A0A087XBI5_POEFO Loading...

LYR motif containing 5a

AlphaFold DB , UniProt , Accession A0A087XBI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 85 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.1Very low79.5Confident244 Ų244102.5 Ų102.5100%1.20255%0.547SS*.  0126.70-62.5-176.5-170.400108.1N3M1-N3 PolarHBondContact O-N 3.4Å
2A55.4Low80.8Confident98 Ų9894.9 Ų94.981%0.8151%0.507SS*.  trans-65.9124.9175.800000108.8P4A2-P4 WeakPolarHBondContact O-CD 3.33Å; A2-P4 VanDerWaalsContact O-N 3.12Å
3N67.7Low81.9Confident92 Ų9292.4 Ų92.449%0.49249%0.487SS..  trans-65.6109.9177.6-174.9-11.4000108.4M1 L5 K6M1-N3 PolarHBondContact O-N 3.4Å; N3-L5 PolarHBondContact O-N 3.32Å; N3-L5 VanDerWaalsContact O-N 3.12Å; N3-L5 PolarHBondContact OD1-N 3.24Å; N3-K6 HydrophobicContact CB-CB 4.19Å; N3-K6 VanDerWaalsContact O-CB 3.31Å; N3-K6 WeakPolarHBondContact O-CB 3.43Å; N3-K6 PolarHBondContact O-N 3.29Å
4P75.9Confident82.8Confident104 Ų10495 Ų9568%0.67549%0.492SS*.Hα-helixtrans-58.6-30.3-172.221.8-31.7000112.2A2 K6A2-P4 WeakPolarHBondContact O-CD 3.33Å; A2-P4 VanDerWaalsContact O-N 3.12Å; P4-K6 PolarHBondContact O-N 2.96Å
5L84.1Confident83.7Confident16 Ų1692.8 Ų92.88%0.08449%0.485CS..Hα-helixtrans-73.9-23.5179.6-59.8175.2000113.4N3 G7 E8 V9 P47 I50 K51N3-L5 PolarHBondContact O-N 3.32Å; N3-L5 VanDerWaalsContact O-N 3.12Å; N3-L5 PolarHBondContact OD1-N 3.24Å; L5-G7 PolarHBondContact O-N 3.3Å; L5-E8 WeakPolarHBondContact O-CB 3.3Å; L5-E8 PolarHBondContact O-N 3.28Å; L5-E8 VanDerWaalsContact O-N 3.17Å; L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.41Å; L5-P47 HydrophobicContact CD1-CB 3.86Å; L5-I50 HydrophobicContact CB-CG2 3.98Å; L5-I50 HydrophobicContact CD1-CB 4.08Å; L5-I50 HydrophobicContact CD1-CD1 4.3Å; L5-I50 HydrophobicContact CD1-CG2 3.97Å; L5-I50 HydrophobicContact CG-CG2 4.46Å; L5-K51 HydrophobicContact CD2-CG 4.06Å
6K86.6Confident84.4Confident158 Ų15887.4 Ų87.469%0.68746%0.456SS*.Hα-helixtrans-62.3-35.7179.8-171.9177-179.21790111.6N3 P4 M10N3-K6 HydrophobicContact CB-CB 4.19Å; N3-K6 VanDerWaalsContact O-CB 3.31Å; N3-K6 WeakPolarHBondContact O-CB 3.43Å; N3-K6 PolarHBondContact O-N 3.29Å; P4-K6 PolarHBondContact O-N 2.96Å; K6-M10 WeakPolarHBondContact O-CB 3.12Å; K6-M10 PolarHBondContact O-N 2.96Å; K6-M10 VanDerWaalsContact O-N 3.08Å
7G90.3Very high85Confident31 Ų3185 Ų8532%0.3244%0.444SS..Hα-helixtrans-65.4-43175.900000112.3L5 M10 R11L5-G7 PolarHBondContact O-N 3.3Å; G7-M10 PolarHBondContact O-N 3.39Å; G7-R11 WeakPolarHBondContact O-CG 3.43Å; G7-R11 PolarHBondContact O-N 2.88Å
8E90.9Very high85.4Confident75 Ų7588.7 Ų88.735%0.3545%0.452SS..Hα-helixtrans-62.1-50.3176.9-76.6169-149.300111.9L5 M10 R11 L12L5-E8 WeakPolarHBondContact O-CB 3.3Å; L5-E8 PolarHBondContact O-N 3.28Å; L5-E8 VanDerWaalsContact O-N 3.17Å; E8-M10 VanDerWaalsContact C-N 3.28Å; E8-M10 PolarHBondContact O-N 3.39Å; E8-R11 PolarHBondContact O-N 3.1Å; E8-R11 VanDerWaalsContact O-N 3.17Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 PolarHBondContact O-N 3.35Å
9V92.7Very high85.8Confident47 Ų4785.4 Ų85.429%0.28544%0.435SS..Hα-helixtrans-59.7-40.7178.5178.30000111.1L5 L12 Y13 F38 I50 V54L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.41Å; V9-L12 PolarHBondContact O-N 2.92Å; V9-Y13 PolarHBondContact O-N 3.31Å; V9-F38 HydrophobicContact CG1-CD1 4.02Å; V9-F38 HydrophobicContact CG1-CE1 3.72Å; V9-I50 HydrophobicContact CG2-CG2 3.94Å; V9-V54 HydrophobicContact CG2-CG2 3.8Å
10M93.2Very high86.1Confident111 Ų11181.2 Ų81.255%0.54742%0.415SS..Hα-helixtrans-67.1-39.9178.2-171.3174.8-172.100112.5K6 G7 E8 K14K6-M10 WeakPolarHBondContact O-CB 3.12Å; K6-M10 PolarHBondContact O-N 2.96Å; K6-M10 VanDerWaalsContact O-N 3.08Å; G7-M10 PolarHBondContact O-N 3.39Å; E8-M10 VanDerWaalsContact C-N 3.28Å; E8-M10 PolarHBondContact O-N 3.39Å; M10-K14 WeakPolarHBondContact O-CG 3.38Å; M10-K14 PolarHBondContact O-N 3.37Å; M10-K14 VanDerWaalsContact O-N 3.17Å
11R94.6Very high86.3Confident151 Ų15185.2 Ų85.257%0.5743%0.425SS*.Hα-helixtrans-62.1-49.3173.8-74.7-169.4-57.1-94.17.5110.5G7 E8 Y13 K14 T15G7-R11 WeakPolarHBondContact O-CG 3.43Å; G7-R11 PolarHBondContact O-N 2.88Å; E8-R11 PolarHBondContact O-N 3.1Å; E8-R11 VanDerWaalsContact O-N 3.17Å; R11-Y13 VanDerWaalsContact C-N 3.32Å; R11-Y13 PolarHBondContact O-N 3.2Å; R11-K14 PolarHBondContact O-N 3.36Å; R11-K14 VanDerWaalsContact O-N 3.14Å; R11-T15 PolarHBondContact O-N 3.5Å; R11-T15 PolarHBondContact O-OG1 3.36Å; R11-T15 VanDerWaalsContact O-OG1 3.08Å
12L95Very high88.3Confident12 Ų1279 Ų796%0.06339%0.393CS..Hα-helixtrans-54.8-47.2178177.865000111.9E8 V9 K14 T15 L16 F38 V54 I61E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 PolarHBondContact O-N 3.35Å; V9-L12 PolarHBondContact O-N 2.92Å; L12-K14 PolarHBondContact O-N 3.34Å; L12-T15 PolarHBondContact O-N 3.31Å; L12-L16 HydrophobicContact CD1-CD1 3.91Å; L12-L16 HydrophobicContact CD1-CG 4.19Å; L12-L16 HydrophobicContact CG-CD1 3.96Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 3.42Å; L12-F38 HydrophobicContact CD2-CZ 4.13Å; L12-F38 HydrophobicContact CG-CZ 4.16Å; L12-V54 HydrophobicContact CD2-CB 4.45Å; L12-V54 HydrophobicContact CD2-CG1 4.39Å; L12-V54 HydrophobicContact CD2-CG2 4.39Å; L12-I61 HydrophobicContact CD1-CD1 3.76Å
