A0A077Z259_TRITR Loading...

Alcohol dehydrogenase class-3

AlphaFold DB , UniProt , Accession A0A077Z259, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.6Low83.9Confident118 Ų11889.3 Ų89.358%0.58153%0.533SS*.  088.80-66.9-175.5-164.200109.4E5 W93M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 PolarHBondContact N-OE1 2.93Å; M1-E5 PolarHBondContact N-OE2 2.79Å; M1-W93 HydrophobicContact CE-CH2 3.69Å; M1-W93 HydrophobicContact CE-CZ2 3.2Å; M1-W93 HydrophobicContact SD-CH2 4.45Å; M1-W93 HydrophobicContact SD-CZ2 3.46Å; M1-W93 WeakPolarHBondContact SD-CZ2 3.49Å
2G74.6Confident84.5Confident30 Ų3089.2 Ų89.231%0.30953%0.526SS..  trans-130.1172.317800000111.8D4 S6G2-D4 PolarHBondContact O-N 3.24Å; G2-S6 PolarHBondContact O-N 3.31Å; G2-S6 PolarHBondContact O-OG 3.02Å
3A83.1Confident84.9Confident54 Ų5483.9 Ų83.945%0.44650%0.499SS..THydrogen-bonded Turntrans-61.7-35.8169.600000110.8S6 A8 I11A3-S6 PolarHBondContact O-N 3.43Å; A3-A8 HydrophobicContact CB-CB 4.26Å; A3-A8 WeakPolarHBondContact O-CB 3.47Å; A3-A8 PolarHBondContact O-N 3.3Å; A3-I11 HydrophobicContact CB-CD1 3.71Å; A3-I11 HydrophobicContact CB-CG1 3.96Å
4D85.2Confident85Confident96 Ų9684.4 Ų84.451%0.51350%0.497SS..G310 helixtrans-63.7-50.8176.6-166.855.6000111.8G2 S6 D7 I11G2-D4 PolarHBondContact O-N 3.24Å; D4-S6 PolarHBondContact O-N 3.11Å; D4-S6 VanDerWaalsContact O-N 3.07Å; D4-D7 PolarHBondContact O-N 3.32Å; D4-I11 HydrophobicContact CB-CD1 4.02Å
5E84.3Confident85Confident122 Ų12281.5 Ų81.557%0.5748%0.478SS*.G310 helixtrans-63.5-14.5173.8-68.1174.7-136.100114.6M1 D7M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 PolarHBondContact N-OE1 2.93Å; M1-E5 PolarHBondContact N-OE2 2.79Å; E5-D7 VanDerWaalsContact C-N 3.3Å
6S86Confident84.5Confident90 Ų9077.4 Ų77.463%0.62946%0.456SS*.G310 helixtrans-94.314.6177.3-53.20000112.2G2 A3 D4 A8G2-S6 PolarHBondContact O-N 3.31Å; G2-S6 PolarHBondContact O-OG 3.02Å; A3-S6 PolarHBondContact O-N 3.43Å; D4-S6 PolarHBondContact O-N 3.11Å; D4-S6 VanDerWaalsContact O-N 3.07Å; S6-A8 VanDerWaalsContact C-N 3.25Å; S6-A8 PolarHBondContact O-N 3.35Å
7D86.4Confident83.6Confident152 Ų15279.4 Ų79.481%0.81346%0.458SS*.THydrogen-bonded Turntrans54.737.6-177.2-64.6-41.4000113.2D4 E5 S9D4-D7 PolarHBondContact O-N 3.32Å; E5-D7 VanDerWaalsContact C-N 3.3Å; D7-S9 PolarHBondContact O-N 2.85Å
8A88.7Confident82.6Confident44 Ų4475.8 Ų75.836%0.36444%0.438SS..  trans-62.5122.1174.300000110.1A3 S6 M10 I11A3-A8 HydrophobicContact CB-CB 4.26Å; A3-A8 WeakPolarHBondContact O-CB 3.47Å; A3-A8 PolarHBondContact O-N 3.3Å; S6-A8 VanDerWaalsContact C-N 3.25Å; S6-A8 PolarHBondContact O-N 3.35Å; A8-M10 PolarHBondContact O-N 3.37Å; A8-I11 HydrophobicContact CB-CD1 4.36Å; A8-I11 HydrophobicContact CB-CG1 3.95Å
9S90.5Very high81.7Confident132 Ų13276.2 Ų76.292%0.92345%0.451SS*.SBendtrans-65.5-23.7-178.959.90000114D7D7-S9 PolarHBondContact O-N 2.85Å
10M91.1Very high81.2Confident110 Ų11074.9 Ų74.954%0.54244%0.444SS..  trans-153.4128.4178.2-175.5177.8-7400110.3A8 I12 A33A8-M10 PolarHBondContact O-N 3.37Å; M10-I12 HydrophobicContact CG-CG1 4.04Å; M10-I12 HydrophobicContact SD-CD1 4Å; M10-I12 HydrophobicContact SD-CG1 4.1Å; M10-A33 HydrophobicContact CG-CB 4.4Å
11I92.5Very high81Confident34 Ų3476.5 Ų76.517%0.17446%0.456CS..  trans-115.6120.6173.5-58.6169000107.6A3 D4 A8 A32 A33 H34A3-I11 HydrophobicContact CB-CD1 3.71Å; A3-I11 HydrophobicContact CB-CG1 3.96Å; D4-I11 HydrophobicContact CB-CD1 4.02Å; A8-I11 HydrophobicContact CB-CD1 4.36Å; A8-I11 HydrophobicContact CB-CG1 3.95Å; I11-A32 HydrophobicContact CG2-CB 4.3Å; I11-A32 CarbonylContact O-C 3.59Å; I11-A33 PolarHBondContact O-N 3.46Å; I11-H34 PolarHBondContact O-N 2.78Å
