WeakPolarHBondContact CG2-O 3.39Å; V52-K114 HydrophobicContact CB-CB 4.12Å; V52-K114 HydrophobicContact CG1-CB 4.01Å; V52-K114 HydrophobicContact CG1-CD 4.42Å; V52-K114 HydrophobicContact CG2-CB 3.9Å; V52-Q115 HydrophobicContact CG2-CB 3.78Å; V52-R118 PolarHBondContact O-NH1 2.95Å
53D96.8Very high95.7Very high91 Ų9172.9 Ų72.949%0.48737%0.371SS..Hα-helixtrans-63.4-23.1177.8-79.2-28000114N49 V51 F55 R118N49-D53 WeakPolarHBondContact O-CB 3.44Å; N49-D53 PolarHBondContact O-N 3.47Å; N49-D53 VanDerWaalsContact O-N 3.09Å; V51-D53 PolarHBondContact O-N 2.88Å; D53-F55 VanDerWaalsContact C-N 3.34Å; D53-R118 IonicContact OD1-CZ 3.21Å; D53-R118 IonicContact OD1-NE 3.06Å; D53-R118 PolarHBondContact OD1-NE 3.02Å; D53-R118 IonicContact OD1-NH2 2.91Å; D53-R118 PolarHBondContact OD1-NH2 3.27Å
54Q97.4Very high96.1Very high151 Ų15167 Ų6771%0.70635%0.346SS*.Hα-helixtrans-77.5-18.9174.4-52.9-46.5-63.800113.1S50 V51 V52 P56S50-Q54 WeakPolarHBondContact O-CG 3.47Å; S50-Q54 PolarHBondContact O-NE2 3.35Å; V51-Q54 WeakPolarHBondContact O-CB 3.39Å; V51-Q54 PolarHBondContact O-N 2.61Å; V52-Q54 PolarHBondContact O-N 2.84Å; Q54-P56 WeakPolarHBondContact O-CD 3.43Å
55F96.7Very high96.4Very high51 Ų5164.6 Ų64.622%0.22433%0.334CS..SBendtrans-78.8124.1177.6-70-65.9000110.8V51 V52 D53 L64 L108 A111 R118V51-F55 HydrophobicContact CG1-CE2 3.85Å; V52-F55 PolarHBondContact O-N 3.46Å; D53-F55 VanDerWaalsContact C-N 3.34Å; F55-L64 HydrophobicContact CD1-CD2 3.68Å; F55-L64 HydrophobicContact CD2-CD1 4Å; F55-L64 HydrophobicContact CD2-CD2 4.12Å; F55-L64 HydrophobicContact CE1-CD2 3.47Å; F55-L64 VanDerWaalsContact CE1-CD2 3.47Å; F55-L64 HydrophobicContact CE2-CD1 4.18Å; F55-L64 HydrophobicContact CE2-CD2 3.95Å; F55-L64 HydrophobicContact CG-CD1 4.36Å; F55-L64 HydrophobicContact CG-CD2 4.02Å; F55-L64 HydrophobicContact CZ-CD2 3.64Å; F55-L108 HydrophobicContact CE2-CD2 4.1Å; F55-L108 HydrophobicContact CZ-CD2 3.59Å; F55-A111 HydrophobicContact CE2-CB 4.38Å; F55-R118 PolarHBondContact O-NH1 2.86Å
56P97.3Very high96.8Very high56 Ų5665.5 Ų65.536%0.36434%0.338SS..  trans-57.3147.7172.2-24.133.7000111.9Q54 W58 V59 Q115Q54-P56 WeakPolarHBondContact O-CD 3.43Å; P56-W58 VanDerWaalsContact CB-CD1 3.44Å; P56-W58 HydrophobicContact CB-CD2 4.2Å; P56-W58 HydrophobicContact CB-CG 4.08Å; P56-W58 HydrophobicContact CB-CZ2 4.23Å; P56-W58 HydrophobicContact CG-CZ2 4.03Å; P56-W58 PolarHBondContact O-N 3.21Å; P56-W58 VanDerWaalsContact O-N 3.07Å; P56-V59 HydrophobicContact CB-CG2 4.35Å; P56-V59 HydrophobicContact CG-CG2 4.41Å; P56-V59 WeakPolarHBondContact O-CB 3.21Å; P56-V59 PolarHBondContact O-N 3.22Å; P56-Q115 PolarHBondContact O-NE2 3.49Å; P56-Q115 VanDerWaalsContact O-NE2 3.09Å
57L96.9Very high97.1Very high116 Ų11661.8 Ų61.861%0.60733%0.33SS*.THydrogen-bonded Turntrans-63.7-16.4-178.1-62.6178000114.2V59 T119L57-V59 VanDerWaalsContact C-N 3.31Å; L57-T119 HydrophobicContact CB-CG2 4.46Å; L57-T119 HydrophobicContact CD2-CG2 4.17Å; L57-T119 WeakPolarHBondContact O-CG2 3.26Å
58W96.9Very high97.2Very high212 Ų21258.2 Ų58.280%0.80331%0.314SS*.THydrogen-bonded Turntrans-78.9-14.2174.960.7-104.1000113P56 A60P56-W58 VanDerWaalsContact CB-CD1 3.44Å; P56-W58 HydrophobicContact CB-CD2 4.2Å; P56-W58 HydrophobicContact CB-CG 4.08Å; P56-W58 HydrophobicContact CB-CZ2 4.23Å; P56-W58 HydrophobicContact CG-CZ2 4.03Å; P56-W58 PolarHBondContact O-N 3.21Å; P56-W58 VanDerWaalsContact O-N 3.07Å; W58-A60 PolarHBondContact O-N 3.11Å
59V97.5Very high97.4Very high20 Ų2057.6 Ų57.612%0.12131%0.313CS..SBendtrans-75.1114176.2-179.30000108.7P56 L57 L64 Q115P56-V59 HydrophobicContact CB-CG2 4.35Å; P56-V59 HydrophobicContact CG-CG2 4.41Å; P56-V59 WeakPolarHBondContact O-CB 3.21Å; P56-V59 PolarHBondContact O-N 3.22Å; L57-V59 VanDerWaalsContact C-N 3.31Å; V59-L64 HydrophobicContact CG1-CD2 3.74Å; V59-L64 HydrophobicContact CG1-CG 4.12Å; V59-Q115 PolarHBondContact O-NE2 2.92Å
60A97.3Very high97.5Very high55 Ų5559 Ų5946%0.45532%0.32SS..  trans-66140.3177.700000111W58 N62 A63W58-A60 PolarHBondContact O-N 3.11Å; A60-N62 PolarHBondContact O-N 3.35Å; A60-A63 HydrophobicContact CB-CB 4.32Å; A60-A63 VanDerWaalsContact O-CB 3.24Å; A60-A63 WeakPolarHBondContact O-CB 3.41Å; A60-A63 PolarHBondContact O-N 3.19Å
61P97.6Very high97.6Very high13 Ų1359 Ų598%0.08431%0.314CS..Hα-helixtrans-50.8-51.5176.2-29.836.6000113.2A63 L64 T65 D112 Q115 A116P61-A63 PolarHBondContact O-N 2.95Å; P61-L64 WeakPolarHBondContact O-CA 3.42Å; P61-L64 VanDerWaalsContact O-CB 3.25Å; P61-L64 WeakPolarHBondContact O-CB 3.5Å; P61-L64 PolarHBondContact O-N 3.42Å; P61-T65 PolarHBondContact O-N 3.19Å; P61-T65 PolarHBondContact O-OG1 3.03Å; P61-D112 HydrophobicContact CB-CB 4.39Å; P61-D112 WeakPolarHBondContact CB-O 3.46Å; P61-Q115 HydrophobicContact CG-CB 4.38Å; P61-Q115 HydrophobicContact CG-CG 4.3Å; P61-A116 HydrophobicContact CB-CB 3.97Å; P61-A116 VanDerWaalsContact CG-CA 3.47Å; P61-A116 HydrophobicContact CG-CB 3.62Å
62N96.9Very high97.7Very high56 Ų5657.6 Ų57.630%0.29931%0.305SS..Hα-helixtrans-62.8-19.3-179.8-61.613.2000113.3A60 I66 F129A60-N62 PolarHBondContact O-N 3.35Å; N62-I66 WeakPolarHBondContact O-CB 3.38Å; N62-I66 VanDerWaalsContact O-CG1 3.23Å; N62-I66 WeakPolarHBondContact O-CG1 3.49Å; N62-I66 PolarHBondContact O-N 3.22Å; N62-F129 HydrophobicContact CB-CD1 3.87Å; N62-F129 HydrophobicContact CB-CE1 3.9Å
63A97.9Very high97.7Very high42 Ų4259.8 Ų59.835%0.34732%0.317SS..Hα-helixtrans-72.2-33.517300000111.5A60 P61 S67A60-A63 HydrophobicContact CB-CB 4.32Å; A60-A63 VanDerWaalsContact O-CB 3.24Å; A60-A63 WeakPolarHBondContact O-CB 3.41Å; A60-A63 PolarHBondContact O-N 3.19Å; P61-A63 PolarHBondContact O-N 2.95Å; A63-S67 VanDerWaalsContact O-CB 3.26Å; A63-S67 WeakPolarHBondContact O-CB 3.46Å; A63-S67 PolarHBondContact O-N 3.4Å; A63-S67 PolarHBondContact O-OG 2.79Å
64L98Very high97.8Very high6 Ų658.2 Ų58.23%0.03132%0.317CS..Hα-helixtrans-64.5-49.3171.6-57.8178.7000109.9F55 V59 P61 I66 S67 G68 L108 D112 Q115F55-L64 HydrophobicContact CD1-CD2 3.68Å; F55-L64 HydrophobicContact CD2-CD1 4Å; F55-L64 HydrophobicContact CD2-CD2 4.12Å; F55-L64 HydrophobicContact CE1-CD2 3.47Å; F55-L64 VanDerWaalsContact CE1-CD2 3.47Å; F55-L64 HydrophobicContact CE2-CD1 4.18Å; F55-L64 HydrophobicContact CE2-CD2 3.95Å; F55-L64 HydrophobicContact CG-CD1 4.36Å; F55-L64 HydrophobicContact CG-CD2 4.02Å; F55-L64 HydrophobicContact CZ-CD2 3.64Å; V59-L64 HydrophobicContact CG1-CD2 3.74Å; V59-L64 HydrophobicContact CG1-CG 4.12Å; P61-L64 WeakPolarHBondContact O-CA 3.42Å; P61-L64 VanDerWaalsContact O-CB 3.25Å; P61-L64 WeakPolarHBondContact O-CB 3.5Å; P61-L64 PolarHBondContact O-N 3.42Å; L64-I66 PolarHBondContact O-N 3.05Å; L64-S67 PolarHBondContact O-N 2.94Å; L64-G68 PolarHBondContact O-N 2.78Å; L64-L108 HydrophobicContact CB-CD2 4.49Å; L64-L108 HydrophobicContact CD2-CD2 4.24Å; L64-D112 HydrophobicContact CB-CB 4.09Å; L64-D112 HydrophobicContact CD1-CB 4.43Å; L64-Q115 HydrophobicContact CD1-CB 4Å; L64-Q115 HydrophobicContact CD1-CG 4.23Å
65T97.9Very high97.8Very high5 Ų551.2 Ų51.23%0.03128%0.284CS..Hα-helixtrans-53.8-52.5176.1-37.90000111.7P61 S67 G68 L69 D112 F129 C133P61-T65 PolarHBondContact O-N 3.19Å; P61-T65 PolarHBondContact O-OG1 3.03Å; T65-S67 VanDerWaalsContact C-N 3.33Å; T65-S67 PolarHBondContact O-N 3.37Å; T65-G68 PolarHBondContact O-N 3.13Å; T65-L69 PolarHBondContact O-N 2.97Å; T65-D112 WeakPolarHBondContact CB-OD2 3.44Å; T65-D112 PolarHBondContact OG1-OD2 3.48Å; T65-F129 HydrophobicContact CG2-CD1 4.27Å; T65-F129 HydrophobicContact CG2-CE1 4.15Å; T65-C133 HydrophobicContact CG2-CB 3.6Å
66I98.3Very high97.9Very high73 Ų7348.9 Ų48.937%0.37427%0.274SS..Hα-helixtrans-62.6-41.7179.7-70.7167.3000110.9N62 L64 G68 L69 L70 F129N62-I66 WeakPolarHBondContact O-CB 3.38Å; N62-I66 VanDerWaalsContact O-CG1 3.23Å; N62-I66 WeakPolarHBondContact O-CG1 3.49Å; N62-I66 PolarHBondContact O-N 3.22Å; L64-I66 PolarHBondContact O-N 3.05Å; I66-G68 VanDerWaalsContact C-N 3.35Å; I66-G68 PolarHBondContact O-N 3.29Å; I66-L69 PolarHBondContact O-N 3.26Å; I66-L70 HydrophobicContact CG2-CD1 3.74Å; I66-L70 HydrophobicContact CG2-CG 4.08Å; I66-L70 WeakPolarHBondContact O-CB 3.44Å; I66-L70 VanDerWaalsContact O-CG 3.29Å; I66-L70 WeakPolarHBondContact O-CG 3.46Å; I66-L70 PolarHBondContact O-N 3.23Å; I66-F129 HydrophobicContact CD1-CE1 4.08Å; I66-F129 HydrophobicContact CD1-CZ 3.7Å; I66-F129 HydrophobicContact CG1-CE1 3.71Å; I66-F129 HydrophobicContact CG1-CZ 3.51Å
67S98.3Very high98Very high59 Ų5950 Ų5041%0.41328%0.279SS..Hα-helixtrans-62.2-44.1179.7-61.90000111.3A63 L64 T65 L71A63-S67 VanDerWaalsContact O-CB 3.26Å; A63-S67 WeakPolarHBondContact O-CB 3.46Å; A63-S67 PolarHBondContact O-N 3.4Å; A63-S67 PolarHBondContact O-OG 2.79Å; L64-S67 PolarHBondContact O-N 2.94Å; T65-S67 VanDerWaalsContact C-N 3.33Å; T65-S67 PolarHBondContact O-N 3.37Å; S67-L71 WeakPolarHBondContact O-CG 3.36Å; S67-L71 PolarHBondContact O-N 3.09Å; S67-L71 VanDerWaalsContact O-N 3.11Å
68G98.4Very high98Very high1 Ų146.9 Ų46.91%0.0126%0.263CS..Hα-helixtrans-58.4-52.317300000111.6L64 T65 I66 L70 L71 N72 Y105L64-G68 PolarHBondContact O-N 2.78Å; T65-G68 PolarHBondContact O-N 3.13Å; I66-G68 VanDerWaalsContact C-N 3.35Å; I66-G68 PolarHBondContact O-N 3.29Å; G68-L70 VanDerWaalsContact C-N 3.35Å; G68-L70 PolarHBondContact O-N 3.39Å; G68-L71 PolarHBondContact O-N 3.15Å; G68-N72 PolarHBondContact O-N 3.02Å; G68-Y105 VanDerWaalsContact C-CD2 3.47Å
69L98.4Very high98.1Very high20 Ų2036.8 Ų36.811%0.10523%0.225CC..Hα-helixtrans-57.5-46.2-179.5179.262.4000111.9T65 I66 L71 N72 I73 Y105 C133 L136T65-L69 PolarHBondContact O-N 2.97Å; I66-L69 PolarHBondContact O-N 3.26Å; L69-L71 PolarHBondContact O-N 3.05Å; L69-N72 PolarHBondContact O-N 2.79Å; L69-I73 HydrophobicContact CD1-CD1 3.94Å; L69-I73 HydrophobicContact CD1-CG1 4.18Å; L69-I73 HydrophobicContact CD2-CD1 4.47Å; L69-I73 HydrophobicContact CG-CD1 3.83Å; L69-I73 HydrophobicContact CG-CG1 4.44Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 3.47Å; L69-Y105 HydrophobicContact CB-CE2 4.47Å; L69-C133 HydrophobicContact CD2-CB 4.15Å; L69-L136 HydrophobicContact CD1-CB 4.2Å; L69-L136 HydrophobicContact CD2-CD1 4.42Å