13Y95Very high90Very high62 Ų6277.5 Ų77.524%0.24337%0.367CS..Hα-helixtrans-59.2-45178-177.1-96.8000112.4V9 R11 L17 L34 F38V9-Y13 PolarHBondContact O-N 3.31Å; R11-Y13 VanDerWaalsContact C-N 3.32Å; R11-Y13 PolarHBondContact O-N 3.2Å; Y13-L17 HydrophobicContact CE1-CD2 4.34Å; Y13-L17 VanDerWaalsContact O-CB 3.27Å; Y13-L17 WeakPolarHBondContact O-CB 3.31Å; Y13-L17 PolarHBondContact O-N 3.47Å; Y13-L34 HydrophobicContact CD2-CD2 3.95Å; Y13-L34 HydrophobicContact CD2-CG 4.07Å; Y13-L34 HydrophobicContact CE2-CD2 3.76Å; Y13-L34 HydrophobicContact CE2-CG 3.86Å; Y13-F38 AromaticContact CD2-CD1 3.93Å; Y13-F38 HydrophobicContact CD2-CD1 3.93Å; Y13-F38 AromaticContact CD2-CD2 3.85Å; Y13-F38 HydrophobicContact CD2-CD2 3.85Å; Y13-F38 AromaticContact CD2-CE1 4Å; Y13-F38 HydrophobicContact CD2-CE1 4Å; Y13-F38 AromaticContact CD2-CE2 3.94Å; Y13-F38 HydrophobicContact CD2-CE2 3.94Å; Y13-F38 AromaticContact CD2-CG 3.85Å; Y13-F38 HydrophobicContact CD2-CG 3.85Å; Y13-F38 AromaticContact CD2-CZ 4Å; Y13-F38 HydrophobicContact CD2-CZ 4Å; Y13-F38 HydrophobicContact CE2-CD2 4.4Å; Y13-F38 HydrophobicContact CE2-CG 4.42Å; Y13-F38 HydrophobicContact CG-CE1 4.37Å; Y13-F38 HydrophobicContact CG-CZ 4.48Å
14K95.3Very high91Very high129 Ų12977.7 Ų77.756%0.56137%0.373SS*.Hα-helixtrans-65.4-42.4178.4-73179.8177.4-176.90111.8M10 R11 L12 L17 Y18M10-K14 WeakPolarHBondContact O-CG 3.38Å; M10-K14 PolarHBondContact O-N 3.37Å; M10-K14 VanDerWaalsContact O-N 3.17Å; R11-K14 PolarHBondContact O-N 3.36Å; R11-K14 VanDerWaalsContact O-N 3.14Å; L12-K14 PolarHBondContact O-N 3.34Å; K14-L17 PolarHBondContact O-N 3.25Å; K14-Y18 PolarHBondContact O-N 3.23Å
15T95.3Very high91.6Very high62 Ų6279.3 Ų79.338%0.3837%0.369SS..Hα-helixtrans-63-49178-57.30000111.2R11 L12 L17 Y18 L19 I61R11-T15 PolarHBondContact O-N 3.5Å; R11-T15 PolarHBondContact O-OG1 3.36Å; R11-T15 VanDerWaalsContact O-OG1 3.08Å; L12-T15 PolarHBondContact O-N 3.31Å; T15-L17 VanDerWaalsContact C-N 3.31Å; T15-L17 PolarHBondContact O-N 2.91Å; T15-Y18 PolarHBondContact O-N 3.04Å; T15-L19 HydrophobicContact CG2-CD1 4.04Å; T15-L19 WeakPolarHBondContact O-CG 3.2Å; T15-L19 PolarHBondContact O-N 3.48Å; T15-I61 HydrophobicContact CG2-CD1 3.63Å; T15-I61 HydrophobicContact CG2-CG1 4.33Å
16L94.8Very high92Very high6 Ų680 Ų803%0.03138%0.381CS..Hα-helixtrans-62-39176.5-75.1170.4000112L12 Y18 L19 G20 F30 L34 F38 V60 I61 L64L12-L16 HydrophobicContact CD1-CD1 3.91Å; L12-L16 HydrophobicContact CD1-CG 4.19Å; L12-L16 HydrophobicContact CG-CD1 3.96Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 3.42Å; L16-Y18 VanDerWaalsContact C-N 3.33Å; L16-Y18 PolarHBondContact O-N 3.44Å; L16-L19 PolarHBondContact O-N 3.45Å; L16-G20 PolarHBondContact O-N 3.02Å; L16-F30 VanDerWaalsContact O-CE1 3.23Å; L16-F30 WeakPolarHBondContact O-CE1 3.38Å; L16-L34 HydrophobicContact CB-CD1 3.67Å; L16-L34 HydrophobicContact CB-CD2 4.04Å; L16-L34 HydrophobicContact CD1-CD1 3.65Å; L16-L34 HydrophobicContact CG-CD1 4.26Å; L16-F38 HydrophobicContact CD1-CE2 4.13Å; L16-F38 HydrophobicContact CD1-CZ 4.29Å; L16-V60 HydrophobicContact CD2-CB 4.42Å; L16-V60 HydrophobicContact CD2-CG1 3.97Å; L16-I61 HydrophobicContact CD2-CG1 3.61Å; L16-I61 HydrophobicContact CG-CG1 4.11Å; L16-L64 HydrophobicContact CD2-CD1 4.03Å
17L94.5Very high92.2Very high47 Ų4774.8 Ų74.825%0.24637%0.367CS..Hα-helixtrans-65.3-37.3177.1-173.766.4000112.3Y13 K14 T15 R31 L34Y13-L17 HydrophobicContact CE1-CD2 4.34Å; Y13-L17 VanDerWaalsContact O-CB 3.27Å; Y13-L17 WeakPolarHBondContact O-CB 3.31Å; Y13-L17 PolarHBondContact O-N 3.47Å; K14-L17 PolarHBondContact O-N 3.25Å; T15-L17 VanDerWaalsContact C-N 3.31Å; T15-L17 PolarHBondContact O-N 2.91Å; L17-R31 HydrophobicContact CD1-CB 4.02Å; L17-R31 HydrophobicContact CD1-CG 3.81Å; L17-L34 HydrophobicContact CB-CD2 4.01Å; L17-L34 HydrophobicContact CD1-CD2 4.28Å
18Y93.7Very high92.4Very high151 Ų15177 Ų7759%0.59238%0.382SS*.Hα-helixtrans-66.3-51.3174.4176.1-101000111.1K14 T15 L16 G20 R21K14-Y18 PolarHBondContact O-N 3.23Å; T15-Y18 PolarHBondContact O-N 3.04Å; L16-Y18 VanDerWaalsContact C-N 3.33Å; L16-Y18 PolarHBondContact O-N 3.44Å; Y18-G20 PolarHBondContact O-N 3.46Å; Y18-R21 WeakPolarHBondContact O-CB 3.34Å; Y18-R21 WeakPolarHBondContact O-CG 3.38Å; Y18-R21 PolarHBondContact O-N 3.31Å
19L92.1Very high92.5Very high26 Ų2677.2 Ų77.214%0.13638%0.38CS..Hα-helixtrans-65.1-24.7177.9-68.4174.4000112.6T15 L16 R21 I61 L64 Y68T15-L19 HydrophobicContact CG2-CD1 4.04Å; T15-L19 WeakPolarHBondContact O-CG 3.2Å; T15-L19 PolarHBondContact O-N 3.48Å; L16-L19 PolarHBondContact O-N 3.45Å; L19-R21 VanDerWaalsContact C-N 3.26Å; L19-R21 PolarHBondContact O-N 2.76Å; L19-I61 HydrophobicContact CD1-CB 4.2Å; L19-I61 HydrophobicContact CD1-CG1 4.02Å; L19-I61 HydrophobicContact CD1-CG2 3.68Å; L19-L64 HydrophobicContact CB-CD1 4.12Å; L19-Y68 WeakPolarHBondContact O-CE2 3.49Å; L19-Y68 PolarHBondContact O-OH 3.33Å
20G91.3Very high92.6Very high2 Ų276.1 Ų76.12%0.02137%0.372CS..G310 helixtrans-74.7-9.2177.400000115.1L16 Y18 E22 Y23 F30L16-G20 PolarHBondContact O-N 3.02Å; Y18-G20 PolarHBondContact O-N 3.46Å; G20-E22 PolarHBondContact O-N 3.33Å; G20-Y23 WeakPolarHBondContact O-CB 3.39Å; G20-Y23 PolarHBondContact O-N 3.27Å; G20-F30 VanDerWaalsContact CA-CD1 3.43Å
21R90.6Very high92.7Very high165 Ų16577.8 Ų77.862%0.62337%0.372SS*.G310 helixtrans-65.2-38.5-174.4-71176.8179.1-173.2-1113.4Y18 L19 Y23Y18-R21 WeakPolarHBondContact O-CB 3.34Å; Y18-R21 WeakPolarHBondContact O-CG 3.38Å; Y18-R21 PolarHBondContact O-N 3.31Å; L19-R21 VanDerWaalsContact C-N 3.26Å; L19-R21 PolarHBondContact O-N 2.76Å; R21-Y23 VanDerWaalsContact C-N 3.31Å
22E85.8Confident92.8Very high114 Ų11477.5 Ų77.553%0.53338%0.377SS..G310 helixtrans-96.117.1179.4-60-177.9-170.700112.4G20 Y68 R71G20-E22 PolarHBondContact O-N 3.33Å; E22-Y68 VanDerWaalsContact C-OH 3.25Å; E22-Y68 WeakPolarHBondContact CA-OH 3.39Å; E22-Y68 HydrophobicContact CB-CE1 3.4Å; E22-Y68 VanDerWaalsContact CB-CE1 3.4Å; E22-Y68 VanDerWaalsContact CB-OH 3.3Å; E22-Y68 WeakPolarHBondContact CB-OH 3.07Å; E22-Y68 HydrophobicContact CG-CE1 4.41Å; E22-Y68 PolarHBondContact N-OH 3.44Å; E22-R71 IonicContact OE2-CZ 2.76Å; E22-R71 IonicContact OE2-NH2 3.99Å; E22-R71 PolarHBondContact OE2-NH2 3.04Å