12I91.1Very high82.1Confident88 Ų8875 Ų7545%0.45145%0.446SS..EExtended strand (participates in β ladder)trans-108.5113.4176.3-56.8178.1000107.7M10 I14 H34 Y36M10-I12 HydrophobicContact CG-CG1 4.04Å; M10-I12 HydrophobicContact SD-CD1 4Å; M10-I12 HydrophobicContact SD-CG1 4.1Å; I12-I14 HydrophobicContact CG2-CG1 4.29Å; I12-H34 HydrophobicContact CG1-CB 4.49Å; I12-H34 HydrophobicContact CG2-CB 4.43Å; I12-Y36 HydrophobicContact CG2-CD2 3.64Å; I12-Y36 HydrophobicContact CG2-CE2 3.82Å
13A89.5Confident82.5Confident21 Ų2175.2 Ų75.217%0.17444%0.441CS..EExtended strand (participates in β ladder)trans-87.313517400000110.2A27 A32 H34 F35 Y36A13-A27 HydrophobicContact CB-CB 3.82Å; A13-A32 HydrophobicContact CB-CB 3.75Å; A13-H34 PolarHBondContact N-O 3.16Å; A13-F35 HydrophobicContact CB-CD2 3.79Å; A13-F35 HydrophobicContact CB-CE2 4.5Å; A13-F35 WeakPolarHBondContact O-CA 3.39Å; A13-Y36 PolarHBondContact O-N 3.47Å
14I86.7Confident82.5Confident91 Ų9174.1 Ų74.147%0.46743%0.43SS..EExtended strand (participates in β ladder)trans-127.6117.6177.1-58.1178.6000107.5I12 Y36 P38I12-I14 HydrophobicContact CG2-CG1 4.29Å; I14-Y36 WeakPolarHBondContact CA-O 3.45Å; I14-P38 HydrophobicContact CG2-CG 3.6Å
15D85Confident82.6Confident41 Ų4175.7 Ų75.722%0.21943%0.432CS..  trans-116.6119172.2-160.4-37.1000109.7F17 T18 F35 Y36 N37D15-F17 PolarHBondContact OD1-N 2.85Å; D15-T18 PolarHBondContact OD1-N 3.24Å; D15-T18 PolarHBondContact OD2-OG1 3.24Å; D15-F35 HydrophobicContact CB-CE2 3.87Å; D15-F35 HydrophobicContact CB-CZ 3.54Å; D15-Y36 PolarHBondContact N-O 3.45Å; D15-Y36 VanDerWaalsContact N-O 3.08Å; D15-N37 VanDerWaalsContact O-CA 3.22Å; D15-N37 WeakPolarHBondContact O-CA 3.44Å; D15-N37 WeakPolarHBondContact O-CB 3.48Å; D15-N37 PolarHBondContact O-ND2 2.88Å; D15-N37 PolarHBondContact O-OD1 3.46Å
16A77Confident82.7Confident15 Ų1572.3 Ų72.312%0.12441%0.414CS..SBendtrans-96.8-9.8-176.600000113.3R40 T45A16-R40 VanDerWaalsContact CB-O 3.32Å; A16-R40 WeakPolarHBondContact CB-O 3.4Å; A16-T45 HydrophobicContact CB-CG2 4.36Å
17F69.7Low82.9Confident111 Ų11169 Ų6949%0.48739%0.392SS..SBendtrans-103.7-38.7-173.2-66.2-80.2000111.6D15 H42D15-F17 PolarHBondContact OD1-N 2.85Å; F17-H42 HydrophobicContact CE1-CB 4.35Å; F17-H42 HydrophobicContact CE2-CB 4.49Å; F17-H42 AromaticContact CE2-CD2 3.88Å; F17-H42 HydrophobicContact CZ-CB 3.66Å; F17-H42 AromaticContact CZ-CD2 3.71Å; F17-H42 AromaticContact CZ-CG 3.97Å
18T64.4Low82.9Confident16 Ų1669.3 Ų69.310%0.09838%0.382CS..  trans-132128.8-167.861.60000110.8D15 T20 D23 N37 R136D15-T18 PolarHBondContact OD1-N 3.24Å; D15-T18 PolarHBondContact OD2-OG1 3.24Å; T18-T20 VanDerWaalsContact C-N 3.34Å; T18-D23 VanDerWaalsContact CB-OD2 3.26Å; T18-D23 WeakPolarHBondContact CB-OD2 3.43Å; T18-D23 PolarHBondContact OG1-OD2 3.01Å; T18-N37 VanDerWaalsContact C-ND2 3.25Å; T18-N37 PolarHBondContact O-ND2 3.41Å; T18-R136 WeakPolarHBondContact CG2-O 3.28Å
19A65.3Low82.9Confident82 Ų8272 Ų7268%0.67839%0.387SS*.  trans-102.232.8175.400000110.7N37A19-N37 WeakPolarHBondContact CA-ND2 3.44Å; A19-N37 WeakPolarHBondContact CB-ND2 3.32Å; A19-N37 PolarHBondContact N-ND2 3.1Å
20T72.4Confident82.8Confident51 Ų5168.9 Ų68.931%0.31336%0.357SS..  trans-76.1138.2-179.179.90000109.6T18 F22 D23T18-T20 VanDerWaalsContact C-N 3.34Å; T20-F22 PolarHBondContact O-N 3.15Å; T20-F22 VanDerWaalsContact O-N 3.11Å; T20-D23 PolarHBondContact O-N 3.44Å; T20-D23 PolarHBondContact OG1-N 3.31Å; T20-D23 PolarHBondContact OG1-OD2 3.03Å
21P78.2Confident82.7Confident108 Ų10865 Ų6570%0.70135%0.345SS*.Hα-helixtrans-54.8-28.1170.9-27.335.4000112.2S24 F25P21-S24 PolarHBondContact O-N 2.92Å; P21-S24 PolarHBondContact O-OG 2.87Å; P21-F25 WeakPolarHBondContact O-CB 3.48Å; P21-F25 PolarHBondContact O-N 3.09Å