70L98.6Very high98.1Very high106 Ų10638.4 Ų38.456%0.55524%0.235SC*.Hα-helixtrans-63.5-41.1179.9-72.1176.6000112.4I66 G68 N72 I73 A74I66-L70 HydrophobicContact CG2-CD1 3.74Å; I66-L70 HydrophobicContact CG2-CG 4.08Å; I66-L70 WeakPolarHBondContact O-CB 3.44Å; I66-L70 VanDerWaalsContact O-CG 3.29Å; I66-L70 WeakPolarHBondContact O-CG 3.46Å; I66-L70 PolarHBondContact O-N 3.23Å; G68-L70 VanDerWaalsContact C-N 3.35Å; G68-L70 PolarHBondContact O-N 3.39Å; L70-N72 VanDerWaalsContact C-N 3.34Å; L70-I73 PolarHBondContact O-N 3.25Å; L70-A74 VanDerWaalsContact O-CB 3.27Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 3.43Å
71L98.4Very high98.1Very high74 Ų7440.5 Ų40.539%0.38725%0.245SC..Hα-helixtrans-62.6-43175.6-73.1173000111.5S67 G68 L69 A74 S75 T101 I104S67-L71 WeakPolarHBondContact O-CG 3.36Å; S67-L71 PolarHBondContact O-N 3.09Å; S67-L71 VanDerWaalsContact O-N 3.11Å; G68-L71 PolarHBondContact O-N 3.15Å; L69-L71 PolarHBondContact O-N 3.05Å; L71-A74 PolarHBondContact O-N 2.87Å; L71-S75 PolarHBondContact O-N 3.26Å; L71-S75 PolarHBondContact O-OG 3.42Å; L71-T101 HydrophobicContact CB-CG2 4.32Å; L71-I104 HydrophobicContact CD1-CG2 3.76Å
72N98.1Very high98.1Very high0 Ų044.6 Ų44.60%026%0.26CS..Hα-helixtrans-66.9-40.4178.3-173.139.4000112.5G68 L69 L70 S75 T76 Y105 S137 I141 Q144G68-N72 PolarHBondContact O-N 3.02Å; L69-N72 PolarHBondContact O-N 2.79Å; L70-N72 VanDerWaalsContact C-N 3.34Å; N72-S75 PolarHBondContact O-OG 3.16Å; N72-T76 WeakPolarHBondContact O-CB 3.42Å; N72-T76 PolarHBondContact O-N 2.89Å; N72-T76 VanDerWaalsContact O-N 3.09Å; N72-T76 PolarHBondContact O-OG1 2.84Å; N72-Y105 HydrophobicContact CB-CD2 4.13Å; N72-S137 PolarHBondContact ND2-O 2.74Å; N72-S137 PolarHBondContact ND2-OG 2.9Å; N72-I141 WeakPolarHBondContact ND2-CG1 3.36Å; N72-Q144 PolarHBondContact O-NE2 3.31Å; N72-Q144 PolarHBondContact OD1-NE2 3.28Å
73I98.5Very high98.1Very high48 Ų4841.9 Ų41.925%0.24625%0.245CC..Hα-helixtrans-62.9-48.5173.3-68.6171.9000110.2L69 L70 S75 T76 V77 F140L69-I73 HydrophobicContact CD1-CD1 3.94Å; L69-I73 HydrophobicContact CD1-CG1 4.18Å; L69-I73 HydrophobicContact CD2-CD1 4.47Å; L69-I73 HydrophobicContact CG-CD1 3.83Å; L69-I73 HydrophobicContact CG-CG1 4.44Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 3.47Å; L70-I73 PolarHBondContact O-N 3.25Å; I73-S75 PolarHBondContact O-N 3.18Å; I73-T76 PolarHBondContact O-N 3.15Å; I73-V77 HydrophobicContact CG2-CG2 4.24Å; I73-V77 WeakPolarHBondContact O-CG2 3.28Å; I73-V77 PolarHBondContact O-N 3.36Å; I73-F140 HydrophobicContact CD1-CD2 4.43Å; I73-F140 HydrophobicContact CD1-CE2 3.89Å; I73-F140 HydrophobicContact CD1-CZ 4.13Å; I73-F140 HydrophobicContact CG1-CD1 4.23Å; I73-F140 HydrophobicContact CG1-CD2 3.69Å; I73-F140 HydrophobicContact CG1-CE1 4.08Å; I73-F140 HydrophobicContact CG1-CE2 3.55Å; I73-F140 HydrophobicContact CG1-CG 4.06Å; I73-F140 HydrophobicContact CG1-CZ 3.75Å; I73-F140 HydrophobicContact CG2-CE1 4.2Å; I73-F140 HydrophobicContact CG2-CZ 4.35Å
74A98.6Very high98Very high59 Ų5944.3 Ų44.349%0.48826%0.257SS..Hα-helixtrans-61.8-43.7-17700000112.4L70 L71 T76 V77 L78L70-A74 VanDerWaalsContact O-CB 3.27Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 3.43Å; L71-A74 PolarHBondContact O-N 2.87Å; A74-T76 VanDerWaalsContact C-N 3.34Å; A74-V77 PolarHBondContact O-N 2.91Å; A74-L78 WeakPolarHBondContact O-CB 3.43Å; A74-L78 PolarHBondContact O-N 3.44Å
75S98.3Very high97.8Very high3 Ų347.2 Ų47.22%0.02127%0.273CS..Hα-helixtrans-66.9-36.6176.766.30000111.9L71 N72 I73 L78 L79 T101 Q144L71-S75 PolarHBondContact O-N 3.26Å; L71-S75 PolarHBondContact O-OG 3.42Å; N72-S75 PolarHBondContact O-OG 3.16Å; I73-S75 PolarHBondContact O-N 3.18Å; S75-L78 PolarHBondContact O-N 3.11Å; S75-L79 WeakPolarHBondContact O-CB 3.32Å; S75-L79 PolarHBondContact O-N 2.73Å; S75-T101 WeakPolarHBondContact CB-OG1 3.4Å; S75-T101 PolarHBondContact OG-OG1 3.1Å; S75-Q144 PolarHBondContact OG-NE2 3.25Å; S75-Q144 VanDerWaalsContact OG-NE2 3.15Å
76T98.2Very high97.6Very high3 Ų347.2 Ų47.22%0.01827%0.274CS..Hα-helixtrans-64.2-48.4174.3-51.70000111.9N72 I73 A74 L78 L79 V80 F140 I143 Q144N72-T76 WeakPolarHBondContact O-CB 3.42Å; N72-T76 PolarHBondContact O-N 2.89Å; N72-T76 VanDerWaalsContact O-N 3.09Å; N72-T76 PolarHBondContact O-OG1 2.84Å; I73-T76 PolarHBondContact O-N 3.15Å; A74-T76 VanDerWaalsContact C-N 3.34Å; T76-L78 VanDerWaalsContact C-N 3.29Å; T76-L78 PolarHBondContact O-N 2.99Å; T76-L79 PolarHBondContact O-N 3.42Å; T76-L79 VanDerWaalsContact O-N 3.17Å; T76-V80 HydrophobicContact CG2-CG2 4.39Å; T76-V80 VanDerWaalsContact O-CG2 3.29Å; T76-V80 WeakPolarHBondContact O-CG2 3.29Å; T76-V80 PolarHBondContact O-N 2.96Å; T76-F140 HydrophobicContact CG2-CB 4.27Å; T76-F140 HydrophobicContact CG2-CD1 3.9Å; T76-F140 WeakPolarHBondContact OG1-CB 3.47Å; T76-I143 HydrophobicContact CG2-CB 3.94Å; T76-I143 HydrophobicContact CG2-CG2 3.69Å; T76-Q144 HydrophobicContact CG2-CG 4.14Å; T76-Q144 WeakPolarHBondContact OG1-CG 3.4Å; T76-Q144 PolarHBondContact OG1-NE2 3.13Å
77V98.4Very high97.4Very high78 Ų7846.7 Ų46.747%0.47327%0.271SS..Hα-helixtrans-59.6-43.2178.4170.20000110.5I73 A74 L79 V80 C81I73-V77 HydrophobicContact CG2-CG2 4.24Å; I73-V77 WeakPolarHBondContact O-CG2 3.28Å; I73-V77 PolarHBondContact O-N 3.36Å; A74-V77 PolarHBondContact O-N 2.91Å; V77-L79 PolarHBondContact O-N 3.02Å; V77-V80 PolarHBondContact O-N 3.48Å; V77-C81 PolarHBondContact O-N 3.41Å; V77-C81 PolarHBondContact O-SG 3.41Å
78L98.2Very high97.3Very high51 Ų5148 Ų4827%0.26727%0.272SS..Hα-helixtrans-59.8-44.6175.8-179.6150.3000111.9A74 S75 T76 C81 Y82 W93 A94 L97A74-L78 WeakPolarHBondContact O-CB 3.43Å; A74-L78 PolarHBondContact O-N 3.44Å; S75-L78 PolarHBondContact O-N 3.11Å; T76-L78 VanDerWaalsContact C-N 3.29Å; T76-L78 PolarHBondContact O-N 2.99Å; L78-C81 WeakPolarHBondContact O-CB 3.31Å; L78-C81 PolarHBondContact O-N 2.9Å; L78-Y82 HydrophobicContact CD2-CD2 3.93Å; L78-Y82 HydrophobicContact CD2-CE2 3.76Å; L78-Y82 HydrophobicContact CG-CE2 4.18Å; L78-Y82 WeakPolarHBondContact O-CD2 3.46Å; L78-Y82 PolarHBondContact O-N 3.34Å; L78-W93 HydrophobicContact CD1-CH2 3.98Å; L78-W93 HydrophobicContact CD1-CZ3 3.98Å; L78-W93 HydrophobicContact CD2-CH2 3.92Å; L78-W93 HydrophobicContact CD2-CZ3 3.83Å; L78-W93 HydrophobicContact CG-CH2 4.38Å; L78-A94 HydrophobicContact CD2-CB 3.78Å; L78-L97 HydrophobicContact CD1-CD2 4.03Å; L78-L97 HydrophobicContact CD2-CD2 4.37Å
79L98.1Very high97.2Very high0 Ų054 Ų540%030%0.302CS..Hα-helixtrans-66.1-39.4178-172.561.1000111.9S75 T76 V77 C81 Y82 S83 A90 A94 Y95 Q144 L147S75-L79 WeakPolarHBondContact O-CB 3.32Å; S75-L79 PolarHBondContact O-N 2.73Å; T76-L79 PolarHBondContact O-N 3.42Å; T76-L79 VanDerWaalsContact O-N 3.17Å; V77-L79 PolarHBondContact O-N 3.02Å; L79-C81 VanDerWaalsContact C-N 3.3Å; L79-C81 PolarHBondContact O-N 3.09Å; L79-Y82 PolarHBondContact O-N 3.42Å; L79-S83 PolarHBondContact O-N 2.87Å; L79-A90 HydrophobicContact CD1-CB 3.55Å; L79-A94 HydrophobicContact CD1-CB 4.3Å; L79-Y95 HydrophobicContact CD1-CD1 3.96Å; L79-Y95 HydrophobicContact CD1-CE1 3.73Å; L79-Y95 HydrophobicContact CD2-CD1 4.45Å; L79-Y95 HydrophobicContact CD2-CE1 4.48Å; L79-Q144 HydrophobicContact CD2-CB 4.39Å; L79-Q144 HydrophobicContact CD2-CG 4.48Å; L79-L147 HydrophobicContact CB-CD1 4.24Å; L79-L147 HydrophobicContact CD2-CB 3.79Å; L79-L147 HydrophobicContact CD2-CD1 4.05Å; L79-L147 HydrophobicContact CG-CB 4.08Å; L79-L147 HydrophobicContact CG-CD1 3.84Å
80V97.7Very high97.1Very high55 Ų5553.1 Ų53.133%0.33330%0.298SS..Hα-helixtrans-60.5-38.5172.4171.20000111T76 V77 Y82 S83 P84 I143 L147T76-V80 HydrophobicContact CG2-CG2 4.39Å; T76-V80 VanDerWaalsContact O-CG2 3.29Å; T76-V80 WeakPolarHBondContact O-CG2 3.29Å; T76-V80 PolarHBondContact O-N 2.96Å; V77-V80 PolarHBondContact O-N 3.48Å; V80-Y82 VanDerWaalsContact C-N 3.27Å; V80-Y82 PolarHBondContact O-N 3.44Å; V80-S83 CarbonylContact O-C 3.26Å; V80-S83 VanDerWaalsContact O-C 3.26Å; V80-S83 PolarHBondContact O-N 3.38Å; V80-P84 WeakPolarHBondContact O-CA 3.4Å; V80-P84 WeakPolarHBondContact O-CD 3.42Å; V80-I143 HydrophobicContact CG2-CG2 3.99Å; V80-L147 HydrophobicContact CB-CD1 4.41Å; V80-L147 HydrophobicContact CG2-CD1 3.6Å
81C97.9Very high97.1Very high98 Ų9850 Ų5066%0.66228%0.284SS*.Hα-helixtrans-63.1-32.2176.8-70.20000113V77 L78 L79V77-C81 PolarHBondContact O-N 3.41Å; V77-C81 PolarHBondContact O-SG 3.41Å; L78-C81 WeakPolarHBondContact O-CB 3.31Å; L78-C81 PolarHBondContact O-N 2.9Å; L79-C81 VanDerWaalsContact C-N 3.3Å; L79-C81 PolarHBondContact O-N 3.09Å
82Y97.7Very high97Very high99 Ų9954.6 Ų54.639%0.38830%0.303SS..Hα-helixtrans-80.8-31.7175.9-77-63.8000113.7L78 L79 V80 M88 A90 P91 W93 A94L78-Y82 HydrophobicContact CD2-CD2 3.93Å; L78-Y82 HydrophobicContact CD2-CE2 3.76Å; L78-Y82 HydrophobicContact CG-CE2 4.18Å; L78-Y82 WeakPolarHBondContact O-CD2 3.46Å; L78-Y82 PolarHBondContact O-N 3.34Å; L79-Y82 PolarHBondContact O-N 3.42Å; V80-Y82 VanDerWaalsContact C-N 3.27Å; V80-Y82 PolarHBondContact O-N 3.44Å; Y82-M88 WeakPolarHBondContact O-CE 3.42Å; Y82-A90 HydrophobicContact CG-CB 4.2Å; Y82-P91 HydrophobicContact CD1-CG 4.13Å; Y82-P91 HydrophobicContact CD2-CG 4.17Å; Y82-P91 HydrophobicContact CE1-CG 3.89Å; Y82-P91 HydrophobicContact CE2-CG 3.92Å; Y82-P91 HydrophobicContact CG-CG 4.28Å; Y82-W93 AromaticContact CE2-CH2 3.77Å; Y82-W93 HydrophobicContact CE2-CH2 3.77Å; Y82-W93 AromaticContact CE2-CZ2 3.79Å; Y82-W93 HydrophobicContact CE2-CZ2 3.79Å; Y82-W93 AromaticContact CZ-CZ2 3.78Å; Y82-W93 VanDerWaalsContact OH-CZ2 3.23Å; Y82-W93 WeakPolarHBondContact OH-CZ2 3.49Å; Y82-A94 HydrophobicContact CD2-CB 4.16Å; Y82-A94 HydrophobicContact CE2-CB 4.37Å
83S96.1Very high97Very high0 Ų060.7 Ų60.70%033%0.327CS..  trans-137.365.6-178.2-178.50000111.4L79 V80 D85 G86 M87 M88 L147L79-S83 PolarHBondContact O-N 2.87Å; V80-S83 CarbonylContact O-C 3.26Å; V80-S83 VanDerWaalsContact O-C 3.26Å; V80-S83 PolarHBondContact O-N 3.38Å; S83-D85 PolarHBondContact O-N 2.82Å; S83-D85 VanDerWaalsContact O-N 3.16Å; S83-G86 PolarHBondContact O-N 2.93Å; S83-G86 VanDerWaalsContact OG-CA 3.3Å; S83-G86 WeakPolarHBondContact OG-CA 3.44Å; S83-G86 PolarHBondContact OG-N 2.87Å; S83-M87 PolarHBondContact OG-N 3.24Å; S83-M88 WeakPolarHBondContact CB-O 3.3Å; S83-M88 PolarHBondContact OG-N 3.39Å; S83-M88 PolarHBondContact OG-O 2.91Å; S83-L147 VanDerWaalsContact O-CD2 3.26Å; S83-L147 WeakPolarHBondContact O-CD2 3.49Å
84P95.3Very high97Very high93 Ų9358.4 Ų58.460%0.60432%0.315SS*.THydrogen-bonded Turntrans-60.9-26.1-17823.3-36.7000113.5V80 M88V80-P84 WeakPolarHBondContact O-CA 3.4Å; V80-P84 WeakPolarHBondContact O-CD 3.42Å; P84-M88 VanDerWaalsContact CD-CE 3.44Å; P84-M88 HydrophobicContact CG-CE 3.87Å