23Y90.4Very high92.7Very high66 Ų6684.4 Ų84.426%0.25940%0.402SS..  trans-60.6137.8179-169.8-104.6000110.7G20 R21 K25 G26 Y29 F30 L64 L67 Y68G20-Y23 WeakPolarHBondContact O-CB 3.39Å; G20-Y23 PolarHBondContact O-N 3.27Å; R21-Y23 VanDerWaalsContact C-N 3.31Å; Y23-K25 HydrophobicContact CD1-CB 3.92Å; Y23-K25 HydrophobicContact CE1-CB 3.87Å; Y23-K25 HydrophobicContact CE1-CD 4.29Å; Y23-K25 HydrophobicContact CE1-CG 4.04Å; Y23-K25 PolarHBondContact O-N 2.85Å; Y23-G26 WeakPolarHBondContact O-CA 3.29Å; Y23-G26 PolarHBondContact O-N 3.48Å; Y23-Y29 HydrophobicContact CD1-CD1 4.32Å; Y23-Y29 HydrophobicContact CE1-CD1 4.01Å; Y23-Y29 HydrophobicContact CE1-CE1 4.17Å; Y23-F30 HydrophobicContact CD1-CB 4.24Å; Y23-F30 HydrophobicContact CD1-CD2 4.21Å; Y23-F30 AromaticContact CD2-CD2 3.74Å; Y23-F30 HydrophobicContact CD2-CD2 3.74Å; Y23-F30 HydrophobicContact CD2-CE2 4.24Å; Y23-F30 HydrophobicContact CE2-CD2 4.18Å; Y23-F30 HydrophobicContact CG-CB 4.2Å; Y23-F30 AromaticContact CG-CD2 3.76Å; Y23-F30 HydrophobicContact CG-CD2 3.76Å; Y23-F30 HydrophobicContact CG-CG 4.36Å; Y23-L64 HydrophobicContact CD2-CD2 3.9Å; Y23-L64 HydrophobicContact CE2-CD2 4.11Å; Y23-L67 HydrophobicContact CE2-CD2 4.38Å; Y23-Y68 PolarHBondContact N-OH 3.49Å
24P88.4Confident92.7Very high96 Ų9682.1 Ų82.162%0.62339%0.394SS*.THydrogen-bonded Turntrans-57.3-29.1-171.9-28.435000115.6G26 L67P24-G26 VanDerWaalsContact C-N 3.31Å; P24-L67 HydrophobicContact CG-CD2 4.07Å
25K89.8Confident92.7Very high138 Ų13882 Ų8260%0.639%0.393SS*.THydrogen-bonded Turntrans-88.14.7177.1-62.6-173.6173.8-175.50113.8Y23 Y29Y23-K25 HydrophobicContact CD1-CB 3.92Å; Y23-K25 HydrophobicContact CE1-CB 3.87Å; Y23-K25 HydrophobicContact CE1-CD 4.29Å; Y23-K25 HydrophobicContact CE1-CG 4.04Å; Y23-K25 PolarHBondContact O-N 2.85Å; K25-Y29 HydrophobicContact CB-CD1 3.73Å; K25-Y29 HydrophobicContact CB-CE1 4.29Å; K25-Y29 HydrophobicContact CB-CG 3.92Å; K25-Y29 HydrophobicContact CD-CD1 4.02Å; K25-Y29 HydrophobicContact CD-CE1 3.69Å; K25-Y29 HydrophobicContact CD-CE2 4.34Å; K25-Y29 HydrophobicContact CD-CG 4.5Å; K25-Y29 HydrophobicContact CG-CD1 4.49Å
26G91.3Very high92.8Very high32 Ų3285.2 Ų85.233%0.3340%0.404SS..  trans92.8155.7-178.800000114.3Y23 P24 A28 Y29 F30Y23-G26 WeakPolarHBondContact O-CA 3.29Å; Y23-G26 PolarHBondContact O-N 3.48Å; P24-G26 VanDerWaalsContact C-N 3.31Å; G26-A28 PolarHBondContact O-N 2.98Å; G26-Y29 PolarHBondContact O-N 3.11Å; G26-F30 PolarHBondContact O-N 3.2Å
27A91.9Very high92.7Very high47 Ų4787.2 Ų87.239%0.38842%0.422SS..Hα-helixtrans-63.9-36-176.600000113.4F30 R31A27-F30 PolarHBondContact O-N 2.92Å; A27-R31 VanDerWaalsContact O-CB 3.25Å; A27-R31 WeakPolarHBondContact O-CB 3.36Å; A27-R31 PolarHBondContact O-N 3.27Å
28A93.2Very high92.7Very high78 Ų7887.6 Ų87.665%0.64542%0.421SS*.Hα-helixtrans-64.2-47179.700000111.5G26 F30 R31 E32G26-A28 PolarHBondContact O-N 2.98Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 3.08Å; A28-R31 PolarHBondContact O-N 3.3Å; A28-E32 PolarHBondContact O-N 3.33Å
29Y94.1Very high92.7Very high79 Ų7985.2 Ų85.231%0.3142%0.417SS..Hα-helixtrans-57.5-46.8176.2179.6-88.7000111.5Y23 K25 G26 R33Y23-Y29 HydrophobicContact CD1-CD1 4.32Å; Y23-Y29 HydrophobicContact CE1-CD1 4.01Å; Y23-Y29 HydrophobicContact CE1-CE1 4.17Å; K25-Y29 HydrophobicContact CB-CD1 3.73Å; K25-Y29 HydrophobicContact CB-CE1 4.29Å; K25-Y29 HydrophobicContact CB-CG 3.92Å; K25-Y29 HydrophobicContact CD-CD1 4.02Å; K25-Y29 HydrophobicContact CD-CE1 3.69Å; K25-Y29 HydrophobicContact CD-CE2 4.34Å; K25-Y29 HydrophobicContact CD-CG 4.5Å; K25-Y29 HydrophobicContact CG-CD1 4.49Å; G26-Y29 PolarHBondContact O-N 3.11Å; Y29-R33 HydrophobicContact CE1-CG 4.16Å; Y29-R33 WeakPolarHBondContact O-CG 3.38Å; Y29-R33 PolarHBondContact O-N 3.03Å; Y29-R33 PolarHBondContact OH-NH2 3.08Å
30F94.8Very high92.9Very high24 Ų2492 Ų9211%0.10545%0.445CS..Hα-helixtrans-65.1-45.7179-172.8-85.2000111.7L16 G20 Y23 G26 A27 A28 E32 R33 L34 L64L16-F30 VanDerWaalsContact O-CE1 3.23Å; L16-F30 WeakPolarHBondContact O-CE1 3.38Å; G20-F30 VanDerWaalsContact CA-CD1 3.43Å; Y23-F30 HydrophobicContact CD1-CB 4.24Å; Y23-F30 HydrophobicContact CD1-CD2 4.21Å; Y23-F30 AromaticContact CD2-CD2 3.74Å; Y23-F30 HydrophobicContact CD2-CD2 3.74Å; Y23-F30 HydrophobicContact CD2-CE2 4.24Å; Y23-F30 HydrophobicContact CE2-CD2 4.18Å; Y23-F30 HydrophobicContact CG-CB 4.2Å; Y23-F30 AromaticContact CG-CD2 3.76Å; Y23-F30 HydrophobicContact CG-CD2 3.76Å; Y23-F30 HydrophobicContact CG-CG 4.36Å; G26-F30 PolarHBondContact O-N 3.2Å; A27-F30 PolarHBondContact O-N 2.92Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 3.08Å; F30-E32 VanDerWaalsContact C-N 3.32Å; F30-E32 PolarHBondContact O-N 2.89Å; F30-R33 PolarHBondContact O-N 3.32Å; F30-L34 HydrophobicContact CD1-CB 4.37Å; F30-L34 HydrophobicContact CE1-CB 4.18Å; F30-L34 HydrophobicContact CE1-CD1 4.36Å; F30-L34 HydrophobicContact CE1-CD2 4.21Å; F30-L34 HydrophobicContact CE1-CG 4.49Å; F30-L34 WeakPolarHBondContact O-CB 3.31Å; F30-L34 PolarHBondContact O-N 3.47Å; F30-L64 HydrophobicContact CE2-CD1 3.96Å; F30-L64 HydrophobicContact CE2-CD2 4.03Å; F30-L64 HydrophobicContact CZ-CD1 3.75Å
31R94.7Very high92.9Very high147 Ų14795 Ų9556%0.55546%0.461SS*.Hα-helixtrans-59.1-42.1-179.4178.1177.2177.3159.8-1112.2L17 A27 A28 L34 K35L17-R31 HydrophobicContact CD1-CB 4.02Å; L17-R31 HydrophobicContact CD1-CG 3.81Å; A27-R31 VanDerWaalsContact O-CB 3.25Å; A27-R31 WeakPolarHBondContact O-CB 3.36Å; A27-R31 PolarHBondContact O-N 3.27Å; A28-R31 PolarHBondContact O-N 3.3Å; R31-L34 PolarHBondContact O-N 2.98Å; R31-K35 WeakPolarHBondContact O-CB 3.18Å; R31-K35 PolarHBondContact O-N 3.3Å