22F82.9Confident82.6Confident86 Ų8663.7 Ų63.738%0.37734%0.339SS..Hα-helixtrans-62.5-45.5177.9-175.5-98.1000112.8T20 S24 F25 R26 T118T20-F22 PolarHBondContact O-N 3.15Å; T20-F22 VanDerWaalsContact O-N 3.11Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.11Å; F22-F25 WeakPolarHBondContact O-CB 3.38Å; F22-F25 PolarHBondContact O-N 3.46Å; F22-R26 HydrophobicContact CD1-CG 4.13Å; F22-R26 HydrophobicContact CE1-CG 3.77Å; F22-R26 HydrophobicContact CE2-CG 4.35Å; F22-R26 HydrophobicContact CZ-CG 3.91Å; F22-R26 VanDerWaalsContact CZ-NE 3.3Å; F22-R26 WeakPolarHBondContact O-CG 3.44Å; F22-R26 PolarHBondContact O-N 3.44Å; F22-T118 HydrophobicContact CE1-CG2 4.42Å; F22-T118 HydrophobicContact CZ-CG2 4.38Å
23D83.2Confident82.6Confident36 Ų3662.1 Ų62.119%0.19334%0.34CS..Hα-helixtrans-66.1-39.9-179.7-58-40000111.1T18 T20 F25 R26 A27 F35T18-D23 VanDerWaalsContact CB-OD2 3.26Å; T18-D23 WeakPolarHBondContact CB-OD2 3.43Å; T18-D23 PolarHBondContact OG1-OD2 3.01Å; T20-D23 PolarHBondContact O-N 3.44Å; T20-D23 PolarHBondContact OG1-N 3.31Å; T20-D23 PolarHBondContact OG1-OD2 3.03Å; D23-F25 VanDerWaalsContact C-N 3.32Å; D23-F25 PolarHBondContact O-N 3.29Å; D23-R26 PolarHBondContact O-N 3.32Å; D23-A27 VanDerWaalsContact O-CB 3.3Å; D23-A27 WeakPolarHBondContact O-CB 2.85Å; D23-A27 PolarHBondContact O-N 3.21Å; D23-F35 HydrophobicContact CB-CE2 4.47Å; D23-F35 HydrophobicContact CB-CZ 4.27Å
24S83.5Confident82.6Confident31 Ų3165 Ų6522%0.21735%0.349CS..Hα-helixtrans-64.5-37.9174.979.60000112.4P21 F22 R28P21-S24 PolarHBondContact O-N 2.92Å; P21-S24 PolarHBondContact O-OG 2.87Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.11Å; S24-R28 VanDerWaalsContact O-CG 3.31Å; S24-R28 WeakPolarHBondContact O-CG 3.26Å; S24-R28 PolarHBondContact O-N 3.37Å; S24-R28 VanDerWaalsContact O-N 3.16Å
25F87.3Confident82.6Confident128 Ų12862.6 Ų62.656%0.56134%0.335SS*.Hα-helixtrans-66.2-47.9176.9174.5-95.1000110.8P21 F22 D23 R28 Q29P21-F25 WeakPolarHBondContact O-CB 3.48Å; P21-F25 PolarHBondContact O-N 3.09Å; F22-F25 WeakPolarHBondContact O-CB 3.38Å; F22-F25 PolarHBondContact O-N 3.46Å; D23-F25 VanDerWaalsContact C-N 3.32Å; D23-F25 PolarHBondContact O-N 3.29Å; F25-R28 PolarHBondContact O-N 3.11Å; F25-Q29 PolarHBondContact O-N 2.95Å
26R86.4Confident82.7Confident52 Ų5266.9 Ų66.920%0.19635%0.349CS..Hα-helixtrans-62.9-44.6177.3-71.6-62-164.6148.412.2111.9F22 D23 R28 Q29 F30 A115F22-R26 HydrophobicContact CD1-CG 4.13Å; F22-R26 HydrophobicContact CE1-CG 3.77Å; F22-R26 HydrophobicContact CE2-CG 4.35Å; F22-R26 HydrophobicContact CZ-CG 3.91Å; F22-R26 VanDerWaalsContact CZ-NE 3.3Å; F22-R26 WeakPolarHBondContact O-CG 3.44Å; F22-R26 PolarHBondContact O-N 3.44Å; D23-R26 PolarHBondContact O-N 3.32Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.19Å; R26-Q29 WeakPolarHBondContact O-CB 3.45Å; R26-Q29 PolarHBondContact O-N 2.95Å; R26-Q29 VanDerWaalsContact O-N 3.14Å; R26-F30 WeakPolarHBondContact O-CD2 3.31Å; R26-F30 PolarHBondContact O-N 3.38Å; R26-F30 VanDerWaalsContact O-N 3.11Å; R26-A115 PolarHBondContact NH1-O 3.14Å; R26-A115 PolarHBondContact NH2-O 2.95Å; R26-A115 VanDerWaalsContact NH2-O 3.1Å
27A88.3Confident83Confident20 Ų2068.5 Ų68.517%0.16536%0.356CS..Hα-helixtrans-57-44.117700000111.6A13 D23 F30 G31 A32 F35A13-A27 HydrophobicContact CB-CB 3.82Å; D23-A27 VanDerWaalsContact O-CB 3.3Å; D23-A27 WeakPolarHBondContact O-CB 2.85Å; D23-A27 PolarHBondContact O-N 3.21Å; A27-F30 CarbonylContact O-C 3.54Å; A27-F30 PolarHBondContact O-N 2.6Å; A27-G31 PolarHBondContact O-N 3.19Å; A27-A32 VanDerWaalsContact C-CB 3.5Å; A27-A32 HydrophobicContact CB-CB 3.95Å; A27-A32 WeakPolarHBondContact O-CB 3.34Å; A27-A32 PolarHBondContact O-N 2.88Å; A27-F35 HydrophobicContact CB-CD2 3.79Å; A27-F35 HydrophobicContact CB-CE2 4.25Å