85D94.3Very high96.9Very high66 Ų6658.1 Ų58.135%0.35330%0.301SS..THydrogen-bonded Turntrans-91-4.7178.665.4-1.3000113.2S83 M87 M88 G152S83-D85 PolarHBondContact O-N 2.82Å; S83-D85 VanDerWaalsContact O-N 3.16Å; D85-M87 HydrophobicContact CB-CE 3.6Å; D85-M87 PolarHBondContact O-N 3.18Å; D85-M87 PolarHBondContact OD1-N 3.26Å; D85-M87 WeakPolarHBondContact OD2-CE 3.47Å; D85-M88 PolarHBondContact OD1-N 3.12Å; D85-G152 VanDerWaalsContact O-CA 3.3Å; D85-G152 WeakPolarHBondContact O-CA 3.29Å
86G93.6Very high96.9Very high6 Ų663.6 Ų63.66%0.06233%0.33CS..SBendtrans61.620.1-173.200000114.9S83 L147 R150 L151 G152S83-G86 PolarHBondContact O-N 2.93Å; S83-G86 VanDerWaalsContact OG-CA 3.3Å; S83-G86 WeakPolarHBondContact OG-CA 3.44Å; S83-G86 PolarHBondContact OG-N 2.87Å; G86-L147 VanDerWaalsContact CA-CD2 3.44Å; G86-R150 CarbonylContact O-C 3.04Å; G86-R150 WeakPolarHBondContact O-CA 3.42Å; G86-L151 PolarHBondContact O-N 2.89Å; G86-G152 WeakPolarHBondContact O-CA 3.27Å; G86-G152 PolarHBondContact O-N 3.15Å
87M94.9Very high96.9Very high62 Ų6266.4 Ų66.431%0.30534%0.344SS..  trans-118.3-26.7-179.3-61.8-177.8-78.200112.3S83 D85 R150 H153S83-M87 PolarHBondContact OG-N 3.24Å; D85-M87 HydrophobicContact CB-CE 3.6Å; D85-M87 PolarHBondContact O-N 3.18Å; D85-M87 PolarHBondContact OD1-N 3.26Å; D85-M87 WeakPolarHBondContact OD2-CE 3.47Å; M87-R150 VanDerWaalsContact O-CZ 3.32Å; M87-R150 PolarHBondContact O-NE 3.44Å; M87-R150 PolarHBondContact O-NH2 3.37Å; M87-H153 PolarHBondContact SD-CE1 3.39Å; M87-H153 PolarHBondContact SD-ND1 2.81Å
88M95.3Very high96.9Very high86 Ų8662.9 Ų62.942%0.42432%0.323SS..SBendtrans-75.2152.8-179.6-65.6-168.3-69.900112.8Y82 S83 P84 D85Y82-M88 WeakPolarHBondContact O-CE 3.42Å; S83-M88 WeakPolarHBondContact CB-O 3.3Å; S83-M88 PolarHBondContact OG-N 3.39Å; S83-M88 PolarHBondContact OG-O 2.91Å; P84-M88 VanDerWaalsContact CD-CE 3.44Å; P84-M88 HydrophobicContact CG-CE 3.87Å; D85-M88 PolarHBondContact OD1-N 3.12Å
89I96.3Very high96.9Very high126 Ų12663.1 Ų63.165%0.64633%0.332SS*.  trans-88.8115.6175.8-61.6172.4000107.6
90A96.5Very high96.9Very high2 Ų266.4 Ų66.42%0.01735%0.353CS..  trans-74.1157171.200000110.1L79 Y82 A94 Y95L79-A90 HydrophobicContact CD1-CB 3.55Å; Y82-A90 HydrophobicContact CG-CB 4.2Å; A90-A94 HydrophobicContact CB-CB 4.32Å; A90-Y95 HydrophobicContact CB-CE1 4.18Å; A90-Y95 HydrophobicContact CB-CE2 3.98Å; A90-Y95 PolarHBondContact N-OH 3.25Å; A90-Y95 VanDerWaalsContact O-CE2 3.24Å; A90-Y95 WeakPolarHBondContact O-CE2 3.43Å
91P97.5Very high97Very high41 Ų4164.2 Ų64.227%0.26634%0.339SS..  trans-61.4144.5174.827.9-35.7000110.6Y82 W93 A94Y82-P91 HydrophobicContact CD1-CG 4.13Å; Y82-P91 HydrophobicContact CD2-CG 4.17Å; Y82-P91 HydrophobicContact CE1-CG 3.89Å; Y82-P91 HydrophobicContact CE2-CG 3.92Å; Y82-P91 HydrophobicContact CG-CG 4.28Å; P91-W93 HydrophobicContact CB-CG 4.5Å; P91-W93 HydrophobicContact CG-CD2 4.45Å; P91-W93 HydrophobicContact CG-CZ2 3.95Å; P91-W93 PolarHBondContact O-N 3.06Å; P91-W93 VanDerWaalsContact O-N 3.08Å; P91-A94 HydrophobicContact CG-CB 4.16Å; P91-A94 VanDerWaalsContact O-CB 3.3Å; P91-A94 WeakPolarHBondContact O-CB 3.38Å; P91-A94 PolarHBondContact O-N 3.42Å
92Q97.6Very high97Very high171 Ų17162.5 Ų62.580%0.79932%0.323SS*.Hα-helixtrans-54.6-35.7-171.9-69.8-179.2-25.800114.1A94 Y95 L96Q92-A94 PolarHBondContact O-N 2.91Å; Q92-Y95 PolarHBondContact O-N 3.45Å; Q92-L96 PolarHBondContact O-N 2.99Å; Q92-L96 VanDerWaalsContact O-N 3.16Å
93W98.1Very high97Very high128 Ų12863.1 Ų63.149%0.48533%0.328SS..Hα-helixtrans-64.7-26.3178.267.1-102.3000112.9L78 Y82 P91 L96 L97L78-W93 HydrophobicContact CD1-CH2 3.98Å; L78-W93 HydrophobicContact CD1-CZ3 3.98Å; L78-W93 HydrophobicContact CD2-CH2 3.92Å; L78-W93 HydrophobicContact CD2-CZ3 3.83Å; L78-W93 HydrophobicContact CG-CH2 4.38Å; Y82-W93 AromaticContact CE2-CH2 3.77Å; Y82-W93 HydrophobicContact CE2-CH2 3.77Å; Y82-W93 AromaticContact CE2-CZ2 3.79Å; Y82-W93 HydrophobicContact CE2-CZ2 3.79Å; Y82-W93 AromaticContact CZ-CZ2 3.78Å; Y82-W93 VanDerWaalsContact OH-CZ2 3.23Å; Y82-W93 WeakPolarHBondContact OH-CZ2 3.49Å; P91-W93 HydrophobicContact CB-CG 4.5Å; P91-W93 HydrophobicContact CG-CD2 4.45Å; P91-W93 HydrophobicContact CG-CZ2 3.95Å; P91-W93 PolarHBondContact O-N 3.06Å; P91-W93 VanDerWaalsContact O-N 3.08Å; W93-L96 PolarHBondContact O-N 3.2Å; W93-L97 HydrophobicContact CZ3-CD2 4.12Å; W93-L97 WeakPolarHBondContact O-CB 3.19Å; W93-L97 PolarHBondContact O-N 2.87Å
94A97.9Very high97.1Very high0 Ų066 Ų660%034%0.343CS..Hα-helixtrans-69.4-41177.800000110.9L78 L79 Y82 A90 P91 Q92 L97 C98L78-A94 HydrophobicContact CD2-CB 3.78Å; L79-A94 HydrophobicContact CD1-CB 4.3Å; Y82-A94 HydrophobicContact CD2-CB 4.16Å; Y82-A94 HydrophobicContact CE2-CB 4.37Å; A90-A94 HydrophobicContact CB-CB 4.32Å; P91-A94 HydrophobicContact CG-CB 4.16Å; P91-A94 VanDerWaalsContact O-CB 3.3Å; P91-A94 WeakPolarHBondContact O-CB 3.38Å; P91-A94 PolarHBondContact O-N 3.42Å; Q92-A94 PolarHBondContact O-N 2.91Å; A94-L97 WeakPolarHBondContact O-CB 3.31Å; A94-L97 PolarHBondContact O-N 3.49Å; A94-C98 PolarHBondContact O-N 3.25Å; A94-C98 PolarHBondContact O-SG 3.2Å
95Y97.9Very high97.2Very high53 Ų5362.1 Ų62.121%0.20832%0.316CS..Hα-helixtrans-64.5-42.4172.8-59.5-62.2000111.8L79 A90 Q92 L97 C98 A99 S148L79-Y95 HydrophobicContact CD1-CD1 3.96Å; L79-Y95 HydrophobicContact CD1-CE1 3.73Å; L79-Y95 HydrophobicContact CD2-CD1 4.45Å; L79-Y95 HydrophobicContact CD2-CE1 4.48Å; A90-Y95 HydrophobicContact CB-CE1 4.18Å; A90-Y95 HydrophobicContact CB-CE2 3.98Å; A90-Y95 PolarHBondContact N-OH 3.25Å; A90-Y95 VanDerWaalsContact O-CE2 3.24Å; A90-Y95 WeakPolarHBondContact O-CE2 3.43Å; Q92-Y95 PolarHBondContact O-N 3.45Å; Y95-L97 VanDerWaalsContact C-N 3.31Å; Y95-L97 PolarHBondContact O-N 2.87Å; Y95-C98 PolarHBondContact O-N 3.09Å; Y95-A99 PolarHBondContact O-N 3.14Å; Y95-S148 WeakPolarHBondContact CD1-OG 3.47Å
96L98Very high97.3Very high117 Ų11761.3 Ų61.361%0.61331%0.31SS*.Hα-helixtrans-61.5-40.9175.1-178.161.5000111.4Q92 W93 A99 V100Q92-L96 PolarHBondContact O-N 2.99Å; Q92-L96 VanDerWaalsContact O-N 3.16Å; W93-L96 PolarHBondContact O-N 3.2Å; L96-A99 PolarHBondContact O-N 3.17Å; L96-V100 HydrophobicContact CD1-CG2 4.36Å; L96-V100 HydrophobicContact CG-CG2 4.49Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 3.05Å
97L98.3Very high97.5Very high62 Ų6261.6 Ų61.633%0.32531%0.311SS..Hα-helixtrans-61.6-44.1175.1-179.764.8000111.6L78 W93 A94 Y95 A99 V100 T101L78-L97 HydrophobicContact CD1-CD2 4.03Å; L78-L97 HydrophobicContact CD2-CD2 4.37Å; W93-L97 HydrophobicContact CZ3-CD2 4.12Å; W93-L97 WeakPolarHBondContact O-CB 3.19Å; W93-L97 PolarHBondContact O-N 2.87Å; A94-L97 WeakPolarHBondContact O-CB 3.31Å; A94-L97 PolarHBondContact O-N 3.49Å; Y95-L97 VanDerWaalsContact C-N 3.31Å; Y95-L97 PolarHBondContact O-N 2.87Å; L97-A99 PolarHBondContact O-N 2.98Å; L97-V100 PolarHBondContact O-N 3.08Å; L97-T101 HydrophobicContact CD1-CG2 4.09Å; L97-T101 HydrophobicContact CG-CG2 4.43Å; L97-T101 WeakPolarHBondContact O-CB 3.46Å; L97-T101 WeakPolarHBondContact O-CG2 3.25Å; L97-T101 PolarHBondContact O-N 3.46Å; L97-T101 PolarHBondContact O-OG1 3.07Å
98C98.2Very high97.6Very high4 Ų459.5 Ų59.53%0.02730%0.301CS..Hα-helixtrans-58.7-46.4173.3-71.90000111.7A94 Y95 V100 T101 L102 Q144A94-C98 PolarHBondContact O-N 3.25Å; A94-C98 PolarHBondContact O-SG 3.2Å; Y95-C98 PolarHBondContact O-N 3.09Å; C98-V100 PolarHBondContact O-N 3.15Å; C98-T101 WeakPolarHBondContact CA-OG1 3.44Å; C98-T101 PolarHBondContact O-N 3.09Å; C98-T101 PolarHBondContact O-OG1 2.91Å; C98-L102 VanDerWaalsContact O-CB 3.28Å; C98-L102 WeakPolarHBondContact O-CB 3.36Å; C98-L102 PolarHBondContact O-N 3.08Å; C98-Q144 HydrophobicContact CB-CG 4.41Å
99A98.2Very high97.7Very high56 Ų5657.5 Ų57.546%0.46329%0.292SS..Hα-helixtrans-61.3-43.8177.300000112.7Y95 L96 L97 F103Y95-A99 PolarHBondContact O-N 3.14Å; L96-A99 PolarHBondContact O-N 3.17Å; L97-A99 PolarHBondContact O-N 2.98Å; A99-F103 WeakPolarHBondContact O-CB 3.24Å; A99-F103 PolarHBondContact O-N 3.22Å
100V98.4Very high97.7Very high70 Ų7052.3 Ų52.342%0.42427%0.267SS..Hα-helixtrans-65.7-44.9177.3169.90000111.2L96 L97 C98 F103 I104L96-V100 HydrophobicContact CD1-CG2 4.36Å; L96-V100 HydrophobicContact CG-CG2 4.49Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 3.05Å; L97-V100 PolarHBondContact O-N 3.08Å; C98-V100 PolarHBondContact O-N 3.15Å; V100-F103 PolarHBondContact O-N 2.88Å; V100-I104 HydrophobicContact CG1-CD1 3.87Å; V100-I104 HydrophobicContact CG1-CG1 4.49Å; V100-I104 VanDerWaalsContact O-CG1 3.31Å; V100-I104 WeakPolarHBondContact O-CG1 3.33Å; V100-I104 PolarHBondContact O-N 2.9Å
101T98.2Very high97.7Very high8 Ų852.2 Ų52.25%0.04927%0.267CS..Hα-helixtrans-67.6-35.9178.851.20000112.6L71 S75 L97 C98 I104 Y105L71-T101 HydrophobicContact CB-CG2 4.32Å; S75-T101 WeakPolarHBondContact CB-OG1 3.4Å; S75-T101 PolarHBondContact OG-OG1 3.1Å; L97-T101 HydrophobicContact CD1-CG2 4.09Å; L97-T101 HydrophobicContact CG-CG2 4.43Å; L97-T101 WeakPolarHBondContact O-CB 3.46Å; L97-T101 WeakPolarHBondContact O-CG2 3.25Å; L97-T101 PolarHBondContact O-N 3.46Å; L97-T101 PolarHBondContact O-OG1 3.07Å; C98-T101 WeakPolarHBondContact CA-OG1 3.44Å; C98-T101 PolarHBondContact O-N 3.09Å; C98-T101 PolarHBondContact O-OG1 2.91Å; T101-I104 PolarHBondContact O-N 2.57Å; T101-Y105 WeakPolarHBondContact O-CB 3.29Å; T101-Y105 PolarHBondContact O-N 2.87Å
102L98.1Very high97.7Very high63 Ų6350.6 Ų50.633%0.3326%0.256SS..Hα-helixtrans-61.7-44.1169.8174.360.7000111.5C98 I104 Y105 Q106 I141C98-L102 VanDerWaalsContact O-CB 3.28Å; C98-L102 WeakPolarHBondContact O-CB 3.36Å; C98-L102 PolarHBondContact O-N 3.08Å; L102-I104 VanDerWaalsContact C-N 3.34Å; L102-I104 PolarHBondContact O-N 3.28Å; L102-Y105 WeakPolarHBondContact O-CB 3.23Å; L102-Y105 PolarHBondContact O-N 3.35Å; L102-Q106 PolarHBondContact O-N 3.37Å; L102-I141 HydrophobicContact CD1-CD1 3.46Å; L102-I141 VanDerWaalsContact CD1-CD1 3.46Å; L102-I141 HydrophobicContact CD1-CG1 3.82Å; L102-I141 HydrophobicContact CD1-CG2 4.18Å