32E96Very high92.9Very high144 Ų14493.5 Ų93.567%0.67346%0.459SS*.Hα-helixtrans-63.2-47.2178.5-169-174.1174.600111.4A28 F30 L34 K35 H36A28-E32 PolarHBondContact O-N 3.33Å; F30-E32 VanDerWaalsContact C-N 3.32Å; F30-E32 PolarHBondContact O-N 2.89Å; E32-L34 PolarHBondContact O-N 3.17Å; E32-K35 PolarHBondContact O-N 3.29Å; E32-H36 WeakPolarHBondContact O-CB 3.31Å; E32-H36 PolarHBondContact O-N 3.41Å
33R94.6Very high93.1Very high158 Ų15894.1 Ų94.160%0.59647%0.466SS*.Hα-helixtrans-62.7-42.8176.9-68.1-69.6-169.1159.30.3112.3Y29 F30 H36 A37Y29-R33 HydrophobicContact CE1-CG 4.16Å; Y29-R33 WeakPolarHBondContact O-CG 3.38Å; Y29-R33 PolarHBondContact O-N 3.03Å; Y29-R33 PolarHBondContact OH-NH2 3.08Å; F30-R33 PolarHBondContact O-N 3.32Å; R33-H36 PolarHBondContact O-N 2.91Å; R33-A37 PolarHBondContact O-N 3.42Å
34L94.9Very high93.1Very high13 Ų1393.8 Ų93.87%0.06847%0.467CS..Hα-helixtrans-59.3-51.4175.5-176.870.8000110.3Y13 L16 L17 F30 R31 E32 H36 A37 F38Y13-L34 HydrophobicContact CD2-CD2 3.95Å; Y13-L34 HydrophobicContact CD2-CG 4.07Å; Y13-L34 HydrophobicContact CE2-CD2 3.76Å; Y13-L34 HydrophobicContact CE2-CG 3.86Å; L16-L34 HydrophobicContact CB-CD1 3.67Å; L16-L34 HydrophobicContact CB-CD2 4.04Å; L16-L34 HydrophobicContact CD1-CD1 3.65Å; L16-L34 HydrophobicContact CG-CD1 4.26Å; L17-L34 HydrophobicContact CB-CD2 4.01Å; L17-L34 HydrophobicContact CD1-CD2 4.28Å; F30-L34 HydrophobicContact CD1-CB 4.37Å; F30-L34 HydrophobicContact CE1-CB 4.18Å; F30-L34 HydrophobicContact CE1-CD1 4.36Å; F30-L34 HydrophobicContact CE1-CD2 4.21Å; F30-L34 HydrophobicContact CE1-CG 4.49Å; F30-L34 WeakPolarHBondContact O-CB 3.31Å; F30-L34 PolarHBondContact O-N 3.47Å; R31-L34 PolarHBondContact O-N 2.98Å; E32-L34 PolarHBondContact O-N 3.17Å; L34-H36 VanDerWaalsContact C-N 3.31Å; L34-H36 PolarHBondContact O-N 3.02Å; L34-A37 PolarHBondContact O-N 3.3Å; L34-F38 HydrophobicContact CD1-CD2 3.97Å; L34-F38 HydrophobicContact CD1-CE2 3.5Å; L34-F38 HydrophobicContact CG-CD2 4.22Å; L34-F38 HydrophobicContact CG-CE2 4.15Å; L34-F38 VanDerWaalsContact O-CD2 3.29Å; L34-F38 WeakPolarHBondContact O-CD2 3.5Å; L34-F38 PolarHBondContact O-N 3.41Å; L34-F38 VanDerWaalsContact O-N 3.11Å
35K95Very high93.1Very high126 Ų12695.1 Ų95.155%0.54847%0.473SS..Hα-helixtrans-56.7-46.7177.6-176.5-177.9177.5-172.90111R31 E32 A37 F38 M39R31-K35 WeakPolarHBondContact O-CB 3.18Å; R31-K35 PolarHBondContact O-N 3.3Å; E32-K35 PolarHBondContact O-N 3.29Å; K35-A37 VanDerWaalsContact C-N 3.34Å; K35-A37 PolarHBondContact O-N 3.02Å; K35-F38 PolarHBondContact O-N 3.12Å; K35-M39 HydrophobicContact CG-CG 4.13Å; K35-M39 WeakPolarHBondContact O-CB 3.47Å; K35-M39 WeakPolarHBondContact O-CG 3.36Å; K35-M39 PolarHBondContact O-N 2.95Å
36H96Very high93.2Very high131 Ų13191.5 Ų91.561%0.60646%0.46SS*.Hα-helixtrans-60.5-41.8179.5-172.1-111.3000112.4E32 R33 L34 F38 M39 K40E32-H36 WeakPolarHBondContact O-CB 3.31Å; E32-H36 PolarHBondContact O-N 3.41Å; R33-H36 PolarHBondContact O-N 2.91Å; L34-H36 VanDerWaalsContact C-N 3.31Å; L34-H36 PolarHBondContact O-N 3.02Å; H36-F38 PolarHBondContact O-N 3.15Å; H36-M39 PolarHBondContact O-N 3.31Å; H36-K40 WeakPolarHBondContact O-CB 3.47Å; H36-K40 PolarHBondContact O-N 3.28Å
37A94.1Very high93.1Very high48 Ų4893.3 Ų93.340%0.39747%0.466SS..Hα-helixtrans-63.6-40.7177.800000113R33 L34 K35 N41R33-A37 PolarHBondContact O-N 3.42Å; L34-A37 PolarHBondContact O-N 3.3Å; K35-A37 VanDerWaalsContact C-N 3.34Å; K35-A37 PolarHBondContact O-N 3.02Å; A37-N41 PolarHBondContact O-ND2 3.43Å
38F94.4Very high93.1Very high55 Ų5595.9 Ų95.924%0.24147%0.47CS..Hα-helixtrans-71.7-40.4176.2-81.8-107.4000111.6V9 L12 Y13 L16 L34 K35 H36 K40 N41 K42V9-F38 HydrophobicContact CG1-CD1 4.02Å; V9-F38 HydrophobicContact CG1-CE1 3.72Å; L12-F38 HydrophobicContact CD2-CZ 4.13Å; L12-F38 HydrophobicContact CG-CZ 4.16Å; Y13-F38 AromaticContact CD2-CD1 3.93Å; Y13-F38 HydrophobicContact CD2-CD1 3.93Å; Y13-F38 AromaticContact CD2-CD2 3.85Å; Y13-F38 HydrophobicContact CD2-CD2 3.85Å; Y13-F38 AromaticContact CD2-CE1 4Å; Y13-F38 HydrophobicContact CD2-CE1 4Å; Y13-F38 AromaticContact CD2-CE2 3.94Å; Y13-F38 HydrophobicContact CD2-CE2 3.94Å; Y13-F38 AromaticContact CD2-CG 3.85Å; Y13-F38 HydrophobicContact CD2-CG 3.85Å; Y13-F38 AromaticContact CD2-CZ 4Å; Y13-F38 HydrophobicContact CD2-CZ 4Å; Y13-F38 HydrophobicContact CE2-CD2 4.4Å; Y13-F38 HydrophobicContact CE2-CG 4.42Å; Y13-F38 HydrophobicContact CG-CE1 4.37Å; Y13-F38 HydrophobicContact CG-CZ 4.48Å; L16-F38 HydrophobicContact CD1-CE2 4.13Å; L16-F38 HydrophobicContact CD1-CZ 4.29Å; L34-F38 HydrophobicContact CD1-CD2 3.97Å; L34-F38 HydrophobicContact CD1-CE2 3.5Å; L34-F38 HydrophobicContact CG-CD2 4.22Å; L34-F38 HydrophobicContact CG-CE2 4.15Å; L34-F38 VanDerWaalsContact O-CD2 3.29Å; L34-F38 WeakPolarHBondContact O-CD2 3.5Å; L34-F38 PolarHBondContact O-N 3.41Å; L34-F38 VanDerWaalsContact O-N 3.11Å; K35-F38 PolarHBondContact O-N 3.12Å; H36-F38 PolarHBondContact O-N 3.15Å; F38-K40 VanDerWaalsContact C-N 3.3Å; F38-K40 PolarHBondContact O-N 3.28Å; F38-N41 PolarHBondContact O-N 3.44Å; F38-K42 PolarHBondContact O-N 3.45Å
39M94.4Very high93.1Very high101 Ų10196.6 Ų96.650%0.49846%0.459SS..Hα-helixtrans-64.2-33.6177.5-71.7-63.2-68.800112.6K35 H36 N41 K42K35-M39 HydrophobicContact CG-CG 4.13Å; K35-M39 WeakPolarHBondContact O-CB 3.47Å; K35-M39 WeakPolarHBondContact O-CG 3.36Å; K35-M39 PolarHBondContact O-N 2.95Å; H36-M39 PolarHBondContact O-N 3.31Å; M39-N41 PolarHBondContact O-N 3.45Å; M39-K42 HydrophobicContact CE-CD 4.11Å; M39-K42 WeakPolarHBondContact O-CB 3.5Å; M39-K42 VanDerWaalsContact O-CG 3.3Å; M39-K42 WeakPolarHBondContact O-CG 3.48Å; M39-K42 PolarHBondContact O-N 2.88Å