28R88.1Confident83.1Confident159 Ų15965.3 Ų65.360%0.635%0.346SS*.Hα-helixtrans-67.5-37.3176.6-71.6176.6-176.9-166.33.1112.9S24 F25 R26 F30 G31 A32S24-R28 VanDerWaalsContact O-CG 3.31Å; S24-R28 WeakPolarHBondContact O-CG 3.26Å; S24-R28 PolarHBondContact O-N 3.37Å; S24-R28 VanDerWaalsContact O-N 3.16Å; F25-R28 PolarHBondContact O-N 3.11Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.19Å; R28-F30 PolarHBondContact O-N 2.65Å; R28-G31 PolarHBondContact O-N 3.19Å; R28-G31 VanDerWaalsContact O-N 3.13Å; R28-A32 WeakPolarHBondContact CG-O 3.39Å
29Q88Confident83.3Confident100 Ų10069.8 Ų69.847%0.46738%0.378SS..Hα-helixtrans-58.2-35.7174.7-172.8-1791.700111.5F25 R26F25-Q29 PolarHBondContact O-N 2.95Å; R26-Q29 WeakPolarHBondContact O-CB 3.45Å; R26-Q29 PolarHBondContact O-N 2.95Å; R26-Q29 VanDerWaalsContact O-N 3.14Å
30F87.6Confident83Confident67 Ų6772.4 Ų72.429%0.29437%0.37SS..THydrogen-bonded Turntrans-94.924.8177.8-62.3-66.4000114.1R26 A27 R28 A115 F116R26-F30 WeakPolarHBondContact O-CD2 3.31Å; R26-F30 PolarHBondContact O-N 3.38Å; R26-F30 VanDerWaalsContact O-N 3.11Å; A27-F30 CarbonylContact O-C 3.54Å; A27-F30 PolarHBondContact O-N 2.6Å; R28-F30 PolarHBondContact O-N 2.65Å; F30-A115 HydrophobicContact CE1-CB 4.03Å; F30-A115 HydrophobicContact CZ-CB 3.54Å; F30-F116 HydrophobicContact CE1-CE2 4.39Å; F30-F116 HydrophobicContact CE1-CZ 4.06Å; F30-F116 HydrophobicContact CE2-CE1 4.08Å; F30-F116 HydrophobicContact CE2-CZ 4.26Å; F30-F116 AromaticContact CZ-CE1 4Å; F30-F116 HydrophobicContact CZ-CE1 4Å; F30-F116 HydrophobicContact CZ-CE2 4.21Å; F30-F116 AromaticContact CZ-CZ 3.79Å; F30-F116 HydrophobicContact CZ-CZ 3.79Å
31G89.3Confident82.4Confident27 Ų2776.7 Ų76.728%0.27839%0.387SS..THydrogen-bonded Turntrans94.63.2169.700000116.4A27 R28 A33A27-G31 PolarHBondContact O-N 3.19Å; R28-G31 PolarHBondContact O-N 3.19Å; R28-G31 VanDerWaalsContact O-N 3.13Å; G31-A33 PolarHBondContact O-N 3.2Å
32A90.2Very high81.5Confident8 Ų874.1 Ų74.17%0.06637%0.365CS..  trans-68117.2175.300000111.5I11 A13 A27 R28I11-A32 HydrophobicContact CG2-CB 4.3Å; I11-A32 CarbonylContact O-C 3.59Å; A13-A32 HydrophobicContact CB-CB 3.75Å; A27-A32 VanDerWaalsContact C-CB 3.5Å; A27-A32 HydrophobicContact CB-CB 3.95Å; A27-A32 WeakPolarHBondContact O-CB 3.34Å; A27-A32 PolarHBondContact O-N 2.88Å; R28-A32 WeakPolarHBondContact CG-O 3.39Å
33A90.7Very high80.5Confident55 Ų5571.5 Ų71.546%0.45536%0.357SS..SBendtrans-72.2-36.5175.900000111.9M10 I11 G31M10-A33 HydrophobicContact CG-CB 4.4Å; I11-A33 PolarHBondContact O-N 3.46Å; G31-A33 PolarHBondContact O-N 3.2Å
34H90.2Very high79.7Confident80 Ų8072.3 Ų72.337%0.3736%0.363SS..EExtended strand (participates in β ladder)trans-132.7145.8179.5-60.1-68.6000111I11 I12 A13 Y36I11-H34 PolarHBondContact O-N 2.78Å; I12-H34 HydrophobicContact CG1-CB 4.49Å; I12-H34 HydrophobicContact CG2-CB 4.43Å; A13-H34 PolarHBondContact N-O 3.16Å; H34-Y36 HydrophobicContact CB-CD2 4.34Å; H34-Y36 HydrophobicContact CB-CE2 3.61Å
35F87.8Confident79.2Confident42 Ų4272.1 Ų72.118%0.18436%0.361CS..EExtended strand (participates in β ladder)trans-128.5128.6177-177.4-87.9000109.2A13 D15 D23 A27A13-F35 HydrophobicContact CB-CD2 3.79Å; A13-F35 HydrophobicContact CB-CE2 4.5Å; A13-F35 WeakPolarHBondContact O-CA 3.39Å; D15-F35 HydrophobicContact CB-CE2 3.87Å; D15-F35 HydrophobicContact CB-CZ 3.54Å; D23-F35 HydrophobicContact CB-CE2 4.47Å; D23-F35 HydrophobicContact CB-CZ 4.27Å; A27-F35 HydrophobicContact CB-CD2 3.79Å; A27-F35 HydrophobicContact CB-CE2 4.25Å