103F97.9Very high97.6Very high111 Ų11143.5 Ų43.549%0.48723%0.229SC..Hα-helixtrans-64.2-38.9176.7-179-99.7000112.3F47 A99 V100 Q106 T107F47-F103 HydrophobicContact CE1-CZ 4.05Å; F47-F103 HydrophobicContact CZ-CE1 4.14Å; F47-F103 AromaticContact CZ-CZ 3.78Å; F47-F103 HydrophobicContact CZ-CZ 3.78Å; A99-F103 WeakPolarHBondContact O-CB 3.24Å; A99-F103 PolarHBondContact O-N 3.22Å; V100-F103 PolarHBondContact O-N 2.88Å; F103-Q106 WeakPolarHBondContact O-CG 3.25Å; F103-Q106 PolarHBondContact O-NE2 3.23Å; F103-T107 WeakPolarHBondContact O-CB 3.33Å; F103-T107 PolarHBondContact O-N 3.02Å; F103-T107 PolarHBondContact O-OG1 2.82Å
104I98.1Very high97.4Very high60 Ų6038.5 Ų38.531%0.30821%0.211SC..Hα-helixtrans-64.8-45172.9-68.4166.1000110.1L71 V100 T101 L102 T107 L108L71-I104 HydrophobicContact CD1-CG2 3.76Å; V100-I104 HydrophobicContact CG1-CD1 3.87Å; V100-I104 HydrophobicContact CG1-CG1 4.49Å; V100-I104 VanDerWaalsContact O-CG1 3.31Å; V100-I104 WeakPolarHBondContact O-CG1 3.33Å; V100-I104 PolarHBondContact O-N 2.9Å; T101-I104 PolarHBondContact O-N 2.57Å; L102-I104 VanDerWaalsContact C-N 3.34Å; L102-I104 PolarHBondContact O-N 3.28Å; I104-T107 WeakPolarHBondContact O-CB 3.35Å; I104-T107 PolarHBondContact O-N 2.87Å; I104-T107 VanDerWaalsContact O-N 3.14Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.06Å; I104-L108 WeakPolarHBondContact O-CG 3.43Å; I104-L108 PolarHBondContact O-N 3.34Å
105Y98.4Very high97.4Very high13 Ų1338.5 Ų38.55%0.05121%0.211CC..Hα-helixtrans-53.2-58.9178.6-179.6-88000111.3G68 L69 N72 T101 L102 T107 L108 D109 D134 S137G68-Y105 VanDerWaalsContact C-CD2 3.47Å; L69-Y105 HydrophobicContact CB-CE2 4.47Å; N72-Y105 HydrophobicContact CB-CD2 4.13Å; T101-Y105 WeakPolarHBondContact O-CB 3.29Å; T101-Y105 PolarHBondContact O-N 2.87Å; L102-Y105 WeakPolarHBondContact O-CB 3.23Å; L102-Y105 PolarHBondContact O-N 3.35Å; Y105-T107 PolarHBondContact O-N 3.45Å; Y105-T107 VanDerWaalsContact O-N 3.17Å; Y105-L108 PolarHBondContact O-N 3.04Å; Y105-L108 VanDerWaalsContact O-N 3.08Å; Y105-D109 HydrophobicContact CE1-CB 4.32Å; Y105-D109 VanDerWaalsContact O-CB 3.31Å; Y105-D109 WeakPolarHBondContact O-CB 3.33Å; Y105-D109 PolarHBondContact O-N 3.35Å; Y105-D134 WeakPolarHBondContact CE1-OD1 3.23Å; Y105-D134 VanDerWaalsContact OH-CA 3.25Å; Y105-D134 WeakPolarHBondContact OH-CA 3.49Å; Y105-D134 PolarHBondContact OH-N 2.55Å; Y105-D134 PolarHBondContact OH-OD1 3.26Å; Y105-S137 WeakPolarHBondContact CD2-OG 3.48Å; Y105-S137 WeakPolarHBondContact CE1-OG 3.38Å; Y105-S137 VanDerWaalsContact CE2-CB 3.46Å; Y105-S137 WeakPolarHBondContact CE2-OG 3.43Å; Y105-S137 VanDerWaalsContact OH-CB 3.24Å; Y105-S137 WeakPolarHBondContact OH-CB 3.42Å
106Q96Very high97.4Very high49 Ų4936.5 Ų36.523%0.22921%0.205CC..Hα-helixtrans-62.2-28.4-179.269.775.834.500112.7L102 F103 A110L102-Q106 PolarHBondContact O-N 3.37Å; F103-Q106 WeakPolarHBondContact O-CG 3.25Å; F103-Q106 PolarHBondContact O-NE2 3.23Å; Q106-A110 WeakPolarHBondContact O-CB 3.49Å; Q106-A110 PolarHBondContact O-N 2.74Å; Q106-A110 VanDerWaalsContact O-N 3.1Å
107T97.4Very high97.3Very high12 Ų1235.8 Ų35.87%0.07419%0.194CC..Hα-helixtrans-70.5-43.9176.4-59.40000111.1F47 V51 F103 I104 Y105 A111F47-T107 HydrophobicContact CE1-CG2 3.8Å; F47-T107 HydrophobicContact CZ-CG2 4.03Å; V51-T107 HydrophobicContact CB-CG2 4.3Å; V51-T107 HydrophobicContact CG1-CG2 3.78Å; V51-T107 HydrophobicContact CG2-CG2 4.06Å; F103-T107 WeakPolarHBondContact O-CB 3.33Å; F103-T107 PolarHBondContact O-N 3.02Å; F103-T107 PolarHBondContact O-OG1 2.82Å; I104-T107 WeakPolarHBondContact O-CB 3.35Å; I104-T107 PolarHBondContact O-N 2.87Å; I104-T107 VanDerWaalsContact O-N 3.14Å; Y105-T107 PolarHBondContact O-N 3.45Å; Y105-T107 VanDerWaalsContact O-N 3.17Å; T107-A111 WeakPolarHBondContact O-CB 3.46Å; T107-A111 PolarHBondContact O-N 3.34Å
108L98Very high97.2Very high18 Ų1837 Ų379%0.09419%0.194CC..Hα-helixtrans-70.8-40.8-179.4-68.5-179.8000111.7F55 L64 I104 Y105 A111 D112F55-L108 HydrophobicContact CE2-CD2 4.1Å; F55-L108 HydrophobicContact CZ-CD2 3.59Å; L64-L108 HydrophobicContact CB-CD2 4.49Å; L64-L108 HydrophobicContact CD2-CD2 4.24Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.06Å; I104-L108 WeakPolarHBondContact O-CG 3.43Å; I104-L108 PolarHBondContact O-N 3.34Å; Y105-L108 PolarHBondContact O-N 3.04Å; Y105-L108 VanDerWaalsContact O-N 3.08Å; L108-A111 CarbonylContact O-C 3.57Å; L108-A111 PolarHBondContact O-N 3.22Å; L108-A111 VanDerWaalsContact O-N 3.15Å; L108-D112 PolarHBondContact O-N 3.25Å
109D97.1Very high97.1Very high43 Ų4338.4 Ų38.423%0.2320%0.203CC..Hα-helixtrans-52.6-57.5170.2173.766.4000110.8Y105 A111 D112Y105-D109 HydrophobicContact CE1-CB 4.32Å; Y105-D109 VanDerWaalsContact O-CB 3.31Å; Y105-D109 WeakPolarHBondContact O-CB 3.33Å; Y105-D109 PolarHBondContact O-N 3.35Å; D109-A111 PolarHBondContact O-N 3.31Å; D109-A111 VanDerWaalsContact O-N 3.08Å; D109-D112 VanDerWaalsContact O-CG 3.23Å; D109-D112 PolarHBondContact O-N 2.77Å
110A95.2Very high96.9Very high17 Ų1743.8 Ų43.814%0.1422%0.219CC..Hα-helixtrans-63.9-23.9177.500000114.5W48 Q106 K114W48-A110 HydrophobicContact CB-CB 4.48Å; W48-A110 HydrophobicContact CD2-CB 3.49Å; W48-A110 VanDerWaalsContact CD2-CB 3.49Å; W48-A110 HydrophobicContact CE3-CB 4.09Å; W48-A110 HydrophobicContact CG-CB 3.68Å; W48-A110 HydrophobicContact CH2-CB 4.37Å; W48-A110 HydrophobicContact CZ2-CB 3.81Å; W48-A110 HydrophobicContact CZ3-CB 4.5Å; Q106-A110 WeakPolarHBondContact O-CB 3.49Å; Q106-A110 PolarHBondContact O-N 2.74Å; Q106-A110 VanDerWaalsContact O-N 3.1Å; A110-K114 WeakPolarHBondContact O-CD 3.41Å; A110-K114 WeakPolarHBondContact O-CG 3.36Å; A110-K114 PolarHBondContact O-NZ 3.22Å
111A96.8Very high96.7Very high0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-84.8-26.7-18000000113.1V52 F55 T107 L108 D109 K114 Q115V52-A111 HydrophobicContact CB-CB 4.36Å; V52-A111 WeakPolarHBondContact CG2-O 3.39Å; F55-A111 HydrophobicContact CE2-CB 4.38Å; T107-A111 WeakPolarHBondContact O-CB 3.46Å; T107-A111 PolarHBondContact O-N 3.34Å; L108-A111 CarbonylContact O-C 3.57Å; L108-A111 PolarHBondContact O-N 3.22Å; L108-A111 VanDerWaalsContact O-N 3.15Å; D109-A111 PolarHBondContact O-N 3.31Å; D109-A111 VanDerWaalsContact O-N 3.08Å; A111-K114 WeakPolarHBondContact O-CB 3.41Å; A111-K114 PolarHBondContact O-N 2.87Å; A111-Q115 WeakPolarHBondContact O-CB 3.43Å; A111-Q115 PolarHBondContact O-N 2.86Å
112D97.4Very high96.4Very high7 Ų746.9 Ų46.94%0.03724%0.241CC..Hα-helixtrans-68.5-43.2-17468.523.1000112.6P61 L64 T65 L108 D109 K114 Q115 A116P61-D112 HydrophobicContact CB-CB 4.39Å; P61-D112 WeakPolarHBondContact CB-O 3.46Å; L64-D112 HydrophobicContact CB-CB 4.09Å; L64-D112 HydrophobicContact CD1-CB 4.43Å; T65-D112 WeakPolarHBondContact CB-OD2 3.44Å; T65-D112 PolarHBondContact OG1-OD2 3.48Å; L108-D112 PolarHBondContact O-N 3.25Å; D109-D112 VanDerWaalsContact O-CG 3.23Å; D109-D112 PolarHBondContact O-N 2.77Å; D112-K114 VanDerWaalsContact C-N 3.28Å; D112-K114 PolarHBondContact O-N 3Å; D112-Q115 CarbonylContact O-C 3.51Å; D112-Q115 WeakPolarHBondContact O-CB 3.28Å; D112-Q115 PolarHBondContact O-N 3.46Å; D112-Q115 VanDerWaalsContact O-N 3.13Å; D112-A116 WeakPolarHBondContact O-CB 3.43Å; D112-A116 PolarHBondContact O-N 3.01Å
113G95.2Very high96.1Very high23 Ų2346.6 Ų46.624%0.23724%0.244CC..Hα-helixtrans-67.9-33.2175.600000111.2R117G113-R117 WeakPolarHBondContact O-CG 3.44Å; G113-R117 VanDerWaalsContact O-CZ 3.27Å; G113-R117 PolarHBondContact O-N 2.92Å; G113-R117 VanDerWaalsContact O-N 3.15Å; G113-R117 PolarHBondContact O-NH1 2.94Å
114K95.9Very high95.7Very high22 Ų2242.9 Ų42.910%0.09623%0.231CC..Hα-helixtrans-66.3-42.7171.9-70.3175.4174.965.80110.8W48 N49 V52 A110 A111 D112 R117 R118W48-K114 HydrophobicContact CB-CD 3.91Å; N49-K114 WeakPolarHBondContact OD1-CD 3.33Å; N49-K114 WeakPolarHBondContact OD1-CE 3.38Å; V52-K114 HydrophobicContact CB-CB 4.12Å; V52-K114 HydrophobicContact CG1-CB 4.01Å; V52-K114 HydrophobicContact CG1-CD 4.42Å; V52-K114 HydrophobicContact CG2-CB 3.9Å; A110-K114 WeakPolarHBondContact O-CD 3.41Å; A110-K114 WeakPolarHBondContact O-CG 3.36Å; A110-K114 PolarHBondContact O-NZ 3.22Å; A111-K114 WeakPolarHBondContact O-CB 3.41Å; A111-K114 PolarHBondContact O-N 2.87Å; D112-K114 VanDerWaalsContact C-N 3.28Å; D112-K114 PolarHBondContact O-N 3Å; K114-R117 PolarHBondContact O-N 2.97Å; K114-R118 WeakPolarHBondContact O-CG 3.38Å; K114-R118 PolarHBondContact O-N 3.22Å
115Q97.6Very high95.4Very high0 Ų046.1 Ų46.10%025%0.248CC..Hα-helixtrans-64.8-42.9177.2-171.969.7-24.500110.4V52 P56 V59 P61 L64 A111 D112 R117 R118 T119V52-Q115 HydrophobicContact CG2-CB 3.78Å; P56-Q115 PolarHBondContact O-NE2 3.49Å; P56-Q115 VanDerWaalsContact O-NE2 3.09Å; V59-Q115 PolarHBondContact O-NE2 2.92Å; P61-Q115 HydrophobicContact CG-CB 4.38Å; P61-Q115 HydrophobicContact CG-CG 4.3Å; L64-Q115 HydrophobicContact CD1-CB 4Å; L64-Q115 HydrophobicContact CD1-CG 4.23Å; A111-Q115 WeakPolarHBondContact O-CB 3.43Å; A111-Q115 PolarHBondContact O-N 2.86Å; D112-Q115 CarbonylContact O-C 3.51Å; D112-Q115 WeakPolarHBondContact O-CB 3.28Å; D112-Q115 PolarHBondContact O-N 3.46Å; D112-Q115 VanDerWaalsContact O-N 3.13Å; Q115-R117 PolarHBondContact O-N 3.47Å; Q115-R118 WeakPolarHBondContact O-CB 3.41Å; Q115-R118 PolarHBondContact O-N 3.4Å; Q115-T119 HydrophobicContact CG-CG2 4.3Å; Q115-T119 PolarHBondContact O-N 3.39Å; Q115-T119 PolarHBondContact O-OG1 3.34Å
116A97.2Very high95.2Very high11 Ų1146 Ų469%0.09125%0.251CS..Hα-helixtrans-59.7-31.8176.900000112.8P61 D112 Q120 T121 S122P61-A116 HydrophobicContact CB-CB 3.97Å; P61-A116 VanDerWaalsContact CG-CA 3.47Å; P61-A116 HydrophobicContact CG-CB 3.62Å; D112-A116 WeakPolarHBondContact O-CB 3.43Å; D112-A116 PolarHBondContact O-N 3.01Å; A116-Q120 PolarHBondContact O-N 3.32Å; A116-T121 CarbonylContact O-C 3.57Å; A116-T121 PolarHBondContact O-N 3.02Å; A116-S122 VanDerWaalsContact C-OG 3.23Å; A116-S122 PolarHBondContact O-N 2.92Å; A116-S122 VanDerWaalsContact O-N 3.09Å; A116-S122 PolarHBondContact O-OG 3.35Å; A116-S122 VanDerWaalsContact O-OG 3.05Å
117R95.5Very high95Very high102 Ų10245.5 Ų45.539%0.38525%0.249SC..Hα-helixtrans-75.2-42.5171.7-70.8-176.6-67.2-89.66.1111.9G113 K114 Q115 T119 Q120 S122G113-R117 WeakPolarHBondContact O-CG 3.44Å; G113-R117 VanDerWaalsContact O-CZ 3.27Å; G113-R117 PolarHBondContact O-N 2.92Å; G113-R117 VanDerWaalsContact O-N 3.15Å; G113-R117 PolarHBondContact O-NH1 2.94Å; K114-R117 PolarHBondContact O-N 2.97Å; Q115-R117 PolarHBondContact O-N 3.47Å; R117-T119 PolarHBondContact O-N 2.93Å; R117-Q120 PolarHBondContact O-N 3.2Å; R117-Q120 PolarHBondContact O-NE2 3.48Å; R117-S122 PolarHBondContact N-OG 2.93Å