40K94.6Very high93Very high167 Ų16794 Ų9473%0.72645%0.45SS*.Hα-helixtrans-60.8-30.9176.2-175.4178.2177.9-178.10112.9H36 F38H36-K40 WeakPolarHBondContact O-CB 3.47Å; H36-K40 PolarHBondContact O-N 3.28Å; F38-K40 VanDerWaalsContact C-N 3.3Å; F38-K40 PolarHBondContact O-N 3.28Å
41N91.3Very high92.9Very high66 Ų6697.4 Ų97.435%0.35347%0.465SS..THydrogen-bonded Turntrans-107.616.6-177.2-57.4-69000112.6A37 F38 M39 D43 E44 L53A37-N41 PolarHBondContact O-ND2 3.43Å; F38-N41 PolarHBondContact O-N 3.44Å; M39-N41 PolarHBondContact O-N 3.45Å; N41-D43 VanDerWaalsContact C-N 3.25Å; N41-D43 PolarHBondContact O-N 3.42Å; N41-E44 WeakPolarHBondContact O-CB 3.46Å; N41-E44 PolarHBondContact O-N 2.98Å; N41-L53 HydrophobicContact CB-CD1 3.88Å
42K90.5Very high92.8Very high134 Ų13496.9 Ų96.958%0.58347%0.469SS*.THydrogen-bonded Turntrans-64-29.3-173.374.6-179.3-173.8168.40113.7F38 M39F38-K42 PolarHBondContact O-N 3.45Å; M39-K42 HydrophobicContact CE-CD 4.11Å; M39-K42 WeakPolarHBondContact O-CB 3.5Å; M39-K42 VanDerWaalsContact O-CG 3.3Å; M39-K42 WeakPolarHBondContact O-CG 3.48Å; M39-K42 PolarHBondContact O-N 2.88Å
43D90.3Very high92.7Very high126 Ų12692.9 Ų92.967%0.67445%0.451SS*.THydrogen-bonded Turntrans-94.92.5-174.7-56.4-51.9000111.8N41 T45N41-D43 VanDerWaalsContact C-N 3.25Å; N41-D43 PolarHBondContact O-N 3.42Å; D43-T45 PolarHBondContact O-N 3.38Å
44E90.1Very high92.7Very high60 Ų6086 Ų8628%0.2843%0.427SS..  trans-73.9121.8177.2-172.959.7-99.300110.1N41 D46 K49 I50N41-E44 WeakPolarHBondContact O-CB 3.46Å; N41-E44 PolarHBondContact O-N 2.98Å; E44-D46 WeakPolarHBondContact OE1-CB 3.23Å; E44-D46 PolarHBondContact OE1-N 2.9Å; E44-K49 VanDerWaalsContact CD-CD 3.42Å; E44-K49 HydrophobicContact CG-CB 4.03Å; E44-K49 HydrophobicContact CG-CD 4.33Å; E44-K49 IonicContact OE1-NZ 3.71Å; E44-K49 WeakPolarHBondContact OE2-CD 3.35Å; E44-K49 IonicContact OE2-NZ 3.4Å; E44-K49 PolarHBondContact OE2-NZ 3.34Å; E44-I50 HydrophobicContact CG-CG1 4.29Å
45T88.5Confident92.7Very high124 Ų12487.5 Ų87.576%0.76144%0.441SS*.  trans-111.7-11.9-177.955.60000112.9D43 P47D43-T45 PolarHBondContact O-N 3.38Å; T45-P47 VanDerWaalsContact O-CD 3.31Å; T45-P47 WeakPolarHBondContact O-CD 3.46Å
46D91.6Very high92.6Very high61 Ų6190.1 Ų90.133%0.32645%0.448SS..  trans-71.4116.7-179.6-178.3-2.8000111E44 E48 K49 I50E44-D46 WeakPolarHBondContact OE1-CB 3.23Å; E44-D46 PolarHBondContact OE1-N 2.9Å; D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 3.4Å; D46-E48 PolarHBondContact OD1-N 2.95Å; D46-E48 VanDerWaalsContact OD1-N 3.1Å; D46-K49 HydrophobicContact CB-CB 4.14Å; D46-K49 HydrophobicContact CB-CD 4Å; D46-K49 HydrophobicContact CB-CG 4.16Å; D46-K49 PolarHBondContact O-N 3.14Å; D46-K49 WeakPolarHBondContact OD2-CG 3.32Å; D46-I50 VanDerWaalsContact O-CG1 3.28Å; D46-I50 WeakPolarHBondContact O-CG1 3.25Å; D46-I50 PolarHBondContact O-N 2.97Å
47P90.2Very high92.5Very high70 Ų7084.3 Ų84.346%0.45542%0.423SS..Hα-helixtrans-56.6-37.3-179.5-25.735.8000114.1L5 T45 I50 K51L5-P47 HydrophobicContact CD1-CB 3.86Å; T45-P47 VanDerWaalsContact O-CD 3.31Å; T45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-I50 PolarHBondContact O-N 3.31Å; P47-K51 WeakPolarHBondContact O-CG 3.27Å; P47-K51 PolarHBondContact O-N 2.92Å; P47-K51 VanDerWaalsContact O-N 3.08Å
48E91.8Very high92.6Very high102 Ų10285.6 Ų85.648%0.47742%0.423SS..Hα-helixtrans-71.9-41.5-177.1-73.7-56.412900111.3D46 I50 K51 Q52D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 3.4Å; D46-E48 PolarHBondContact OD1-N 2.95Å; D46-E48 VanDerWaalsContact OD1-N 3.1Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 2.92Å; E48-K51 PolarHBondContact O-N 3.36Å; E48-K51 IonicContact OE1-NZ 2.78Å; E48-K51 PolarHBondContact OE1-NZ 3.42Å; E48-Q52 WeakPolarHBondContact O-CG 3.48Å; E48-Q52 PolarHBondContact O-N 2.9Å
49K92.3Very high92.6Very high93 Ų9388.5 Ų88.540%0.40444%0.438SS..Hα-helixtrans-64.4-39173.1-70179.6-168.1167.70112.3E44 D46 K51 Q52 L53E44-K49 VanDerWaalsContact CD-CD 3.42Å; E44-K49 HydrophobicContact CG-CB 4.03Å; E44-K49 HydrophobicContact CG-CD 4.33Å; E44-K49 IonicContact OE1-NZ 3.71Å; E44-K49 WeakPolarHBondContact OE2-CD 3.35Å; E44-K49 IonicContact OE2-NZ 3.4Å; E44-K49 PolarHBondContact OE2-NZ 3.34Å; D46-K49 HydrophobicContact CB-CB 4.14Å; D46-K49 HydrophobicContact CB-CD 4Å; D46-K49 HydrophobicContact CB-CG 4.16Å; D46-K49 PolarHBondContact O-N 3.14Å; D46-K49 WeakPolarHBondContact OD2-CG 3.32Å; K49-K51 VanDerWaalsContact C-N 3.33Å; K49-K51 PolarHBondContact O-N 3.17Å; K49-Q52 PolarHBondContact O-N 3.17Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.01Å
50I92.1Very high92.6Very high23 Ų2386 Ų8612%0.11843%0.428CS..Hα-helixtrans-60.2-45.3176.2-67.7165000110.1L5 V9 E44 D46 P47 E48 Q52 L53 V54L5-I50 HydrophobicContact CB-CG2 3.98Å; L5-I50 HydrophobicContact CD1-CB 4.08Å; L5-I50 HydrophobicContact CD1-CD1 4.3Å; L5-I50 HydrophobicContact CD1-CG2 3.97Å; L5-I50 HydrophobicContact CG-CG2 4.46Å; V9-I50 HydrophobicContact CG2-CG2 3.94Å; E44-I50 HydrophobicContact CG-CG1 4.29Å; D46-I50 VanDerWaalsContact O-CG1 3.28Å; D46-I50 WeakPolarHBondContact O-CG1 3.25Å; D46-I50 PolarHBondContact O-N 2.97Å; P47-I50 PolarHBondContact O-N 3.31Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 2.92Å; I50-Q52 VanDerWaalsContact C-N 3.35Å; I50-Q52 PolarHBondContact O-N 2.98Å; I50-L53 PolarHBondContact O-N 3.32Å; I50-V54 HydrophobicContact CG2-CG2 4.39Å; I50-V54 VanDerWaalsContact O-CG2 3.31Å; I50-V54 WeakPolarHBondContact O-CG2 3.48Å; I50-V54 PolarHBondContact O-N 3.08Å