36Y86.7Confident78.5Confident131 Ų13166.9 Ų66.951%0.51434%0.338SS..EExtended strand (participates in β ladder)trans-129.1138.9179.1-64.5-82.3000110.8I12 A13 I14 D15 H34 P38I12-Y36 HydrophobicContact CG2-CD2 3.64Å; I12-Y36 HydrophobicContact CG2-CE2 3.82Å; A13-Y36 PolarHBondContact O-N 3.47Å; I14-Y36 WeakPolarHBondContact CA-O 3.45Å; D15-Y36 PolarHBondContact N-O 3.45Å; D15-Y36 VanDerWaalsContact N-O 3.08Å; H34-Y36 HydrophobicContact CB-CD2 4.34Å; H34-Y36 HydrophobicContact CB-CE2 3.61Å; Y36-P38 WeakPolarHBondContact O-CD 3.32Å
37N81.9Confident77.9Confident49 Ų4965.5 Ų65.526%0.26234%0.338SS..  trans-114.498.2169.8-175.8-41000110.4D15 T18 A19 S39D15-N37 VanDerWaalsContact O-CA 3.22Å; D15-N37 WeakPolarHBondContact O-CA 3.44Å; D15-N37 WeakPolarHBondContact O-CB 3.48Å; D15-N37 PolarHBondContact O-ND2 2.88Å; D15-N37 PolarHBondContact O-OD1 3.46Å; T18-N37 VanDerWaalsContact C-ND2 3.25Å; T18-N37 PolarHBondContact O-ND2 3.41Å; A19-N37 WeakPolarHBondContact CA-ND2 3.44Å; A19-N37 WeakPolarHBondContact CB-ND2 3.32Å; A19-N37 PolarHBondContact N-ND2 3.1Å; N37-S39 PolarHBondContact O-N 2.61Å; N37-S39 WeakPolarHBondContact OD1-CA 3.42Å; N37-S39 PolarHBondContact OD1-N 2.87Å
38P73.5Confident77.4Confident43 Ų4368.9 Ų68.928%0.27935%0.347SS..  trans-83.8104.2165.332.1-27.2000107I14 Y36 R40I14-P38 HydrophobicContact CG2-CG 3.6Å; Y36-P38 WeakPolarHBondContact O-CD 3.32Å; P38-R40 PolarHBondContact O-N 3.08Å
39S68.8Low76.8Confident110 Ų11064 Ų6477%0.76934%0.335SS*.  trans-60.951.5-171.8-32.30000115.3N37N37-S39 PolarHBondContact O-N 2.61Å; N37-S39 WeakPolarHBondContact OD1-CA 3.42Å; N37-S39 PolarHBondContact OD1-N 2.87Å
40R57.7Low76.3Confident137 Ų13760 Ų6052%0.51732%0.316SS..  trans-138.3141.9-163.2-65.8-172.7177.1138.2-2112.2A16 P38 T45 R48A16-R40 VanDerWaalsContact CB-O 3.32Å; A16-R40 WeakPolarHBondContact CB-O 3.4Å; P38-R40 PolarHBondContact O-N 3.08Å; R40-T45 PolarHBondContact O-OG1 2.95Å; R40-R48 VanDerWaalsContact CD-CZ 3.5Å
41Q59.5Low75.9Confident142 Ų14262.4 Ų62.466%0.66433%0.328SS*.  trans-57.2144.6-174.7-59.3176.44.300114.7T43 T44 T45Q41-T43 VanDerWaalsContact C-N 3.35Å; Q41-T43 PolarHBondContact O-N 2.85Å; Q41-T44 PolarHBondContact O-N 3.18Å; Q41-T44 PolarHBondContact O-OG1 3.41Å; Q41-T45 PolarHBondContact O-N 3.14Å
42H61Low75.5Confident53 Ų5365.9 Ų65.925%0.24535%0.347CS..Hα-helixtrans-32.8-51-178-168-118.8000117.1F17 T44 T45 I46F17-H42 HydrophobicContact CE1-CB 4.35Å; F17-H42 HydrophobicContact CE2-CB 4.49Å; F17-H42 AromaticContact CE2-CD2 3.88Å; F17-H42 HydrophobicContact CZ-CB 3.66Å; F17-H42 AromaticContact CZ-CD2 3.71Å; F17-H42 AromaticContact CZ-CG 3.97Å; H42-T44 VanDerWaalsContact C-N 3.3Å; H42-T44 PolarHBondContact O-N 3.18Å; H42-T45 WeakPolarHBondContact O-CA 3.34Å; H42-T45 VanDerWaalsContact O-CB 3.29Å; H42-T45 WeakPolarHBondContact O-CB 3.34Å; H42-T45 PolarHBondContact O-N 2.93Å; H42-I46 PolarHBondContact O-N 3.36Å; H42-I46 VanDerWaalsContact O-N 3.12Å
43T60.4Low75.2Confident31 Ų3166.6 Ų66.619%0.1935%0.351CS..Hα-helixtrans-70.2-31.5-173.547.20000112.8Q41 T45 A47 P67 K70Q41-T43 VanDerWaalsContact C-N 3.35Å; Q41-T43 PolarHBondContact O-N 2.85Å; T43-T45 PolarHBondContact O-N 2.87Å; T43-A47 PolarHBondContact O-N 2.72Å; T43-P67 HydrophobicContact CG2-CG 4.18Å; T43-K70 HydrophobicContact CG2-CB 4.01Å; T43-K70 HydrophobicContact CG2-CD 3.34Å; T43-K70 HydrophobicContact CG2-CG 4.31Å
44T66.8Low74.8Confident53 Ų5368.3 Ų68.333%0.32535%0.35SS..Hα-helixtrans-71.1-26.5172.973.30000111.4Q41 H42 R48Q41-T44 PolarHBondContact O-N 3.18Å; Q41-T44 PolarHBondContact O-OG1 3.41Å; H42-T44 VanDerWaalsContact C-N 3.3Å; H42-T44 PolarHBondContact O-N 3.18Å; T44-R48 WeakPolarHBondContact O-CB 3.22Å; T44-R48 VanDerWaalsContact O-CG 3.23Å; T44-R48 WeakPolarHBondContact O-CG 3.23Å; T44-R48 PolarHBondContact O-N 3.08Å; T44-R48 PolarHBondContact OG1-NH1 3.06Å