118R96.1Very high94.8Very high88 Ų8850.5 Ų50.533%0.33227%0.274SS..Hα-helixtrans-61.5-41.4176.9-71.6175.480.7-130.28.2112.4V52 D53 F55 K114 Q115 Q120V52-R118 PolarHBondContact O-NH1 2.95Å; D53-R118 IonicContact OD1-CZ 3.21Å; D53-R118 IonicContact OD1-NE 3.06Å; D53-R118 PolarHBondContact OD1-NE 3.02Å; D53-R118 IonicContact OD1-NH2 2.91Å; D53-R118 PolarHBondContact OD1-NH2 3.27Å; F55-R118 PolarHBondContact O-NH1 2.86Å; K114-R118 WeakPolarHBondContact O-CG 3.38Å; K114-R118 PolarHBondContact O-N 3.22Å; Q115-R118 WeakPolarHBondContact O-CB 3.41Å; Q115-R118 PolarHBondContact O-N 3.4Å; R118-Q120 VanDerWaalsContact C-N 3.33Å
119T96.4Very high94.6Very high33 Ų3353 Ų5320%0.20229%0.285CS..THydrogen-bonded Turntrans-86.8-1.6-18056.30000113.4L57 Q115 R117 T121L57-T119 HydrophobicContact CB-CG2 4.46Å; L57-T119 HydrophobicContact CD2-CG2 4.17Å; L57-T119 WeakPolarHBondContact O-CG2 3.26Å; Q115-T119 HydrophobicContact CG-CG2 4.3Å; Q115-T119 PolarHBondContact O-N 3.39Å; Q115-T119 PolarHBondContact O-OG1 3.34Å; R117-T119 PolarHBondContact O-N 2.93Å; T119-T121 PolarHBondContact O-N 3.03Å; T119-T121 PolarHBondContact OG1-OG1 2.74Å
120Q94.7Very high94.6Very high170 Ų17052 Ų5279%0.79428%0.279SS*.THydrogen-bonded Turntrans55.933.8-175.5-59.1-70.3-61.600113A116 R117 R118A116-Q120 PolarHBondContact O-N 3.32Å; R117-Q120 PolarHBondContact O-N 3.2Å; R117-Q120 PolarHBondContact O-NE2 3.48Å; R118-Q120 VanDerWaalsContact C-N 3.33Å
121T94.1Very high94.6Very high75 Ų7552.7 Ų52.746%0.4628%0.279SS..  trans-113.623.5178.659.80000112.3A116 T119 S123A116-T121 CarbonylContact O-C 3.57Å; A116-T121 PolarHBondContact O-N 3.02Å; T119-T121 PolarHBondContact O-N 3.03Å; T119-T121 PolarHBondContact OG1-OG1 2.74Å; T121-S123 PolarHBondContact O-N 3.36Å
122S92.2Very high94.5Very high68 Ų6854.4 Ų54.448%0.47630%0.297SS..  trans-62.8126.1173.5-60.40000109.5A116 R117A116-S122 VanDerWaalsContact C-OG 3.23Å; A116-S122 PolarHBondContact O-N 2.92Å; A116-S122 VanDerWaalsContact O-N 3.09Å; A116-S122 PolarHBondContact O-OG 3.35Å; A116-S122 VanDerWaalsContact O-OG 3.05Å; R117-S122 PolarHBondContact N-OG 2.93Å
123S91.7Very high94.6Very high56 Ų5654.3 Ų54.339%0.39230%0.297SS..  trans-148.4151.5-178.766.80000111.4T121 L125 G126 E127T121-S123 PolarHBondContact O-N 3.36Å; S123-L125 PolarHBondContact O-N 2.88Å; S123-G126 PolarHBondContact O-N 2.97Å; S123-G126 PolarHBondContact OG-N 2.98Å; S123-G126 VanDerWaalsContact OG-N 3.11Å; S123-E127 PolarHBondContact O-N 3.07Å; S123-E127 VanDerWaalsContact O-N 3.07Å
124P89.8Confident94.6Very high34 Ų3454.5 Ų54.522%0.22129%0.293CS..Hα-helixtrans-57.8-31174.3-26.135.1000113.3L26 H29 L128L26-P124 HydrophobicContact CD1-CB 4.43Å; L26-P124 VanDerWaalsContact O-CG 3.27Å; L26-P124 WeakPolarHBondContact O-CG 3.38Å; H29-P124 HydrophobicContact CB-CB 4.28Å; H29-P124 HydrophobicContact CB-CG 4.01Å; P124-L128 WeakPolarHBondContact O-CB 3.24Å; P124-L128 PolarHBondContact O-N 3.29Å
125L90.6Very high94.7Very high127 Ų12755.2 Ų55.267%0.66530%0.303SS*.Hα-helixtrans-70.9-38.9175.9-179.462.7000112.1S123 F129S123-L125 PolarHBondContact O-N 2.88Å; L125-F129 VanDerWaalsContact O-CB 3.28Å; L125-F129 WeakPolarHBondContact O-CB 3.36Å; L125-F129 PolarHBondContact O-N 3.25Å
126G93.7Very high94.7Very high12 Ų1259.9 Ų59.912%0.12433%0.327CS..Hα-helixtrans-62.6-46.2174.500000111.5S123 F129 D130S123-G126 PolarHBondContact O-N 2.97Å; S123-G126 PolarHBondContact OG-N 2.98Å; S123-G126 VanDerWaalsContact OG-N 3.11Å; G126-F129 WeakPolarHBondContact O-CB 3.37Å; G126-F129 PolarHBondContact O-N 3.23Å; G126-D130 WeakPolarHBondContact O-CB 3.32Å; G126-D130 PolarHBondContact O-N 3.49Å
127E92.4Very high94.7Very high38 Ų3859.3 Ų59.318%0.17832%0.323CS..Hα-helixtrans-61.2-44.3175.7-177.1-179.3170.600112.4H29 Y31 S123 F129 D130 H131H29-E127 IonicContact CD2-OE2 3.37Å; H29-E127 PolarHBondContact CD2-OE2 2.85Å; H29-E127 IonicContact NE2-OE1 3.04Å; H29-E127 PolarHBondContact NE2-OE1 3.32Å; H29-E127 VanDerWaalsContact NE2-OE1 3.14Å; H29-E127 IonicContact NE2-OE2 3.81Å; H29-E127 PolarHBondContact NE2-OE2 2.91Å; Y31-E127 HydrophobicContact CD2-CG 4.13Å; S123-E127 PolarHBondContact O-N 3.07Å; S123-E127 VanDerWaalsContact O-N 3.07Å; E127-F129 VanDerWaalsContact C-N 3.3Å; E127-F129 PolarHBondContact O-N 2.82Å; E127-D130 PolarHBondContact O-N 3.31Å; E127-H131 PolarHBondContact O-CD2 2.67Å; E127-H131 PolarHBondContact O-N 2.95Å; E127-H131 VanDerWaalsContact O-N 3.09Å
128L92.4Very high94.7Very high116 Ų11656.3 Ų56.361%0.60731%0.313SS*.Hα-helixtrans-62.6-38.5174.6178.863.8000112.2P124 G132P124-L128 WeakPolarHBondContact O-CB 3.24Å; P124-L128 PolarHBondContact O-N 3.29Å; L128-G132 PolarHBondContact O-N 2.99Å
129F95.5Very high94.8Very high71 Ų7154 Ų5431%0.31131%0.309SS..Hα-helixtrans-68.1-42.9179.9-177.6-95.6000111.9N62 T65 I66 L125 G126 E127 G132 C133N62-F129 HydrophobicContact CB-CD1 3.87Å; N62-F129 HydrophobicContact CB-CE1 3.9Å; T65-F129 HydrophobicContact CG2-CD1 4.27Å; T65-F129 HydrophobicContact CG2-CE1 4.15Å; I66-F129 HydrophobicContact CD1-CE1 4.08Å; I66-F129 HydrophobicContact CD1-CZ 3.7Å; I66-F129 HydrophobicContact CG1-CE1 3.71Å; I66-F129 HydrophobicContact CG1-CZ 3.51Å; L125-F129 VanDerWaalsContact O-CB 3.28Å; L125-F129 WeakPolarHBondContact O-CB 3.36Å; L125-F129 PolarHBondContact O-N 3.25Å; G126-F129 WeakPolarHBondContact O-CB 3.37Å; G126-F129 PolarHBondContact O-N 3.23Å; E127-F129 VanDerWaalsContact C-N 3.3Å; E127-F129 PolarHBondContact O-N 2.82Å; F129-G132 PolarHBondContact O-N 2.98Å; F129-C133 PolarHBondContact O-N 2.78Å; F129-C133 PolarHBondContact O-SG 2.96Å
130D96.2Very high94.8Very high22 Ų2254.9 Ų54.912%0.11831%0.31CS..Hα-helixtrans-56.5-60.3174.3176.430.5000111.5G126 E127 G132 C133 D134G126-D130 WeakPolarHBondContact O-CB 3.32Å; G126-D130 PolarHBondContact O-N 3.49Å; E127-D130 PolarHBondContact O-N 3.31Å; D130-G132 PolarHBondContact O-N 2.81Å; D130-G132 VanDerWaalsContact O-N 3.15Å; D130-C133 CarbonylContact O-C 3.52Å; D130-C133 WeakPolarHBondContact O-CA 3.03Å; D130-C133 WeakPolarHBondContact O-CB 3.36Å; D130-C133 PolarHBondContact O-N 3.21Å; D130-D134 PolarHBondContact O-N 3.31Å
131H94.8Very high95Very high31 Ų3148.3 Ų48.314%0.14428%0.28CS..Hα-helixtrans-61.6-30.7178.4-65.3-30.5000113.9E127 D134 A135 F169 H173E127-H131 PolarHBondContact O-CD2 2.67Å; E127-H131 PolarHBondContact O-N 2.95Å; E127-H131 VanDerWaalsContact O-N 3.09Å; H131-D134 IonicContact ND1-OD2 3.92Å; H131-D134 PolarHBondContact O-N 3.19Å; H131-A135 PolarHBondContact O-N 3.44Å; H131-F169 WeakPolarHBondContact O-CZ 3.49Å; H131-H173 AromaticContact CD2-NE2 3.68Å; H131-H173 AromaticContact CG-NE2 3.32Å; H131-H173 VanDerWaalsContact CG-NE2 3.32Å; H131-H173 AromaticContact ND1-NE2 3.6Å
132G95.8Very high95.1Very high36 Ų3645 Ų4537%0.37126%0.26SS..Hα-helixtrans-64.3-39.8171.400000112.5L128 F129 D130 L136L128-G132 PolarHBondContact O-N 2.99Å; F129-G132 PolarHBondContact O-N 2.98Å; D130-G132 PolarHBondContact O-N 2.81Å; D130-G132 VanDerWaalsContact O-N 3.15Å; G132-L136 WeakPolarHBondContact O-CG 3.48Å; G132-L136 PolarHBondContact O-N 3.01Å
133C98.1Very high95.3Very high6 Ų644.7 Ų44.74%0.04125%0.252CS..Hα-helixtrans-68.6-39173.8-66.90000111.6T65 L69 F129 D130 A135 L136 S137T65-C133 HydrophobicContact CG2-CB 3.6Å; L69-C133 HydrophobicContact CD2-CB 4.15Å; F129-C133 PolarHBondContact O-N 2.78Å; F129-C133 PolarHBondContact O-SG 2.96Å; D130-C133 CarbonylContact O-C 3.52Å; D130-C133 WeakPolarHBondContact O-CA 3.03Å; D130-C133 WeakPolarHBondContact O-CB 3.36Å; D130-C133 PolarHBondContact O-N 3.21Å; C133-A135 PolarHBondContact O-N 3.39Å; C133-L136 PolarHBondContact O-N 3.41Å; C133-S137 VanDerWaalsContact O-CB 3.23Å; C133-S137 WeakPolarHBondContact O-CB 3.39Å; C133-S137 PolarHBondContact O-N 3.21Å
134D97.1Very high95.5Very high27 Ų2742.4 Ų42.414%0.14424%0.235CC..Hα-helixtrans-58.7-45.5173.6-84-20.1000113.1Y105 D130 H131 L136 S137 Q138 F169Y105-D134 WeakPolarHBondContact CE1-OD1 3.23Å; Y105-D134 VanDerWaalsContact OH-CA 3.25Å; Y105-D134 WeakPolarHBondContact OH-CA 3.49Å; Y105-D134 PolarHBondContact OH-N 2.55Å; Y105-D134 PolarHBondContact OH-OD1 3.26Å; D130-D134 PolarHBondContact O-N 3.31Å; H131-D134 IonicContact ND1-OD2 3.92Å; H131-D134 PolarHBondContact O-N 3.19Å; D134-L136 VanDerWaalsContact C-N 3.27Å; D134-L136 PolarHBondContact O-N 2.98Å; D134-S137 PolarHBondContact O-N 3.01Å; D134-Q138 VanDerWaalsContact O-CB 3.29Å; D134-Q138 WeakPolarHBondContact O-CB 3.19Å; D134-Q138 PolarHBondContact O-N 3.23Å; D134-F169 HydrophobicContact CB-CE2 3.61Å; D134-F169 HydrophobicContact CB-CZ 3.73Å
135A96.5Very high95.8Very high37 Ų3743.4 Ų43.431%0.30624%0.238SC..Hα-helixtrans-59.1-40.7177.200000111.8H131 C133 F169H131-A135 PolarHBondContact O-N 3.44Å; C133-A135 PolarHBondContact O-N 3.39Å; A135-F169 HydrophobicContact CB-CD1 4.21Å; A135-F169 HydrophobicContact CB-CE1 3.64Å; A135-F169 HydrophobicContact CB-CZ 4.06Å
136L97.1Very high96.1Very high97 Ų9737.7 Ų37.751%0.50821%0.209SC..Hα-helixtrans-68.6-49.8175-68.4175.2000111.2L69 G132 C133 D134 Q138 T139 F140L69-L136 HydrophobicContact CD1-CB 4.2Å; L69-L136 HydrophobicContact CD2-CD1 4.42Å; G132-L136 WeakPolarHBondContact O-CG 3.48Å; G132-L136 PolarHBondContact O-N 3.01Å; C133-L136 PolarHBondContact O-N 3.41Å; D134-L136 VanDerWaalsContact C-N 3.27Å; D134-L136 PolarHBondContact O-N 2.98Å; L136-Q138 VanDerWaalsContact C-N 3.28Å; L136-Q138 PolarHBondContact O-N 3.41Å; L136-T139 WeakPolarHBondContact O-CB 3.46Å; L136-T139 PolarHBondContact O-N 3.35Å; L136-F140 WeakPolarHBondContact O-CD2 3.49Å; L136-F140 PolarHBondContact O-N 2.93Å
137S97.9Very high96.2Very high0 Ų037.9 Ų37.90%021%0.207CC..Hα-helixtrans-57.3-42-178.3-172.30000111.7N72 Y105 C133 D134 T139 F140 I141N72-S137 PolarHBondContact ND2-O 2.74Å; N72-S137 PolarHBondContact ND2-OG 2.9Å; Y105-S137 WeakPolarHBondContact CD2-OG 3.48Å; Y105-S137 WeakPolarHBondContact CE1-OG 3.38Å; Y105-S137 VanDerWaalsContact CE2-CB 3.46Å; Y105-S137 WeakPolarHBondContact CE2-OG 3.43Å; Y105-S137 VanDerWaalsContact OH-CB 3.24Å; Y105-S137 WeakPolarHBondContact OH-CB 3.42Å; C133-S137 VanDerWaalsContact O-CB 3.23Å; C133-S137 WeakPolarHBondContact O-CB 3.39Å; C133-S137 PolarHBondContact O-N 3.21Å; D134-S137 PolarHBondContact O-N 3.01Å; S137-T139 PolarHBondContact O-N 3.16Å; S137-F140 PolarHBondContact O-N 3.41Å; S137-I141 WeakPolarHBondContact O-CG1 3.4Å; S137-I141 PolarHBondContact O-N 3.04Å