51K92.8Very high92.5Very high97 Ų9779.1 Ų79.142%0.42240%0.399SS..Hα-helixtrans-59.8-43.5175.5-70.5171.8-172.2169.70112.2L5 P47 E48 K49 L53 V54 A55L5-K51 HydrophobicContact CD2-CG 4.06Å; P47-K51 WeakPolarHBondContact O-CG 3.27Å; P47-K51 PolarHBondContact O-N 2.92Å; P47-K51 VanDerWaalsContact O-N 3.08Å; E48-K51 PolarHBondContact O-N 3.36Å; E48-K51 IonicContact OE1-NZ 2.78Å; E48-K51 PolarHBondContact OE1-NZ 3.42Å; K49-K51 VanDerWaalsContact C-N 3.33Å; K49-K51 PolarHBondContact O-N 3.17Å; K51-L53 VanDerWaalsContact C-N 3.35Å; K51-L53 PolarHBondContact O-N 3.49Å; K51-V54 PolarHBondContact O-N 3.43Å; K51-A55 WeakPolarHBondContact O-CB 3.38Å; K51-A55 PolarHBondContact O-N 3.13Å
52Q94.2Very high92.7Very high136 Ų13682.5 Ų82.564%0.63641%0.41SS*.Hα-helixtrans-62.1-41.3176.8-70175.911.600112.2E48 K49 I50 A55 R56E48-Q52 WeakPolarHBondContact O-CG 3.48Å; E48-Q52 PolarHBondContact O-N 2.9Å; K49-Q52 PolarHBondContact O-N 3.17Å; I50-Q52 VanDerWaalsContact C-N 3.35Å; I50-Q52 PolarHBondContact O-N 2.98Å; Q52-A55 PolarHBondContact O-N 3.36Å; Q52-R56 WeakPolarHBondContact O-CB 3.45Å; Q52-R56 PolarHBondContact O-N 3.46Å
53L94.1Very high92.8Very high59 Ų5982.3 Ų82.331%0.30941%0.412SS..Hα-helixtrans-66.3-38.9176-71.5171.9000112.1N41 K49 I50 K51 R56 G57N41-L53 HydrophobicContact CB-CD1 3.88Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.01Å; I50-L53 PolarHBondContact O-N 3.32Å; K51-L53 VanDerWaalsContact C-N 3.35Å; K51-L53 PolarHBondContact O-N 3.49Å; L53-R56 WeakPolarHBondContact O-CB 3.49Å; L53-R56 PolarHBondContact O-N 3.07Å; L53-G57 PolarHBondContact O-N 3.16Å
54V93.3Very high92.9Very high15 Ų1576.8 Ų76.89%0.09138%0.382CS..Hα-helixtrans-63.2-48.6174.5170.50000110.5V9 L12 I50 K51 R56 G57 D58V9-V54 HydrophobicContact CG2-CG2 3.8Å; L12-V54 HydrophobicContact CD2-CB 4.45Å; L12-V54 HydrophobicContact CD2-CG1 4.39Å; L12-V54 HydrophobicContact CD2-CG2 4.39Å; I50-V54 HydrophobicContact CG2-CG2 4.39Å; I50-V54 VanDerWaalsContact O-CG2 3.31Å; I50-V54 WeakPolarHBondContact O-CG2 3.48Å; I50-V54 PolarHBondContact O-N 3.08Å; K51-V54 PolarHBondContact O-N 3.43Å; V54-R56 VanDerWaalsContact C-N 3.28Å; V54-R56 PolarHBondContact O-N 3.31Å; V54-G57 CarbonylContact O-C 3.59Å; V54-G57 WeakPolarHBondContact O-CA 3.48Å; V54-G57 PolarHBondContact O-N 2.83Å; V54-D58 PolarHBondContact O-N 3.14Å
55A94.5Very high93Very high44 Ų4478 Ų7836%0.36439%0.387SS..Hα-helixtrans-58.1-41.1176.500000111.9K51 Q52 G57 D58 H59K51-A55 WeakPolarHBondContact O-CB 3.38Å; K51-A55 PolarHBondContact O-N 3.13Å; Q52-A55 PolarHBondContact O-N 3.36Å; A55-G57 VanDerWaalsContact C-N 3.29Å; A55-G57 PolarHBondContact O-N 3.05Å; A55-D58 WeakPolarHBondContact O-CB 3.4Å; A55-D58 PolarHBondContact O-N 3.07Å; A55-D58 VanDerWaalsContact O-N 3.16Å; A55-H59 PolarHBondContact O-CD2 2.8Å; A55-H59 PolarHBondContact O-N 3.02Å
56R94.3Very high93.2Very high181 Ų18174.8 Ų74.868%0.68337%0.373SS*.Hα-helixtrans-59.8-40.3172.5-175.7178.9178.2170.13.4111.9Q52 L53 V54 D58 H59 V60Q52-R56 WeakPolarHBondContact O-CB 3.45Å; Q52-R56 PolarHBondContact O-N 3.46Å; L53-R56 WeakPolarHBondContact O-CB 3.49Å; L53-R56 PolarHBondContact O-N 3.07Å; V54-R56 VanDerWaalsContact C-N 3.28Å; V54-R56 PolarHBondContact O-N 3.31Å; R56-D58 VanDerWaalsContact C-N 3.33Å; R56-H59 WeakPolarHBondContact O-CB 3.45Å; R56-H59 PolarHBondContact O-N 3.38Å; R56-V60 WeakPolarHBondContact O-CG2 3.45Å; R56-V60 PolarHBondContact O-N 3.13Å; R56-V60 VanDerWaalsContact O-N 3.15Å
57G94.3Very high93.2Very high9 Ų975 Ų759%0.09337%0.374CS..Hα-helixtrans-61.2-40173.900000113.1L53 V54 A55 H59 V60 I61L53-G57 PolarHBondContact O-N 3.16Å; V54-G57 CarbonylContact O-C 3.59Å; V54-G57 WeakPolarHBondContact O-CA 3.48Å; V54-G57 PolarHBondContact O-N 2.83Å; A55-G57 VanDerWaalsContact C-N 3.29Å; A55-G57 PolarHBondContact O-N 3.05Å; G57-H59 VanDerWaalsContact C-N 3.31Å; G57-H59 PolarHBondContact O-N 3.38Å; G57-V60 WeakPolarHBondContact O-CB 3.41Å; G57-V60 PolarHBondContact O-N 3.45Å; G57-V60 VanDerWaalsContact O-N 3.14Å; G57-I61 PolarHBondContact O-N 2.98Å
58D94.4Very high93.2Very high75 Ų7573.1 Ų73.140%0.40136%0.358SS..Hα-helixtrans-65.8-33.8176.2-65.7-32.9000112.3V54 A55 R56 I61 K62V54-D58 PolarHBondContact O-N 3.14Å; A55-D58 WeakPolarHBondContact O-CB 3.4Å; A55-D58 PolarHBondContact O-N 3.07Å; A55-D58 VanDerWaalsContact O-N 3.16Å; R56-D58 VanDerWaalsContact C-N 3.33Å; D58-I61 WeakPolarHBondContact O-CB 3.45Å; D58-I61 PolarHBondContact O-N 3.44Å; D58-K62 PolarHBondContact O-N 3.25Å
59H95.3Very high93.1Very high116 Ų11675 Ų7554%0.53737%0.365SS..Hα-helixtrans-63.2-43170-76.7-74.9000112A55 R56 G57 I61 K62 E63A55-H59 PolarHBondContact O-CD2 2.8Å; A55-H59 PolarHBondContact O-N 3.02Å; R56-H59 WeakPolarHBondContact O-CB 3.45Å; R56-H59 PolarHBondContact O-N 3.38Å; G57-H59 VanDerWaalsContact C-N 3.31Å; G57-H59 PolarHBondContact O-N 3.38Å; H59-I61 VanDerWaalsContact C-N 3.27Å; H59-I61 PolarHBondContact O-N 3.21Å; H59-K62 WeakPolarHBondContact O-CB 3.21Å; H59-K62 PolarHBondContact O-N 3.46Å; H59-K62 VanDerWaalsContact O-N 3.13Å; H59-E63 PolarHBondContact O-N 3.27Å
60V93.6Very high93.1Very high49 Ų4974 Ų7430%0.29736%0.364SS..Hα-helixtrans-62.9-34.9177.1174.80000111.7L16 R56 G57 K62 E63 L64L16-V60 HydrophobicContact CD2-CB 4.42Å; L16-V60 HydrophobicContact CD2-CG1 3.97Å; R56-V60 WeakPolarHBondContact O-CG2 3.45Å; R56-V60 PolarHBondContact O-N 3.13Å; R56-V60 VanDerWaalsContact O-N 3.15Å; G57-V60 WeakPolarHBondContact O-CB 3.41Å; G57-V60 PolarHBondContact O-N 3.45Å; G57-V60 VanDerWaalsContact O-N 3.14Å; V60-K62 PolarHBondContact O-N 2.92Å; V60-E63 PolarHBondContact O-N 3.47Å; V60-L64 HydrophobicContact CG1-CD1 4.32Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 3.2Å