45T72.5Confident73.8Confident28 Ų2871.4 Ų71.417%0.17236%0.362CS..Hα-helixtrans-71.3-46.6177.7-48.90000110.8A16 R40 Q41 H42 T43 A47 R48 T49A16-T45 HydrophobicContact CB-CG2 4.36Å; R40-T45 PolarHBondContact O-OG1 2.95Å; Q41-T45 PolarHBondContact O-N 3.14Å; H42-T45 WeakPolarHBondContact O-CA 3.34Å; H42-T45 VanDerWaalsContact O-CB 3.29Å; H42-T45 WeakPolarHBondContact O-CB 3.34Å; H42-T45 PolarHBondContact O-N 2.93Å; T43-T45 PolarHBondContact O-N 2.87Å; T45-A47 PolarHBondContact O-N 2.94Å; T45-R48 PolarHBondContact O-N 3.49Å; T45-T49 PolarHBondContact O-N 3.13Å; T45-T49 PolarHBondContact O-OG1 3.32Å
46I74.1Confident72.7Confident17 Ų1779.2 Ų79.29%0.08739%0.39CS..Hα-helixtrans-58.4-47.8178.5-60.5172.5000111.3H42 R48 T49 F50 I62 I72H42-I46 PolarHBondContact O-N 3.36Å; H42-I46 VanDerWaalsContact O-N 3.12Å; I46-R48 VanDerWaalsContact C-N 3.34Å; I46-R48 PolarHBondContact O-N 3.39Å; I46-T49 WeakPolarHBondContact O-CB 3.3Å; I46-T49 PolarHBondContact O-N 3.33Å; I46-F50 HydrophobicContact CG2-CD2 4.25Å; I46-F50 HydrophobicContact CG2-CE2 3.65Å; I46-F50 WeakPolarHBondContact O-CD2 3.47Å; I46-F50 PolarHBondContact O-N 3.31Å; I46-I62 HydrophobicContact CD1-CG2 4.47Å; I46-I62 HydrophobicContact CG2-CD1 3.93Å; I46-I62 HydrophobicContact CG2-CG1 4.07Å; I46-I72 HydrophobicContact CB-CG2 4.39Å; I46-I72 HydrophobicContact CD1-CD1 3.89Å; I46-I72 HydrophobicContact CG2-CD1 4.28Å; I46-I72 HydrophobicContact CG2-CG2 3.55Å
47A73.8Confident72.3Confident24 Ų2482.2 Ų82.220%0.19840%0.401CS..Hα-helixtrans-59.7-44.2177.700000112T43 T45 T49 F50 E51T43-A47 PolarHBondContact O-N 2.72Å; T45-A47 PolarHBondContact O-N 2.94Å; A47-T49 VanDerWaalsContact C-N 3.32Å; A47-T49 PolarHBondContact O-N 3.46Å; A47-F50 WeakPolarHBondContact O-CB 3.38Å; A47-F50 PolarHBondContact O-N 3.3Å; A47-E51 PolarHBondContact O-N 3.11Å; A47-E51 VanDerWaalsContact O-N 3.16Å
48R77.2Confident72.1Confident91 Ų9180.7 Ų80.734%0.34340%0.395SS..Hα-helixtrans-64.4-33.8177.6-76.3-175.7-174.9109.86.3113.2R40 T44 T45 I46 F50 E51 C52R40-R48 VanDerWaalsContact CD-CZ 3.5Å; T44-R48 WeakPolarHBondContact O-CB 3.22Å; T44-R48 VanDerWaalsContact O-CG 3.23Å; T44-R48 WeakPolarHBondContact O-CG 3.23Å; T44-R48 PolarHBondContact O-N 3.08Å; T44-R48 PolarHBondContact OG1-NH1 3.06Å; T45-R48 PolarHBondContact O-N 3.49Å; I46-R48 VanDerWaalsContact C-N 3.34Å; I46-R48 PolarHBondContact O-N 3.39Å; R48-F50 VanDerWaalsContact C-N 3.26Å; R48-F50 PolarHBondContact O-N 3.03Å; R48-E51 PolarHBondContact O-N 3.12Å; R48-E51 VanDerWaalsContact O-N 3.11Å; R48-C52 PolarHBondContact O-N 2.86Å; R48-C52 PolarHBondContact O-SG 2.99Å
49T76Confident72.3Confident57 Ų5782.9 Ų82.935%0.3541%0.407SS..Hα-helixtrans-60.5-38.5175.1-560000111.4T45 I46 A47 C52 S53T45-T49 PolarHBondContact O-N 3.13Å; T45-T49 PolarHBondContact O-OG1 3.32Å; I46-T49 WeakPolarHBondContact O-CB 3.3Å; I46-T49 PolarHBondContact O-N 3.33Å; A47-T49 VanDerWaalsContact C-N 3.32Å; A47-T49 PolarHBondContact O-N 3.46Å; T49-C52 PolarHBondContact O-SG 2.98Å; T49-S53 PolarHBondContact O-N 2.77Å; T49-S53 PolarHBondContact O-OG 3.18Å
50F75.9Confident72.7Confident15 Ų1578.6 Ų78.67%0.06638%0.378CS..Hα-helixtrans-68.4-40.8173.5-67.6-66.4000111.5I46 A47 R48 S53 S60 I62 I72 P74 R78 F83I46-F50 HydrophobicContact CG2-CD2 4.25Å; I46-F50 HydrophobicContact CG2-CE2 3.65Å; I46-F50 WeakPolarHBondContact O-CD2 3.47Å; I46-F50 PolarHBondContact O-N 3.31Å; A47-F50 WeakPolarHBondContact O-CB 3.38Å; A47-F50 PolarHBondContact O-N 3.3Å; R48-F50 VanDerWaalsContact C-N 3.26Å; R48-F50 PolarHBondContact O-N 3.03Å; F50-S53 PolarHBondContact O-N 3.47Å; F50-S60 VanDerWaalsContact CD1-CB 3.49Å; F50-S60 VanDerWaalsContact CE1-CB 