138Q96.6Very high96.3Very high39 Ų3938.6 Ų38.618%0.18222%0.216CC..Hα-helixtrans-53.2-41174.7-177.5-171.839.700112.4D134 L136 I141 T142 A165D134-Q138 VanDerWaalsContact O-CB 3.29Å; D134-Q138 WeakPolarHBondContact O-CB 3.19Å; D134-Q138 PolarHBondContact O-N 3.23Å; L136-Q138 VanDerWaalsContact C-N 3.28Å; L136-Q138 PolarHBondContact O-N 3.41Å; Q138-I141 PolarHBondContact O-N 3.37Å; Q138-T142 WeakPolarHBondContact O-CB 3.5Å; Q138-T142 PolarHBondContact O-N 2.94Å; Q138-T142 PolarHBondContact O-OG1 3.35Å; Q138-A165 HydrophobicContact CG-CB 4.43Å; Q138-A165 PolarHBondContact NE2-O 3.5Å
139T97Very high96.5Very high40 Ų4038.9 Ų38.925%0.24522%0.216CC..Hα-helixtrans-63.8-44.5178.2-660000110.9L136 S137 T142 I143 W162L136-T139 WeakPolarHBondContact O-CB 3.46Å; L136-T139 PolarHBondContact O-N 3.35Å; S137-T139 PolarHBondContact O-N 3.16Å; T139-T142 WeakPolarHBondContact O-CB 3.44Å; T139-T142 PolarHBondContact O-N 3.18Å; T139-I143 HydrophobicContact CG2-CD1 4.32Å; T139-I143 WeakPolarHBondContact O-CG1 3.33Å; T139-I143 PolarHBondContact O-N 2.87Å; T139-W162 PolarHBondContact OG1-NE1 3.44Å
140F97.7Very high96.4Very high51 Ų5140.7 Ų40.722%0.22422%0.22CC..Hα-helixtrans-66.1-41.7177.5-69.9-74.7000112.4I73 T76 L136 S137 T142 I143 Q144I73-F140 HydrophobicContact CD1-CD2 4.43Å; I73-F140 HydrophobicContact CD1-CE2 3.89Å; I73-F140 HydrophobicContact CD1-CZ 4.13Å; I73-F140 HydrophobicContact CG1-CD1 4.23Å; I73-F140 HydrophobicContact CG1-CD2 3.69Å; I73-F140 HydrophobicContact CG1-CE1 4.08Å; I73-F140 HydrophobicContact CG1-CE2 3.55Å; I73-F140 HydrophobicContact CG1-CG 4.06Å; I73-F140 HydrophobicContact CG1-CZ 3.75Å; I73-F140 HydrophobicContact CG2-CE1 4.2Å; I73-F140 HydrophobicContact CG2-CZ 4.35Å; T76-F140 HydrophobicContact CG2-CB 4.27Å; T76-F140 HydrophobicContact CG2-CD1 3.9Å; T76-F140 WeakPolarHBondContact OG1-CB 3.47Å; L136-F140 WeakPolarHBondContact O-CD2 3.49Å; L136-F140 PolarHBondContact O-N 2.93Å; S137-F140 PolarHBondContact O-N 3.41Å; F140-T142 VanDerWaalsContact C-N 3.32Å; F140-T142 PolarHBondContact O-N 3.26Å; F140-I143 WeakPolarHBondContact O-CB 3.34Å; F140-I143 PolarHBondContact O-N 3.05Å; F140-Q144 WeakPolarHBondContact O-CG 3.2Å; F140-Q144 PolarHBondContact O-N 3.13Å
141I97.3Very high96.4Very high31 Ų3141.1 Ų41.116%0.15922%0.222CC..Hα-helixtrans-62.7-41.7175.3-64.9165.4000110.6N72 L102 S137 Q138 I143 Q144 I145N72-I141 WeakPolarHBondContact ND2-CG1 3.36Å; L102-I141 HydrophobicContact CD1-CD1 3.46Å; L102-I141 VanDerWaalsContact CD1-CD1 3.46Å; L102-I141 HydrophobicContact CD1-CG1 3.82Å; L102-I141 HydrophobicContact CD1-CG2 4.18Å; S137-I141 WeakPolarHBondContact O-CG1 3.4Å; S137-I141 PolarHBondContact O-N 3.04Å; Q138-I141 PolarHBondContact O-N 3.37Å; I141-I143 VanDerWaalsContact C-N 3.3Å; I141-I143 PolarHBondContact O-N 3.42Å; I141-Q144 WeakPolarHBondContact O-CB 3.31Å; I141-Q144 PolarHBondContact O-N 2.96Å; I141-Q144 VanDerWaalsContact O-N 3.16Å; I141-I145 HydrophobicContact CG2-CD1 3.95Å; I141-I145 HydrophobicContact CG2-CG1 4.46Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 3.31Å
142T96.4Very high96.3Very high7 Ų740.8 Ų40.84%0.04323%0.227CC..Hα-helixtrans-58.2-45174.9-610000110.7Q138 T139 F140 I145 C146 Y161 W162Q138-T142 WeakPolarHBondContact O-CB 3.5Å; Q138-T142 PolarHBondContact O-N 2.94Å; Q138-T142 PolarHBondContact O-OG1 3.35Å; T139-T142 WeakPolarHBondContact O-CB 3.44Å; T139-T142 PolarHBondContact O-N 3.18Å; F140-T142 VanDerWaalsContact C-N 3.32Å; F140-T142 PolarHBondContact O-N 3.26Å; T142-I145 PolarHBondContact O-N 2.91Å; T142-C146 WeakPolarHBondContact O-CB 3.35Å; T142-C146 PolarHBondContact O-N 3.41Å; T142-C146 PolarHBondContact O-SG 3.45Å; T142-Y161 HydrophobicContact CG2-CD1 3.41Å; T142-Y161 VanDerWaalsContact CG2-CD1 3.41Å; T142-Y161 HydrophobicContact CG2-CE1 3.59Å; T142-W162 HydrophobicContact CG2-CB 3.86Å; T142-W162 HydrophobicContact CG2-CG 4.37Å
143I95.7Very high96.2Very high61 Ų6145.1 Ų45.131%0.31324%0.238SC..Hα-helixtrans-60-47.6174.8-66.8164.2000110.5T76 V80 T139 F140 I141 I145 C146 L147T76-I143 HydrophobicContact CG2-CB 3.94Å; T76-I143 HydrophobicContact CG2-CG2 3.69Å; V80-I143 HydrophobicContact CG2-CG2 3.99Å; T139-I143 HydrophobicContact CG2-CD1 4.32Å; T139-I143 WeakPolarHBondContact O-CG1 3.33Å; T139-I143 PolarHBondContact O-N 2.87Å; F140-I143 WeakPolarHBondContact O-CB 3.34Å; F140-I143 PolarHBondContact O-N 3.05Å; I141-I143 VanDerWaalsContact C-N 3.3Å; I141-I143 PolarHBondContact O-N 3.42Å; I143-I145 VanDerWaalsContact C-N 3.32Å; I143-I145 PolarHBondContact O-N 3.15Å; I143-C146 PolarHBondContact O-N 3.09Å; I143-L147 HydrophobicContact CG2-CD1 3.69Å; I143-L147 HydrophobicContact CG2-CG 4.06Å; I143-L147 WeakPolarHBondContact O-CB 3.33Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.26Å; I143-L147 PolarHBondContact O-N 3.5Å
144Q97.3Very high96.1Very high7 Ų749.1 Ų49.13%0.03326%0.258CS..Hα-helixtrans-56.8-44.4178.5-69.4174.21600112.6N72 S75 T76 L79 C98 F140 I141 L147 S148N72-Q144 PolarHBondContact O-NE2 3.31Å; N72-Q144 PolarHBondContact OD1-NE2 3.28Å; S75-Q144 PolarHBondContact OG-NE2 3.25Å; S75-Q144 VanDerWaalsContact OG-NE2 3.15Å; T76-Q144 HydrophobicContact CG2-CG 4.14Å; T76-Q144 WeakPolarHBondContact OG1-CG 3.4Å; T76-Q144 PolarHBondContact OG1-NE2 3.13Å; L79-Q144 HydrophobicContact CD2-CB 4.39Å; L79-Q144 HydrophobicContact CD2-CG 4.48Å; C98-Q144 HydrophobicContact CB-CG 4.41Å; F140-Q144 WeakPolarHBondContact O-CG 3.2Å; F140-Q144 PolarHBondContact O-N 3.13Å; I141-Q144 WeakPolarHBondContact O-CB 3.31Å; I141-Q144 PolarHBondContact O-N 2.96Å; I141-Q144 VanDerWaalsContact O-N 3.16Å; Q144-L147 PolarHBondContact O-N 3.28Å; Q144-S148 VanDerWaalsContact O-CB 3.26Å; Q144-S148 WeakPolarHBondContact O-CB 3.45Å; Q144-S148 PolarHBondContact O-N 3.45Å; Q144-S148 PolarHBondContact O-OG 3.26Å
145I96Very high95.8Very high56 Ų5652.3 Ų52.329%0.28728%0.28SS..Hα-helixtrans-62.1-49.3177.9-68168000109.9I141 T142 I143 L147 S148 M149 Y161I141-I145 HydrophobicContact CG2-CD1 3.95Å; I141-I145 HydrophobicContact CG2-CG1 4.46Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 3.31Å; T142-I145 PolarHBondContact O-N 2.91Å; I143-I145 VanDerWaalsContact C-N 3.32Å; I143-I145 PolarHBondContact O-N 3.15Å; I145-L147 PolarHBondContact O-N 3.28Å; I145-S148 PolarHBondContact O-N 3.1Å; I145-M149 HydrophobicContact CG2-CG 4.48Å; I145-M149 HydrophobicContact CG2-SD 3.76Å; I145-M149 WeakPolarHBondContact O-CB 3.46Å; I145-M149 WeakPolarHBondContact O-CG 3.45Å; I145-M149 PolarHBondContact O-N 3.02Å; I145-Y161 HydrophobicContact CB-CE1 4.44Å; I145-Y161 WeakPolarHBondContact CD1-OH 3.43Å; I145-Y161 HydrophobicContact CG2-CE1 4.22Å
146C96Very high95.8Very high7 Ų756.7 Ų56.75%0.04729%0.292CS..Hα-helixtrans-61.4-40.8179.6-69.80000112.8T142 I143 R150 L151 V158T142-C146 WeakPolarHBondContact O-CB 3.35Å; T142-C146 PolarHBondContact O-N 3.41Å; T142-C146 PolarHBondContact O-SG 3.45Å; I143-C146 PolarHBondContact O-N 3.09Å; C146-R150 PolarHBondContact O-N 2.82Å; C146-L151 HydrophobicContact CB-CB 4.48Å; C146-L151 HydrophobicContact CB-CD1 4.44Å; C146-L151 PolarHBondContact O-N 2.97Å; C146-V158 HydrophobicContact CB-CG1 4.17Å; C146-V158 HydrophobicContact CB-CG2 4.15Å
147L96Very high95.6Very high15 Ų1555.8 Ų55.88%0.07929%0.287CS..Hα-helixtrans-67.4-42.2175.3-68177.9000111.8L79 V80 S83 G86 I143 Q144 I145 M149 R150L79-L147 HydrophobicContact CB-CD1 4.24Å; L79-L147 HydrophobicContact CD2-CB 3.79Å; L79-L147 HydrophobicContact CD2-CD1 4.05Å; L79-L147 HydrophobicContact CG-CB 4.08Å; L79-L147 HydrophobicContact CG-CD1 3.84Å; V80-L147 HydrophobicContact CB-CD1 4.41Å; V80-L147 HydrophobicContact CG2-CD1 3.6Å; S83-L147 VanDerWaalsContact O-CD2 3.26Å; S83-L147 WeakPolarHBondContact O-CD2 3.49Å; G86-L147 VanDerWaalsContact CA-CD2 3.44Å; I143-L147 HydrophobicContact CG2-CD1 3.69Å; I143-L147 HydrophobicContact CG2-CG 4.06Å; I143-L147 WeakPolarHBondContact O-CB 3.33Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.26Å; I143-L147 PolarHBondContact O-N 3.5Å; Q144-L147 PolarHBondContact O-N 3.28Å; I145-L147 PolarHBondContact O-N 3.28Å; L147-M149 VanDerWaalsContact C-N 3.31Å; L147-M149 PolarHBondContact O-N 3.03Å; L147-R150 PolarHBondContact O-N 3.36Å; L147-R150 VanDerWaalsContact O-N 3.09Å
148S95.9Very high95.4Very high53 Ų5357.7 Ų57.737%0.37130%0.299SS..Hα-helixtrans-65-36.1178.5-57.90000112.3Y95 Q144 I145 R150Y95-S148 WeakPolarHBondContact CD1-OG 3.47Å; Q144-S148 VanDerWaalsContact O-CB 3.26Å; Q144-S148 WeakPolarHBondContact O-CB 3.45Å; Q144-S148 PolarHBondContact O-N 3.45Å; Q144-S148 PolarHBondContact O-OG 3.26Å; I145-S148 PolarHBondContact O-N 3.1Å; S148-R150 VanDerWaalsContact C-N 3.28Å
149M95Very high95.4Very high122 Ų12260.4 Ų60.460%0.60131%0.313SS*.THydrogen-bonded Turntrans-84-2.1175.1-67.7179.469.200113.4I145 L147 L151I145-M149 HydrophobicContact CG2-CG 4.48Å; I145-M149 HydrophobicContact CG2-SD 3.76Å; I145-M149 WeakPolarHBondContact O-CB 3.46Å; I145-M149 WeakPolarHBondContact O-CG 3.45Å; I145-M149 PolarHBondContact O-N 3.02Å; L147-M149 VanDerWaalsContact C-N 3.31Å; L147-M149 PolarHBondContact O-N 3.03Å; M149-L151 VanDerWaalsContact C-N 3.32Å; M149-L151 HydrophobicContact CB-CD1 4.15Å; M149-L151 HydrophobicContact CB-CD2 4.12Å; M149-L151 HydrophobicContact CB-CG 3.73Å; M149-L151 HydrophobicContact CE-CD1 4.48Å; M149-L151 PolarHBondContact O-N 2.82Å; M149-L151 HydrophobicContact SD-CD1 4.42Å
150R95.1Very high95.3Very high109 Ų10962 Ų6241%0.41132%0.32SS..THydrogen-bonded Turntrans55.243.5-179.7-58.117162.5-147.8-4.8113.3G86 M87 C146 L147 S148 G152G86-R150 CarbonylContact O-C 3.04Å; G86-R150 WeakPolarHBondContact O-CA 3.42Å; M87-R150 VanDerWaalsContact O-CZ 3.32Å; M87-R150 PolarHBondContact O-NE 3.44Å; M87-R150 PolarHBondContact O-NH2 3.37Å; C146-R150 PolarHBondContact O-N 2.82Å; L147-R150 PolarHBondContact O-N 3.36Å; L147-R150 VanDerWaalsContact O-N 3.09Å; S148-R150 VanDerWaalsContact C-N 3.28Å; R150-G152 PolarHBondContact O-N 2.84Å