61I94.3Very high93Very high22 Ų2279.2 Ų79.211%0.11338%0.382CS..Hα-helixtrans-56.9-49.8172.6-73.4172.9000110.5L12 T15 L16 L19 G57 D58 H59 E63 L64 E65L12-I61 HydrophobicContact CD1-CD1 3.76Å; T15-I61 HydrophobicContact CG2-CD1 3.63Å; T15-I61 HydrophobicContact CG2-CG1 4.33Å; L16-I61 HydrophobicContact CD2-CG1 3.61Å; L16-I61 HydrophobicContact CG-CG1 4.11Å; L19-I61 HydrophobicContact CD1-CB 4.2Å; L19-I61 HydrophobicContact CD1-CG1 4.02Å; L19-I61 HydrophobicContact CD1-CG2 3.68Å; G57-I61 PolarHBondContact O-N 2.98Å; D58-I61 WeakPolarHBondContact O-CB 3.45Å; D58-I61 PolarHBondContact O-N 3.44Å; H59-I61 VanDerWaalsContact C-N 3.27Å; H59-I61 PolarHBondContact O-N 3.21Å; I61-E63 VanDerWaalsContact C-N 3.31Å; I61-E63 PolarHBondContact O-N 3.25Å; I61-L64 WeakPolarHBondContact O-CB 3.41Å; I61-L64 PolarHBondContact O-N 3.41Å; I61-L64 VanDerWaalsContact O-N 3.16Å; I61-E65 WeakPolarHBondContact O-CG 3.3Å; I61-E65 PolarHBondContact O-N 3.38Å
62K94.6Very high92.9Very high137 Ų13781.2 Ų81.260%0.59639%0.391SS*.Hα-helixtrans-62.5-37.4179.6-66.1178.5-178.7178.40112.4D58 H59 V60 E65 A66D58-K62 PolarHBondContact O-N 3.25Å; H59-K62 WeakPolarHBondContact O-CB 3.21Å; H59-K62 PolarHBondContact O-N 3.46Å; H59-K62 VanDerWaalsContact O-N 3.13Å; V60-K62 PolarHBondContact O-N 2.92Å; K62-E65 PolarHBondContact O-N 2.97Å; K62-A66 WeakPolarHBondContact O-CB 3.41Å; K62-A66 PolarHBondContact O-N 3.38Å
63E93Very high92.9Very high130 Ų13080.7 Ų80.761%0.60738%0.384SS*.Hα-helixtrans-63.9-41.7175-69.3177.5166.700112H59 V60 I61 A66 L67H59-E63 PolarHBondContact O-N 3.27Å; V60-E63 PolarHBondContact O-N 3.47Å; I61-E63 VanDerWaalsContact C-N 3.31Å; I61-E63 PolarHBondContact O-N 3.25Å; E63-A66 PolarHBondContact O-N 3.16Å; E63-L67 PolarHBondContact O-N 2.92Å
64L91.8Very high92.7Very high10 Ų1085.9 Ų85.95%0.05240%0.399CS..Hα-helixtrans-64.7-43.1175.6-71.3171.6000111.5L16 L19 Y23 F30 V60 I61 L67 Y68L16-L64 HydrophobicContact CD2-CD1 4.03Å; L19-L64 HydrophobicContact CB-CD1 4.12Å; Y23-L64 HydrophobicContact CD2-CD2 3.9Å; Y23-L64 HydrophobicContact CE2-CD2 4.11Å; F30-L64 HydrophobicContact CE2-CD1 3.96Å; F30-L64 HydrophobicContact CE2-CD2 4.03Å; F30-L64 HydrophobicContact CZ-CD1 3.75Å; V60-L64 HydrophobicContact CG1-CD1 4.32Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 3.2Å; I61-L64 WeakPolarHBondContact O-CB 3.41Å; I61-L64 PolarHBondContact O-N 3.41Å; I61-L64 VanDerWaalsContact O-N 3.16Å; L64-L67 WeakPolarHBondContact O-CB 3.46Å; L64-L67 PolarHBondContact O-N 3.41Å; L64-Y68 HydrophobicContact CB-CE2 4.44Å; L64-Y68 WeakPolarHBondContact O-CD2 3.49Å; L64-Y68 PolarHBondContact O-N 2.49Å
65E91.8Very high92.6Very high84 Ų8487.5 Ų87.539%0.39341%0.414SS..Hα-helixtrans-60-45.7174.4-71.2176.416400111.9I61 K62 L67 Y68 F69I61-E65 WeakPolarHBondContact O-CG 3.3Å; I61-E65 PolarHBondContact O-N 3.38Å; K62-E65 PolarHBondContact O-N 2.97Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 3.45Å; E65-Y68 WeakPolarHBondContact O-CA 3.47Å; E65-Y68 WeakPolarHBondContact O-CB 3.01Å; E65-Y68 PolarHBondContact O-N 2.97Å; E65-F69 HydrophobicContact CB-CE2 4.29Å; E65-F69 WeakPolarHBondContact O-CD2 3.5Å; E65-F69 PolarHBondContact O-N 2.89Å
66A93.3Very high92.5Very high57 Ų5790 Ų9047%0.47142%0.42SS..Hα-helixtrans-59.3-41.3175.500000111.9K62 E63 Y68 F69 L70K62-A66 WeakPolarHBondContact O-CB 3.41Å; K62-A66 PolarHBondContact O-N 3.38Å; E63-A66 PolarHBondContact O-N 3.16Å; A66-Y68 VanDerWaalsContact C-N 3.31Å; A66-Y68 PolarHBondContact O-N 2.99Å; A66-F69 PolarHBondContact O-N 3.31Å; A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 PolarHBondContact O-N 3.45Å
67L91.1Very high92.4Very high65 Ų6586.4 Ų86.434%0.3441%0.409SS..Hα-helixtrans-61.4-40.3174.2-173.868.9000111.6Y23 P24 E63 L64 E65 L70 R71Y23-L67 HydrophobicContact CE2-CD2 4.38Å; P24-L67 HydrophobicContact CG-CD2 4.07Å; E63-L67 PolarHBondContact O-N 2.92Å; L64-L67 WeakPolarHBondContact O-CB 3.46Å; L64-L67 PolarHBondContact O-N 3.41Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 3.45Å; L67-L70 PolarHBondContact O-N 3.07Å; L67-R71 WeakPolarHBondContact O-CB 3.48Å; L67-R71 PolarHBondContact O-N 2.78Å
68Y90.1Very high92.2Very high31 Ų3193.1 Ų93.112%0.12244%0.436CS..Hα-helixtrans-62.7-46.3174.7-74.6-55.1000112.6L19 E22 Y23 L64 E65 A66 R71 K72L19-Y68 WeakPolarHBondContact O-CE2 3.49Å; L19-Y68 PolarHBondContact O-OH 3.33Å; E22-Y68 VanDerWaalsContact C-OH 3.25Å; E22-Y68 WeakPolarHBondContact CA-OH 3.39Å; E22-Y68 HydrophobicContact CB-CE1 3.4Å; E22-Y68 VanDerWaalsContact CB-CE1 3.4Å; E22-Y68 VanDerWaalsContact CB-OH 3.3Å; E22-Y68 WeakPolarHBondContact CB-OH 3.07Å; E22-Y68 HydrophobicContact CG-CE1 4.41Å; E22-Y68 PolarHBondContact N-OH 3.44Å; Y23-Y68 PolarHBondContact N-OH 3.49Å; L64-Y68 HydrophobicContact CB-CE2 4.44Å; L64-Y68 WeakPolarHBondContact O-CD2 3.49Å; L64-Y68 PolarHBondContact O-N 2.49Å; E65-Y68 WeakPolarHBondContact O-CA 3.47Å; E65-Y68 WeakPolarHBondContact O-CB 3.01Å; E65-Y68 PolarHBondContact O-N 2.97Å; A66-Y68 VanDerWaalsContact C-N 3.31Å; A66-Y68 PolarHBondContact O-N 2.99Å; Y68-R71 PolarHBondContact O-N 3.04Å; Y68-K72 WeakPolarHBondContact O-CG 3.45Å; Y68-K72 PolarHBondContact O-N 3.41Å
69F91Very high92Very high141 Ų14199.4 Ų99.462%0.61845%0.454SS*.Hα-helixtrans-61.8-43.6176.2-70.2-59000111.8E65 A66 R71 K72 Y73E65-F69 HydrophobicContact CB-CE2 4.29Å; E65-F69 WeakPolarHBondContact O-CD2 3.5Å; E65-F69 PolarHBondContact O-N 2.89Å; A66-F69 PolarHBondContact O-N 3.31Å; F69-R71 VanDerWaalsContact C-N 3.33Å; F69-R71 PolarHBondContact O-N 3.41Å; F69-K72 PolarHBondContact O-N 2.93Å; F69-Y73 WeakPolarHBondContact O-CB 3.31Å; F69-Y73 PolarHBondContact O-N 3.27Å