3.44Å; F50-I62 HydrophobicContact CE2-CD1 3.92Å; F50-I62 HydrophobicContact CE2-CG1 4.17Å; F50-I62 HydrophobicContact CZ-CD1 3.67Å; F50-I62 HydrophobicContact CZ-CG1 3.72Å; F50-I72 HydrophobicContact CE2-CG2 4.14Å; F50-P74 HydrophobicContact CB-CB 4.18Å; F50-P74 HydrophobicContact CD2-CB 4.24Å; F50-P74 HydrophobicContact CG-CB 4.27Å; F50-R78 PolarHBondContact O-NH1 3.24Å; F50-R78 PolarHBondContact O-NH2 2.92Å; F50-F83 AromaticContact CD1-CE1 3.99Å; F50-F83 HydrophobicContact CD1-CE1 3.99Å; F50-F83 HydrophobicContact CE1-CD1 4.21Å; F50-F83 AromaticContact CE1-CE1 3.61Å; F50-F83 HydrophobicContact CE1-CE1 3.61Å; F50-F83 HydrophobicContact CZ-CE1 4.22Å
51E79.2Confident73.7Confident118 Ų11876.2 Ų76.255%0.55137%0.374SS*.Hα-helixtrans-63.9-41.3-179.2-70.9172.8177.500113.2A47 R48 S53A47-E51 PolarHBondContact O-N 3.11Å; A47-E51 VanDerWaalsContact O-N 3.16Å; R48-E51 PolarHBondContact O-N 3.12Å; R48-E51 VanDerWaalsContact O-N 3.11Å; E51-S53 VanDerWaalsContact C-N 3.32Å; E51-S53 PolarHBondContact O-N 3.24Å
52C82.8Confident74.5Confident100 Ų10073 Ų7368%0.67636%0.361SS*.Hα-helixtrans-75.1-20.1-179.969.50000113.7R48 T49R48-C52 PolarHBondContact O-N 2.86Å; R48-C52 PolarHBondContact O-SG 2.99Å; T49-C52 PolarHBondContact O-SG 2.98Å
53S82.5Confident75.3Confident22 Ų2275.9 Ų75.915%0.15438%0.377CS..SBendtrans-70.1140.6179.8-66.30000111.8T49 F50 E51 K55 S60 R78T49-S53 PolarHBondContact O-N 2.77Å; T49-S53 PolarHBondContact O-OG 3.18Å; F50-S53 PolarHBondContact O-N 3.47Å; E51-S53 VanDerWaalsContact C-N 3.32Å; E51-S53 PolarHBondContact O-N 3.24Å; S53-K55 PolarHBondContact O-N 3.48Å; S53-S60 WeakPolarHBondContact CB-OG 3.29Å; S53-S60 PolarHBondContact OG-OG 3.48Å; S53-R78 PolarHBondContact O-NH1 2.99Å
54H81.7Confident76Confident92 Ų9277.3 Ų77.343%0.42640%0.398SS..  trans-58.4128.7-179.7-173-79.9000112.2R56 W57 A58H54-R56 PolarHBondContact ND1-N 3.41Å; H54-R56 PolarHBondContact O-N 3.33Å; H54-W57 HydrophobicContact CB-CD2 4.27Å; H54-W57 HydrophobicContact CB-CZ2 3.99Å; H54-W57 AromaticContact CD2-CE2 3.91Å; H54-W57 AromaticContact CD2-NE1 3.54Å; H54-W57 AromaticContact CE1-CD1 3.25Å; H54-W57 AromaticContact CE1-CE2 4Å; H54-W57 AromaticContact CE1-NE1 2.99Å; H54-W57 PolarHBondContact CE1-NE1 2.9Å; H54-W57 AromaticContact CG-CD1 3.8Å; H54-W57 AromaticContact CG-CE2 3.48Å; H54-W57 VanDerWaalsContact CG-CE2 3.48Å; H54-W57 AromaticContact CG-CZ2 3.86Å; H54-W57 AromaticContact CG-NE1 3.24Å; H54-W57 AromaticContact ND1-CD1 3Å; H54-W57 AromaticContact ND1-CE2 3.54Å; H54-W57 AromaticContact ND1-CG 3.7Å; H54-W57 AromaticContact ND1-NE1 2.87Å; H54-W57 PolarHBondContact ND1-NE1 3.37Å; H54-W57 AromaticContact NE2-NE1 3.4Å; H54-W57 PolarHBondContact NE2-NE1 3.32Å; H54-A58 HydrophobicContact CB-CB 3.99Å; H54-A58 VanDerWaalsContact N-CB 3.27Å; H54-A58 WeakPolarHBondContact O-CB 3.42Å; H54-A58 PolarHBondContact O-N 3.2Å
55K71.1Confident76.4Confident145 Ų14579.2 Ų79.263%0.6342%0.419SS*.THydrogen-bonded Turntrans-62.4-17.2-164.2-66.7-178.3-1791780116.5S53 R78S53-K55 PolarHBondContact O-N 3.48Å; K55-R78 WeakPolarHBondContact O-CD 3.38Å; K55-R78 WeakPolarHBondContact O-CG 3.11Å
56R64.3Low76.4Confident206 Ų20680 Ų8078%0.77743%0.428SS*.THydrogen-bonded Turntrans-116-28.6-171.8-68.2-173.5174.4-159.2-1.2115.9H54H54-R56 PolarHBondContact ND1-N 3.41Å; H54-R56 PolarHBondContact O-N 3.33Å