151L94.9Very high95.2Very high31 Ų3163.8 Ų63.816%0.16233%0.326CS..G310 helixtrans-78.39-176.4-61.5-178.5000114G86 C146 M149 H153 I154 V158G86-L151 PolarHBondContact O-N 2.89Å; C146-L151 HydrophobicContact CB-CB 4.48Å; C146-L151 HydrophobicContact CB-CD1 4.44Å; C146-L151 PolarHBondContact O-N 2.97Å; M149-L151 VanDerWaalsContact C-N 3.32Å; M149-L151 HydrophobicContact CB-CD1 4.15Å; M149-L151 HydrophobicContact CB-CD2 4.12Å; M149-L151 HydrophobicContact CB-CG 3.73Å; M149-L151 HydrophobicContact CE-CD1 4.48Å; M149-L151 PolarHBondContact O-N 2.82Å; M149-L151 HydrophobicContact SD-CD1 4.42Å; L151-H153 PolarHBondContact O-N 2.99Å; L151-H153 VanDerWaalsContact O-N 3.13Å; L151-I154 CarbonylContact O-C 3.54Å; L151-I154 PolarHBondContact O-N 2.7Å; L151-V158 HydrophobicContact CB-CG2 3.62Å
152G93.5Very high95.2Very high24 Ų2467.3 Ų67.325%0.24734%0.337CS..G310 helixtrans-57.5-26.4179.900000114.6D85 G86 R150 I154D85-G152 VanDerWaalsContact O-CA 3.3Å; D85-G152 WeakPolarHBondContact O-CA 3.29Å; G86-G152 WeakPolarHBondContact O-CA 3.27Å; G86-G152 PolarHBondContact O-N 3.15Å; R150-G152 PolarHBondContact O-N 2.84Å; G152-I154 PolarHBondContact O-N 3.48Å
153H93.5Very high95.2Very high128 Ų12870.5 Ų70.559%0.59335%0.353SS*.G310 helixtrans-67.5-19.8175-63.8-68.8000113.9M87 L151M87-H153 PolarHBondContact SD-CE1 3.39Å; M87-H153 PolarHBondContact SD-ND1 2.81Å; L151-H153 PolarHBondContact O-N 2.99Å; L151-H153 VanDerWaalsContact O-N 3.13Å
154I94.6Very high95.3Very high89 Ų8973.8 Ų73.846%0.45637%0.365SS..  trans-129.967.2-174.2-42.7177.1000109.4L151 G152 F156 L157 V158L151-I154 CarbonylContact O-C 3.54Å; L151-I154 PolarHBondContact O-N 2.7Å; G152-I154 PolarHBondContact O-N 3.48Å; I154-F156 PolarHBondContact O-N 3.15Å; I154-F156 VanDerWaalsContact O-N 3.13Å; I154-L157 HydrophobicContact CB-CB 4.07Å; I154-L157 HydrophobicContact CG2-CB 3.55Å; I154-L157 WeakPolarHBondContact O-CB 3.43Å; I154-L157 PolarHBondContact O-N 3.26Å; I154-V158 PolarHBondContact O-N 2.99Å
155P92.4Very high95.2Very high94 Ų9474.1 Ų74.161%0.6137%0.369SS*.Hα-helixtrans-60-29.6-174.923.8-34.6000113.2L157 V158 M159P155-L157 VanDerWaalsContact C-N 3.33Å; P155-L157 PolarHBondContact O-N 2.67Å; P155-V158 WeakPolarHBondContact O-CB 3.28Å; P155-V158 PolarHBondContact O-N 3.41Å; P155-M159 PolarHBondContact O-N 3.48Å
156F95.6Very high95.2Very high130 Ų13073.8 Ų73.857%0.5737%0.37SS*.Hα-helixtrans-61.2-40.8173.4178.6-106.8000112.3I154 M159 L160I154-F156 PolarHBondContact O-N 3.15Å; I154-F156 VanDerWaalsContact O-N 3.13Å; F156-M159 HydrophobicContact CD2-CE 3.87Å; F156-M159 HydrophobicContact CE2-CE 4.02Å; F156-M159 PolarHBondContact O-N 3.11Å; F156-L160 HydrophobicContact CD1-CD1 3.91Å; F156-L160 HydrophobicContact CD1-CG 4.31Å; F156-L160 HydrophobicContact CE1-CD1 3.28Å; F156-L160 HydrophobicContact CE1-CG 3.9Å; F156-L160 HydrophobicContact CE2-CD1 4.43Å; F156-L160 HydrophobicContact CE2-CD2 4.35Å; F156-L160 HydrophobicContact CE2-CG 4.23Å; F156-L160 HydrophobicContact CZ-CD1 3.59Å; F156-L160 HydrophobicContact CZ-CD2 4.04Å; F156-L160 HydrophobicContact CZ-CG 3.85Å; F156-L160 WeakPolarHBondContact O-CG 3.08Å; F156-L160 PolarHBondContact O-N 2.9Å
157L93.2Very high95.2Very high77 Ų7777 Ų7740%0.40339%0.389SS..Hα-helixtrans-68.5-38.5177.5-177.762.6000111.3I154 P155 M159 L160 Y161I154-L157 HydrophobicContact CB-CB 4.07Å; I154-L157 HydrophobicContact CG2-CB 3.55Å; I154-L157 WeakPolarHBondContact O-CB 3.43Å; I154-L157 PolarHBondContact O-N 3.26Å; P155-L157 VanDerWaalsContact C-N 3.33Å; P155-L157 PolarHBondContact O-N 2.67Å; L157-M159 VanDerWaalsContact C-N 3.33Å; L157-M159 PolarHBondContact O-N 3.09Å; L157-L160 PolarHBondContact O-N 3.28Å; L157-Y161 WeakPolarHBondContact O-CB 3.26Å; L157-Y161 PolarHBondContact O-N 2.88Å
158V94.5Very high95.2Very high41 Ų4180.6 Ų80.625%0.24841%0.406CS..Hα-helixtrans-58.6-46.5173.2174.40000110.8C146 L151 I154 P155 Y161 W162C146-V158 HydrophobicContact CB-CG1 4.17Å; C146-V158 HydrophobicContact CB-CG2 4.15Å; L151-V158 HydrophobicContact CB-CG2 3.62Å; I154-V158 PolarHBondContact O-N 2.99Å; P155-V158 WeakPolarHBondContact O-CB 3.28Å; P155-V158 PolarHBondContact O-N 3.41Å; V158-Y161 PolarHBondContact O-N 2.88Å; V158-W162 PolarHBondContact O-N 3.09Å
159M95.4Very high95.1Very high95 Ų9580.3 Ų80.347%0.46840%0.398SS..Hα-helixtrans-63.4-45.4176.9-175.1-176.371.100111.9P155 F156 L157 Y161 W162 I163P155-M159 PolarHBondContact O-N 3.48Å; F156-M159 HydrophobicContact CD2-CE 3.87Å; F156-M159 HydrophobicContact CE2-CE 4.02Å; F156-M159 PolarHBondContact O-N 3.11Å; L157-M159 VanDerWaalsContact C-N 3.33Å; L157-M159 PolarHBondContact O-N 3.09Å; M159-Y161 VanDerWaalsContact C-N 3.33Å; M159-Y161 PolarHBondContact O-N 3.38Å; M159-W162 PolarHBondContact O-N 3.07Å; M159-I163 HydrophobicContact CG-CD1 3.98Å; M159-I163 VanDerWaalsContact O-CG1 3.31Å; M159-I163 WeakPolarHBondContact O-CG1 3.37Å; M159-I163 PolarHBondContact O-N 2.88Å
160L95.9Very high95.1Very high75 Ų7581.1 Ų81.139%0.39340%0.396SS..Hα-helixtrans-61.4-41.4176.7-75.6-174.3000112.2F156 L157 I163 F164F156-L160 HydrophobicContact CD1-CD1 3.91Å; F156-L160 HydrophobicContact CD1-CG 4.31Å; F156-L160 HydrophobicContact CE1-CD1 3.28Å; F156-L160 HydrophobicContact CE1-CG 3.9Å; F156-L160 HydrophobicContact CE2-CD1 4.43Å; F156-L160 HydrophobicContact CE2-CD2 4.35Å; F156-L160 HydrophobicContact CE2-CG 4.23Å; F156-L160 HydrophobicContact CZ-CD1 3.59Å; F156-L160 HydrophobicContact CZ-CD2 4.04Å; F156-L160 HydrophobicContact CZ-CG 3.85Å; F156-L160 WeakPolarHBondContact O-CG 3.08Å; F156-L160 PolarHBondContact O-N 2.9Å; L157-L160 PolarHBondContact O-N 3.28Å; L160-I163 PolarHBondContact O-N 3.44Å; L160-F164 WeakPolarHBondContact O-CB 3.46Å; L160-F164 PolarHBondContact O-N 2.94Å
161Y94.8Very high95.1Very high88 Ų8878.1 Ų78.135%0.34539%0.392SS..Hα-helixtrans-63-43.7177.2-179.7-108.4000111.4T142 I145 L157 V158 M159 F164 A165T142-Y161 HydrophobicContact CG2-CD1 3.41Å; T142-Y161 VanDerWaalsContact CG2-CD1 3.41Å; T142-Y161 HydrophobicContact CG2-CE1 3.59Å; I145-Y161 HydrophobicContact CB-CE1 4.44Å; I145-Y161 WeakPolarHBondContact CD1-OH 3.43Å; I145-Y161 HydrophobicContact CG2-CE1 4.22Å; L157-Y161 WeakPolarHBondContact O-CB 3.26Å; L157-Y161 PolarHBondContact O-N 2.88Å; V158-Y161 PolarHBondContact O-N 2.88Å; M159-Y161 VanDerWaalsContact C-N 3.33Å; M159-Y161 PolarHBondContact O-N 3.38Å; Y161-F164 PolarHBondContact O-N 3.22Å; Y161-A165 WeakPolarHBondContact O-CB 3.3Å; Y161-A165 PolarHBondContact O-N 3.47Å
162W96.7Very high94.9Very high105 Ų10578.7 Ų78.740%0.39840%0.401SS..Hα-helixtrans-63.7-43.5174.9179.876000112.9T139 T142 V158 M159 A165 T166T139-W162 PolarHBondContact OG1-NE1 3.44Å; T142-W162 HydrophobicContact CG2-CB 3.86Å; T142-W162 HydrophobicContact CG2-CG 4.37Å; V158-W162 PolarHBondContact O-N 3.09Å; M159-W162 PolarHBondContact O-N 3.07Å; W162-A165 PolarHBondContact O-N 3.19Å; W162-T166 WeakPolarHBondContact O-CB 3.26Å; W162-T166 PolarHBondContact O-N 3.25Å; W162-T166 PolarHBondContact O-OG1 2.85Å
163I97.6Very high94.9Very high74 Ų7480 Ų8038%0.37940%0.4SS..Hα-helixtrans-59.7-48.3174.9-70.1167.4000110.1M159 L160 A165 T166 V167M159-I163 HydrophobicContact CG-CD1 3.98Å; M159-I163 VanDerWaalsContact O-CG1 3.31Å; M159-I163 WeakPolarHBondContact O-CG1 3.37Å; M159-I163 PolarHBondContact O-N 2.88Å; L160-I163 PolarHBondContact O-N 3.44Å; I163-A165 PolarHBondContact O-N 2.96Å; I163-T166 PolarHBondContact O-N 3.47Å; I163-V167 HydrophobicContact CG2-CG2 4.24Å; I163-V167 WeakPolarHBondContact O-CB 3.44Å; I163-V167 VanDerWaalsContact O-CG2 3.29Å; I163-V167 WeakPolarHBondContact O-CG2 3.46Å; I163-V167 PolarHBondContact O-N 2.87Å
164F96.7Very high94.8Very high130 Ų13080.2 Ų80.257%0.5740%0.396SS*.Hα-helixtrans-60.3-46.6179.9-178.2-98.3000111.6L160 Y161 T166 V167 M168L160-F164 WeakPolarHBondContact O-CB 3.46Å; L160-F164 PolarHBondContact O-N 2.94Å; Y161-F164 PolarHBondContact O-N 3.22Å; F164-T166 VanDerWaalsContact C-N 3.35Å; F164-T166 PolarHBondContact O-N 2.87Å; F164-V167 PolarHBondContact O-N 3.27Å; F164-M168 HydrophobicContact CD1-CG 4.21Å; F164-M168 HydrophobicContact CE1-CG 3.81Å; F164-M168 HydrophobicContact CE1-SD 4.44Å; F164-M168 HydrophobicContact CE2-CG 4.28Å; F164-M168 HydrophobicContact CE2-SD 4.38Å; F164-M168 HydrophobicContact CZ-CG 3.85Å; F164-M168 HydrophobicContact CZ-SD 3.95Å; F164-M168 VanDerWaalsContact O-CG 3.28Å; F164-M168 WeakPolarHBondContact O-CG 3.33Å; F164-M168 PolarHBondContact O-N 3.42Å
165A95.8Very high94.7Very high13 Ų1380.6 Ų80.611%0.10740%0.396CS..Hα-helixtrans-56.1-50.1174.900000110.9Q138 Y161 W162 I163 V167 M168 F169Q138-A165 HydrophobicContact CG-CB 4.43Å; Q138-A165 PolarHBondContact NE2-O 3.5Å; Y161-A165 WeakPolarHBondContact O-CB 3.3Å; Y161-A165 PolarHBondContact O-N 3.47Å; W162-A165 PolarHBondContact O-N 3.19Å; I163-A165 PolarHBondContact O-N 2.96Å; A165-V167 PolarHBondContact O-N 3.26Å; A165-M168 PolarHBondContact O-N 3.17Å; A165-M168 VanDerWaalsContact O-N 3.16Å; A165-F169 PolarHBondContact O-N 3.04Å
166T96.5Very high94.6Very high50 Ų5077.2 Ų77.231%0.30738%0.376SS..Hα-helixtrans-61.6-43.2-179.1-55.80000111.8W162 I163 F164 M168 F169 Y170W162-T166 WeakPolarHBondContact O-CB 3.26Å; W162-T166 PolarHBondContact O-N 3.25Å; W162-T166 PolarHBondContact O-OG1 2.85Å; I163-T166 PolarHBondContact O-N 3.47Å; F164-T166 VanDerWaalsContact C-N 3.35Å; F164-T166 PolarHBondContact O-N 2.87Å; T166-M168 VanDerWaalsContact C-N 3.32Å; T166-M168 PolarHBondContact O-N 3.16Å; T166-F169 PolarHBondContact O-N 2.99Å; T166-Y170 WeakPolarHBondContact O-CB 3.24Å; T166-Y170 PolarHBondContact O-N 3.46Å
167V96.8Very high94.2Very high73 Ų7379.7 Ų79.744%0.44238%0.383SS..Hα-helixtrans-63.9-38.2176.9169.70000111.2I163 F164 A165 Y170 S171I163-V167 HydrophobicContact CG2-CG2 4.24Å; I163-V167 WeakPolarHBondContact O-CB 3.44Å; I163-V167 VanDerWaalsContact O-CG2 3.29Å; I163-V167 WeakPolarHBondContact O-CG2 3.46Å; I163-V167 PolarHBondContact O-N 2.87Å; F164-V167 PolarHBondContact O-N 3.27Å; A165-V167 PolarHBondContact O-N 3.26Å; V167-Y170 PolarHBondContact O-N 3.32Å; V167-S171 VanDerWaalsContact O-CB 3.31Å; V167-S171 WeakPolarHBondContact O-CB 3.3Å; V167-S171 PolarHBondContact O-N 3Å; V167-S171 PolarHBondContact O-OG 2.9Å
168M94.3Very high94.1Very high91 Ų9180.6 Ų80.645%0.44839%0.391SS..Hα-helixtrans-66.5-44.2176.1-68.2-73.973.700112.5F164 A165 T166 Y170 S171 A172F164-M168 HydrophobicContact CD1-CG 4.21Å; F164-M168 HydrophobicContact CE1-CG 3.81Å; F164-M168 HydrophobicContact CE1-SD 4.44Å; F164-M168 HydrophobicContact CE2-CG 4.28Å; F164-M168 HydrophobicContact CE2-SD 4.38Å; F164-M168 HydrophobicContact CZ-CG 3.85Å; F164-M168 HydrophobicContact CZ-SD 3.95Å; F164-M168 VanDerWaalsContact O-CG 3.28Å; F164-M168 WeakPolarHBondContact O-CG 3.33Å; F164-M168 PolarHBondContact O-N 3.42Å; A165-M168 PolarHBondContact O-N 3.17Å; A165-M168 VanDerWaalsContact O-N 3.16Å; T166-M168 VanDerWaalsContact C-N 3.32Å; T166-M168 PolarHBondContact O-N 3.16Å; M168-Y170 PolarHBondContact O-N 3.3Å; M168-S171 PolarHBondContact O-N 3.31Å; M168-A172 PolarHBondContact O-N 2.87Å; M168-A172 VanDerWaalsContact O-N 3.12Å