70L91.8Very high91.7Very high74 Ų74102.3 Ų102.339%0.38746%0.461SS..Hα-helixtrans-61.2-42177.5-176.763000111.8A66 L67 Y73 R74A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 PolarHBondContact O-N 3.45Å; L67-L70 PolarHBondContact O-N 3.07Å; L70-Y73 PolarHBondContact O-N 2.98Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 VanDerWaalsContact O-CG 3.31Å; L70-R74 WeakPolarHBondContact O-CG 3.41Å; L70-R74 PolarHBondContact O-N 2.91Å
71R89.8Confident91.2Very high131 Ų131108.2 Ų108.249%0.49448%0.48SS..Hα-helixtrans-62-45.9176.1-172.7175.771.7132.5-3.3111.5E22 L67 Y68 F69 R74 A75E22-R71 IonicContact OE2-CZ 2.76Å; E22-R71 IonicContact OE2-NH2 3.99Å; E22-R71 PolarHBondContact OE2-NH2 3.04Å; L67-R71 WeakPolarHBondContact O-CB 3.48Å; L67-R71 PolarHBondContact O-N 2.78Å; Y68-R71 PolarHBondContact O-N 3.04Å; F69-R71 VanDerWaalsContact C-N 3.33Å; F69-R71 PolarHBondContact O-N 3.41Å; R71-R74 PolarHBondContact O-N 3.48Å; R71-A75 PolarHBondContact O-N 3.42Å
72K90.5Very high90.1Very high140 Ų140112.7 Ų112.761%0.60950%0.504SS*.Hα-helixtrans-61.1-46.3176.3-74.3-179.9178.71800111.4Y68 F69 R74 A75 M76Y68-K72 WeakPolarHBondContact O-CG 3.45Å; Y68-K72 PolarHBondContact O-N 3.41Å; F69-K72 PolarHBondContact O-N 2.93Å; K72-R74 PolarHBondContact O-N 2.81Å; K72-A75 PolarHBondContact O-N 2.85Å; K72-M76 WeakPolarHBondContact O-CB 3.41Å; K72-M76 PolarHBondContact O-N 3.36Å
73Y93.8Very high88.5Confident125 Ų125111.6 Ų111.649%0.4951%0.511SS..Hα-helixtrans-59.4-46.9176.9174.2-100.7000112F69 L70 A75 M76 K77F69-Y73 WeakPolarHBondContact O-CB 3.31Å; F69-Y73 PolarHBondContact O-N 3.27Å; L70-Y73 PolarHBondContact O-N 2.98Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.24Å; Y73-M76 HydrophobicContact CD2-CE 4.21Å; Y73-M76 PolarHBondContact O-N 3.07Å; Y73-K77 HydrophobicContact CE1-CD 4.29Å; Y73-K77 WeakPolarHBondContact O-CB 3.48Å; Y73-K77 PolarHBondContact O-N 3.4Å
74R90.5Very high86.9Confident167 Ų167113.9 Ų113.963%0.6352%0.521SS*.Hα-helixtrans-59.4-42.6176.6-74.6175.8179.1178.9-0.3112.3L70 R71 K72 K78L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 VanDerWaalsContact O-CG 3.31Å; L70-R74 WeakPolarHBondContact O-CG 3.41Å; L70-R74 PolarHBondContact O-N 2.91Å; R71-R74 PolarHBondContact O-N 3.48Å; K72-R74 PolarHBondContact O-N 2.81Å; R74-K78 WeakPolarHBondContact O-CB 3.47Å; R74-K78 PolarHBondContact O-N 3.27Å
75A91Very high85Confident49 Ų49126.9 Ų126.941%0.40558%0.577SS.*Hα-helixtrans-65-43.4177.200000112.2R71 K72 Y73 R79R71-A75 PolarHBondContact O-N 3.42Å; K72-A75 PolarHBondContact O-N 2.85Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.24Å; A75-R79 WeakPolarHBondContact O-CG 3.37Å; A75-R79 PolarHBondContact O-N 3.41Å
76M92.4Very high84.6Confident96 Ų96129.1 Ų129.147%0.47359%0.587SS.*Hα-helixtrans-63.1-48.4175.6-173.2-178.677.500111.1K72 Y73 K78 R79 Y80K72-M76 WeakPolarHBondContact O-CB 3.41Å; K72-M76 PolarHBondContact O-N 3.36Å; Y73-M76 HydrophobicContact CD2-CE 4.21Å; Y73-M76 PolarHBondContact O-N 3.07Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 2.9Å; M76-R79 PolarHBondContact O-N 3.11Å; M76-Y80 HydrophobicContact CG-CD2 3.68Å; M76-Y80 HydrophobicContact CG-CE2 3.84Å; M76-Y80 WeakPolarHBondContact O-CD2 3.33Å; M76-Y80 PolarHBondContact O-N 3.22Å; M76-Y80 VanDerWaalsContact O-N 3.11Å
77K92.8Very high84.2Confident106 Ų106132.8 Ų132.846%0.46159%0.593SS.*Hα-helixtrans-55.6-46.4178.8-175.3178.7177.3179.20111.3Y73 R79 Y80 Y81Y73-K77 HydrophobicContact CE1-CD 4.29Å; Y73-K77 WeakPolarHBondContact O-CB 3.48Å; Y73-K77 PolarHBondContact O-N 3.4Å; K77-R79 VanDerWaalsContact C-N 3.31Å; K77-R79 PolarHBondContact O-N 2.92Å; K77-Y80 PolarHBondContact O-N 3.04Å; K77-Y81 HydrophobicContact CG-CD2 4.09Å; K77-Y81 WeakPolarHBondContact O-CB 3.25Å; K77-Y81 PolarHBondContact O-N 3.32Å
78K90.5Very high83.8Confident151 Ų151136.6 Ų136.666%0.65761%0.607SS**Hα-helixtrans-59.6-38.6177.1-172.6177.9-180-177.90112.8R74 M76 D82R74-K78 WeakPolarHBondContact O-CB 3.47Å; R74-K78 PolarHBondContact O-N 3.27Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 2.9Å; K78-D82 PolarHBondContact O-N 3.45Å
79R90.2Very high83.4Confident207 Ų207142.8 Ų142.878%0.78164%0.635SS**Hα-helixtrans-72.5-36.3-178.6-72177.5-177.3-162.8-0.5113.7A75 M76 K77A75-R79 WeakPolarHBondContact O-CG 3.37Å; A75-R79 PolarHBondContact O-N 3.41Å; M76-R79 PolarHBondContact O-N 3.11Å; K77-R79 VanDerWaalsContact C-N 3.31Å; K77-R79 PolarHBondContact O-N 2.92Å
80Y88.9Confident82.9Confident177 Ų177142.9 Ų142.969%0.69464%0.636SS**Hα-helixtrans-99.8-23.1-172.9-71.5-78.3000114.1M76 K77M76-Y80 HydrophobicContact CG-CD2 3.68Å; M76-Y80 HydrophobicContact CG-CE2 3.84Å; M76-Y80 WeakPolarHBondContact O-CD2 3.33Å; M76-Y80 PolarHBondContact O-N 3.22Å; M76-Y80 VanDerWaalsContact O-N 3.11Å; K77-Y80 PolarHBondContact O-N 3.04Å
81Y81.9Confident82.4Confident173 Ų173147.5 Ų147.568%0.67865%0.653SS**Hα-helixtrans-120.7-7-172.3-60.4-86.7000114.8K77 P83K77-Y81 HydrophobicContact CG-CD2 4.09Å; K77-Y81 WeakPolarHBondContact O-CB 3.25Å; K77-Y81 PolarHBondContact O-N 3.32Å; Y81-P83 VanDerWaalsContact O-CD 3.25Å; Y81-P83 WeakPolarHBondContact O-CD 3.38Å
82D71.9Confident81.8Confident115 Ų115148.7 Ų148.762%0.61566%0.664SS**  trans-111.275.6165.8-76.9-37.1000109.1K78 E84K78-D82 PolarHBondContact O-N 3.45Å; D82-E84 PolarHBondContact O-N 3.24Å
83P60.4Low81.2Confident115 Ų115149.4 Ų149.475%0.74767%0.669SS**  trans-72.5-4.6-176.430.3-35.4000114.4Y81Y81-P83 VanDerWaalsContact O-CD 3.25Å; Y81-P83 WeakPolarHBondContact O-CD 3.38Å
84E59.8Low80.1Confident177 Ų177151.4 Ų151.483%0.82768%0.684SS**  trans-130.1102.5-172.8-68.8-177.3169.800113.2D82D82-E84 PolarHBondContact O-N 3.24Å
85K51Low79.2Confident284 Ų284150 Ų150100%1.23569%0.688SS**  trans-137.50133.8-104.6-163.7179.8-169.10109.1

Retrieved 85 of 85 residues in 203.6 ms (Link to these results)