169F94.4Very high94Very high47 Ų4781.4 Ų81.421%0.20640%0.399CS..Hα-helixtrans-60.6-46.7174.3-175.5-91.8000111.5H131 D134 A135 A165 T166 S171 A172 H173H131-F169 WeakPolarHBondContact O-CZ 3.49Å; D134-F169 HydrophobicContact CB-CE2 3.61Å; D134-F169 HydrophobicContact CB-CZ 3.73Å; A135-F169 HydrophobicContact CB-CD1 4.21Å; A135-F169 HydrophobicContact CB-CE1 3.64Å; A135-F169 HydrophobicContact CB-CZ 4.06Å; A165-F169 PolarHBondContact O-N 3.04Å; T166-F169 PolarHBondContact O-N 2.99Å; F169-S171 VanDerWaalsContact C-N 3.33Å; F169-S171 PolarHBondContact O-N 3.46Å; F169-A172 PolarHBondContact O-N 2.86Å; F169-H173 AromaticContact CD1-CE1 3.96Å; F169-H173 AromaticContact CD1-ND1 3.76Å; F169-H173 AromaticContact CD2-CE1 3.92Å; F169-H173 AromaticContact CE1-CE1 3.38Å; F169-H173 WeakPolarHBondContact CE1-CE1 3.5Å; F169-H173 AromaticContact CE1-ND1 3.52Å; F169-H173 AromaticContact CE2-CE1 3.33Å; F169-H173 WeakPolarHBondContact CE2-CE1 3.48Å; F169-H173 AromaticContact CZ-CE1 3.04Å; F169-H173 WeakPolarHBondContact CZ-CE1 3.3Å; F169-H173 AromaticContact CZ-ND1 3.69Å; F169-H173 AromaticContact CZ-NE2 3.63Å; F169-H173 PolarHBondContact O-N 3.26Å; F169-H173 PolarHBondContact O-ND1 3.38Å
170Y94.5Very high93.6Very high139 Ų13979.1 Ų79.155%0.54540%0.399SS..Hα-helixtrans-59.8-42.9176.1177.1-98.6000112.1T166 V167 M168 A172 H173 W174T166-Y170 WeakPolarHBondContact O-CB 3.24Å; T166-Y170 PolarHBondContact O-N 3.46Å; V167-Y170 PolarHBondContact O-N 3.32Å; M168-Y170 PolarHBondContact O-N 3.3Å; Y170-A172 VanDerWaalsContact C-N 3.34Å; Y170-A172 PolarHBondContact O-N 3.17Å; Y170-H173 PolarHBondContact O-N 3.32Å; Y170-W174 HydrophobicContact CE1-CB 4.27Å; Y170-W174 HydrophobicContact CE1-CE3 4.49Å; Y170-W174 WeakPolarHBondContact O-CB 3.29Å; Y170-W174 PolarHBondContact O-N 3.02Å
171S94.9Very high93.3Very high46 Ų4677 Ų7732%0.32239%0.389SS..Hα-helixtrans-63-39.6-178.9-600000112V167 M168 F169 W174 Q175V167-S171 VanDerWaalsContact O-CB 3.31Å; V167-S171 WeakPolarHBondContact O-CB 3.3Å; V167-S171 PolarHBondContact O-N 3Å; V167-S171 PolarHBondContact O-OG 2.9Å; M168-S171 PolarHBondContact O-N 3.31Å; F169-S171 VanDerWaalsContact C-N 3.33Å; F169-S171 PolarHBondContact O-N 3.46Å; S171-W174 PolarHBondContact O-N 3.45Å; S171-Q175 WeakPolarHBondContact O-CB 3.17Å; S171-Q175 PolarHBondContact O-N 3.31Å
172A92.3Very high93Very high44 Ų4473.3 Ų73.336%0.36438%0.376SS..Hα-helixtrans-61.8-43.7175.200000111.8M168 F169 Y170 Q175 A176M168-A172 PolarHBondContact O-N 2.87Å; M168-A172 VanDerWaalsContact O-N 3.12Å; F169-A172 PolarHBondContact O-N 2.86Å; Y170-A172 VanDerWaalsContact C-N 3.34Å; Y170-A172 PolarHBondContact O-N 3.17Å; A172-Q175 PolarHBondContact O-N 3.28Å; A172-A176 PolarHBondContact O-N 3.44Å
173H92Very high92.5Very high50 Ų5074.3 Ų74.323%0.23138%0.379CS..Hα-helixtrans-72.5-34.2178-70.677.1000112.6H131 F169 Y170 Q175 A176 Y177H131-H173 AromaticContact CD2-NE2 3.68Å; H131-H173 AromaticContact CG-NE2 3.32Å; H131-H173 VanDerWaalsContact CG-NE2 3.32Å; H131-H173 AromaticContact ND1-NE2 3.6Å; F169-H173 AromaticContact CD1-CE1 3.96Å; F169-H173 AromaticContact CD1-ND1 3.76Å; F169-H173 AromaticContact CD2-CE1 3.92Å; F169-H173 AromaticContact CE1-CE1 3.38Å; F169-H173 WeakPolarHBondContact CE1-CE1 3.5Å; F169-H173 AromaticContact CE1-ND1 3.52Å; F169-H173 AromaticContact CE2-CE1 3.33Å; F169-H173 WeakPolarHBondContact CE2-CE1 3.48Å; F169-H173 AromaticContact CZ-CE1 3.04Å; F169-H173 WeakPolarHBondContact CZ-CE1 3.3Å; F169-H173 AromaticContact CZ-ND1 3.69Å; F169-H173 AromaticContact CZ-NE2 3.63Å; F169-H173 PolarHBondContact O-N 3.26Å; F169-H173 PolarHBondContact O-ND1 3.38Å; Y170-H173 PolarHBondContact O-N 3.32Å; H173-Q175 VanDerWaalsContact C-N 3.35Å; H173-A176 PolarHBondContact O-N 2.9Å; H173-Y177 WeakPolarHBondContact O-CB 3.38Å; H173-Y177 PolarHBondContact O-N 3.46Å
174W92.7Very high91.8Very high133 Ų13375.3 Ų75.350%0.50438%0.381SS..Hα-helixtrans-62.1-44171.7176.8-94.4000111Y170 S171 A176 Y177 V178Y170-W174 HydrophobicContact CE1-CB 4.27Å; Y170-W174 HydrophobicContact CE1-CE3 4.49Å; Y170-W174 WeakPolarHBondContact O-CB 3.29Å; Y170-W174 PolarHBondContact O-N 3.02Å; S171-W174 PolarHBondContact O-N 3.45Å; W174-A176 VanDerWaalsContact C-N 3.33Å; W174-A176 PolarHBondContact O-N 3.22Å; W174-Y177 HydrophobicContact CE3-CD1 4.34Å; W174-Y177 HydrophobicContact CZ3-CD1 4.3Å; W174-Y177 HydrophobicContact CZ3-CE1 4.47Å; W174-Y177 WeakPolarHBondContact O-CB 3.42Å; W174-Y177 PolarHBondContact O-N 3.17Å; W174-V178 HydrophobicContact CD2-CG2 4.46Å; W174-V178 HydrophobicContact CZ2-CG2 4.2Å; W174-V178 WeakPolarHBondContact O-CG2 3.23Å; W174-V178 PolarHBondContact O-N 3.4Å
175Q92.3Very high91Very high98 Ų9871.3 Ų71.346%0.45838%0.376SS..Hα-helixtrans-61.3-42.1174.1-177.3-179.7-54.200111.6S171 A172 H173 Y177 V178 S179S171-Q175 WeakPolarHBondContact O-CB 3.17Å; S171-Q175 PolarHBondContact O-N 3.31Å; A172-Q175 PolarHBondContact O-N 3.28Å; H173-Q175 VanDerWaalsContact C-N 3.35Å; Q175-Y177 VanDerWaalsContact C-N 3.34Å; Q175-V178 PolarHBondContact O-N 2.87Å; Q175-S179 WeakPolarHBondContact O-CB 3.15Å; Q175-S179 PolarHBondContact O-N 3.19Å; Q175-S179 PolarHBondContact O-OG 3.21Å
176A90.1Very high89.2Confident22 Ų2284.7 Ų84.718%0.18242%0.424CS..Hα-helixtrans-62.5-40.8174.800000112A172 H173 W174 V178 G180 L182A172-A176 PolarHBondContact O-N 3.44Å; H173-A176 PolarHBondContact O-N 2.9Å; W174-A176 VanDerWaalsContact C-N 3.33Å; W174-A176 PolarHBondContact O-N 3.22Å; A176-V178 PolarHBondContact O-N 3.27Å; A176-G180 VanDerWaalsContact O-CA 3.25Å; A176-G180 WeakPolarHBondContact O-CA 3.33Å; A176-G180 PolarHBondContact O-N 2.86Å; A176-L182 HydrophobicContact CB-CB 4.12Å; A176-L182 HydrophobicContact CB-CD1 3.79Å
177Y88.2Confident88.9Confident182 Ų18286.4 Ų86.471%0.71443%0.43SS*.Hα-helixtrans-60.6-43.8175.2170.4-106000112.5H173 W174 Q175H173-Y177 WeakPolarHBondContact O-CB 3.38Å; H173-Y177 PolarHBondContact O-N 3.46Å; W174-Y177 HydrophobicContact CE3-CD1 4.34Å; W174-Y177 HydrophobicContact CZ3-CD1 4.3Å; W174-Y177 HydrophobicContact CZ3-CE1 4.47Å; W174-Y177 WeakPolarHBondContact O-CB 3.42Å; W174-Y177 PolarHBondContact O-N 3.17Å; Q175-Y177 VanDerWaalsContact C-N 3.34Å
178V91.2Very high88.4Confident97 Ų9787.1 Ų87.159%0.58843%0.429SS*.Hα-helixtrans-75.8-40.3-178.3174.90000112.3W174 Q175 A176W174-V178 HydrophobicContact CD2-CG2 4.46Å; W174-V178 HydrophobicContact CZ2-CG2 4.2Å; W174-V178 WeakPolarHBondContact O-CG2 3.23Å; W174-V178 PolarHBondContact O-N 3.4Å; Q175-V178 PolarHBondContact O-N 2.87Å; A176-V178 PolarHBondContact O-N 3.27Å
179S90.4Very high88.1Confident58 Ų5886.9 Ų86.941%0.40643%0.428SS..Hα-helixtrans-93-16.3-173.866.70000114.4Q175 V181Q175-S179 WeakPolarHBondContact O-CB 3.15Å; Q175-S179 PolarHBondContact O-N 3.19Å; Q175-S179 PolarHBondContact O-OG 3.21Å; S179-V181 PolarHBondContact O-N 3.27Å; S179-V181 PolarHBondContact OG-N 2.96Å; S179-V181 PolarHBondContact OG-O 3.19Å; S179-V181 VanDerWaalsContact OG-O 3.06Å
180G87.1Confident87.8Confident46 Ų4689.2 Ų89.247%0.47444%0.441SS..SBendtrans72.96.8-171.600000114.3S32 A176S32-G180 WeakPolarHBondContact CB-O 3.48Å; A176-G180 VanDerWaalsContact O-CA 3.25Å; A176-G180 WeakPolarHBondContact O-CA 3.33Å; A176-G180 PolarHBondContact O-N 2.86Å
181V89.7Confident87.3Confident30 Ų3086.1 Ų86.118%0.18244%0.435CS..SBendtrans-135.6125.7-178.5-174.50000110.2S32 Q34 S179 R183S32-V181 WeakPolarHBondContact O-CA 3.48Å; Q34-V181 HydrophobicContact CB-CG1 4.11Å; S179-V181 PolarHBondContact O-N 3.27Å; S179-V181 PolarHBondContact OG-N 2.96Å; S179-V181 PolarHBondContact OG-O 3.19Å; S179-V181 VanDerWaalsContact OG-O 3.06Å; V181-R183 HydrophobicContact CG1-CG 4.16Å; V181-R183 PolarHBondContact O-N 3.34Å
182L88.8Confident86.8Confident12 Ų1288.8 Ų88.86%0.06344%0.442CS..EExtended strand (participates in β ladder)trans-79.9117.5169.4-171.763.2000109.2S32 A33 Q34 A176 F184S32-L182 PolarHBondContact O-N 3.16Å; A33-L182 CarbonylContact C-O 3.59Å; A33-L182 WeakPolarHBondContact CA-O 3.45Å; A33-L182 HydrophobicContact CB-CB 4.3Å; Q34-L182 PolarHBondContact N-O 3.08Å; A176-L182 HydrophobicContact CB-CB 4.12Å; A176-L182 HydrophobicContact CB-CD1 3.79Å; L182-F184 HydrophobicContact CB-CE2 4.48Å; L182-F184 HydrophobicContact CD2-CE1 4.28Å; L182-F184 HydrophobicContact CD2-CE2 3.72Å; L182-F184 HydrophobicContact CD2-CZ 3.34Å; L182-F184 HydrophobicContact CG-CE1 4.37Å; L182-F184 HydrophobicContact CG-CE2 3.77Å; L182-F184 HydrophobicContact CG-CZ 3.66Å
183R87.6Confident86.4Confident125 Ų12592 Ų9247%0.47245%0.448SS..EExtended strand (participates in β ladder)trans-106.2130.4-175.7-63.1-175.7179.7-130.4-2.9110.9Q34 V181Q34-R183 CarbonylContact O-C 3.59Å; Q34-R183 WeakPolarHBondContact O-CA 3.45Å; V181-R183 HydrophobicContact CG1-CG 4.16Å; V181-R183 PolarHBondContact O-N 3.34Å
184F82.7Confident86Confident95 Ų9595.2 Ų95.242%0.41747%0.465SS..EExtended strand (participates in β ladder)trans-118.4140.4171.8-55.1-81.8000108.6A33 Q34 D35 D36 L182A33-F184 HydrophobicContact CB-CE2 4.21Å; Q34-F184 PolarHBondContact O-N 3.33Å; D35-F184 CarbonylContact C-O 3.59Å; D35-F184 WeakPolarHBondContact CA-O 3.49Å; D35-F184 HydrophobicContact CB-CB 4.04Å; D35-F184 HydrophobicContact CB-CD2 4.4Å; D35-F184 WeakPolarHBondContact OD1-CB 3.36Å; D36-F184 PolarHBondContact N-O 2.91Å; L182-F184 HydrophobicContact CB-CE2 4.48Å; L182-F184 HydrophobicContact CD2-CE1 4.28Å; L182-F184 HydrophobicContact CD2-CE2 3.72Å; L182-F184 HydrophobicContact CD2-CZ 3.34Å; L182-F184 HydrophobicContact CG-CE1 4.37Å; L182-F184 HydrophobicContact CG-CE2 3.77Å; L182-F184 HydrophobicContact CG-CZ 3.66Å
185G78.6Confident85.5Confident46 Ų4692.1 Ų92.147%0.47446%0.461SS..  trans78.5-171.1-17100000112.4S37S37-G185 PolarHBondContact OG-N 3.49Å
186R59Low84.8Confident294 Ų29491.5 Ų91.5100%1.10946%0.462SS*.  trans-63.40-164-89.6-173.9170.2176.9-2.3114.8

Retrieved 186 of 186 residues in 1592.1 ms (Link to these results)

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