57W77.1Confident76.2Confident193 Ų19382 Ų8273%0.73144%0.443SS*.THydrogen-bonded Turntrans-136.9-5.7-168.455.7-98.7000113.3H54H54-W57 HydrophobicContact CB-CD2 4.27Å; H54-W57 HydrophobicContact CB-CZ2 3.99Å; H54-W57 AromaticContact CD2-CE2 3.91Å; H54-W57 AromaticContact CD2-NE1 3.54Å; H54-W57 AromaticContact CE1-CD1 3.25Å; H54-W57 AromaticContact CE1-CE2 4Å; H54-W57 AromaticContact CE1-NE1 2.99Å; H54-W57 PolarHBondContact CE1-NE1 2.9Å; H54-W57 AromaticContact CG-CD1 3.8Å; H54-W57 AromaticContact CG-CE2 3.48Å; H54-W57 VanDerWaalsContact CG-CE2 3.48Å; H54-W57 AromaticContact CG-CZ2 3.86Å; H54-W57 AromaticContact CG-NE1 3.24Å; H54-W57 AromaticContact ND1-CD1 3Å; H54-W57 AromaticContact ND1-CE2 3.54Å; H54-W57 AromaticContact ND1-CG 3.7Å; H54-W57 AromaticContact ND1-NE1 2.87Å; H54-W57 PolarHBondContact ND1-NE1 3.37Å; H54-W57 AromaticContact NE2-NE1 3.4Å; H54-W57 PolarHBondContact NE2-NE1 3.32Å
58A78.5Confident76.4Confident17 Ų1785.9 Ų85.914%0.1447%0.474CS..  trans-75.1142.817600000110.6H54H54-A58 HydrophobicContact CB-CB 3.99Å; H54-A58 VanDerWaalsContact N-CB 3.27Å; H54-A58 WeakPolarHBondContact O-CB 3.42Å; H54-A58 PolarHBondContact O-N 3.2Å
59V77.9Confident76.2Confident89 Ų8985.8 Ų85.854%0.53950%0.502SS..  trans-107.4125.6169.7-1780000106.8I61V59-I61 HydrophobicContact CG1-CG1 4.06Å
60S76.3Confident75.9Confident21 Ų2187.9 Ų87.915%0.14751%0.506CS..  trans-110.9125.1173.2-510000107.9F50 S53F50-S60 VanDerWaalsContact CD1-CB 3.49Å; F50-S60 VanDerWaalsContact CE1-CB 3.44Å; S53-S60 WeakPolarHBondContact CB-OG 3.29Å; S53-S60 PolarHBondContact OG-OG 3.48Å
61I78.2Confident75.4Confident86 Ų8695.2 Ų95.244%0.44154%0.541SS..  trans-110.7122.8-179.1-54.5176.7000107.5V59 L63 F88V59-I61 HydrophobicContact CG1-CG1 4.06Å; I61-L63 HydrophobicContact CG2-CD2 3.74Å; I61-L63 HydrophobicContact CG2-CG 4.19Å; I61-F88 HydrophobicContact CD1-CE2 4.46Å; I61-F88 HydrophobicContact CG2-CD1 4.16Å; I61-F88 HydrophobicContact CG2-CE1 4.18Å; I61-F88 HydrophobicContact CG2-CG 4.32Å; I61-F88 HydrophobicContact CG2-CZ 4.33Å
62I78Confident74.7Confident76 Ų7692 Ų9239%0.3953%0.527SS..  trans-82.7118.7173.1-59.7174.8000107.9I46 F50 I72I46-I62 HydrophobicContact CD1-CG2 4.47Å; I46-I62 HydrophobicContact CG2-CD1 3.93Å; I46-I62 HydrophobicContact CG2-CG1 4.07Å; F50-I62 HydrophobicContact CE2-CD1 3.92Å; F50-I62 HydrophobicContact CE2-CG1 4.17Å; F50-I62 HydrophobicContact CZ-CD1 3.67Å; F50-I62 HydrophobicContact CZ-CG1 3.72Å; I62-I72 HydrophobicContact CD1-CD1 4.27Å
63L76.9Confident73.6Confident113 Ų11391.4 Ų91.459%0.59252%0.52SS*.  trans-115.8120.1170.1-54.9-179.4000108I61 F88I61-L63 HydrophobicContact CG2-CD2 3.74Å; I61-L63 HydrophobicContact CG2-CG 4.19Å; L63-F88 HydrophobicContact CD1-CE1 4.32Å; L63-F88 HydrophobicContact CD2-CD1 3.19Å; L63-F88 HydrophobicContact CD2-CE1 3.16Å; L63-F88 HydrophobicContact CD2-CG 4.37Å; L63-F88 HydrophobicContact CD2-CZ 4.32Å; L63-F88 HydrophobicContact CG-CE1 4.35Å
64G75.7Confident72.5Confident61 Ų6192.2 Ų92.263%0.62953%0.525SS*.SBendtrans126.1156.7-177.200000112.6
65A74.1Confident71.1Confident92 Ų9291.2 Ų91.276%0.7654%0.54SS*.PPolyproline II helixtrans-88.3129.4175.800000110
66A72.1Confident69.9Low44 Ų4487.1 Ų87.136%0.36453%0.528SS..PPolyproline II helixtrans-74.5145.5169.900000109.9I72A66-I72 HydrophobicContact CB-CD1 4.01Å
67P71.5Confident69Low60 Ų6082 Ų8239%0.3953%0.53SS..PPolyproline II helixtrans-61.9142.3171.228.6-35.5000109.8T43 G69 K70T43-P67 HydrophobicContact CG2-CG 4.18Å; P67-G69 PolarHBondContact O-N 3.44Å; P67-K70 HydrophobicContact CG-CB 4.14Å; P67-K70 HydrophobicContact CG-CD 3.58Å; P67-K70 HydrophobicContact CG-CG 3.89Å; P67-K70 PolarHBondContact O-N 3.44Å
68A77.6Confident67.6Low105 Ų10574.4 Ų74.487%0.86850%0.501SS*.THydrogen-bonded Turntrans-54.7136.2179.700000111.3K70A68-K70 PolarHBondContact O-N 3.18Å
69G71.8Confident65.9Low90 Ų9083.6 Ų83.693%0.92854%0.538SS*.THydrogen-bonded Turntrans82.5-0.2176.500000116.3P67P67-G69 PolarHBondContact O-N 3.44Å
70K69.8Low64.2Low100 Ų10082.1 Ų82.144%0.43554%0.541SS..  trans-95.9118.4172.3-66.6-162.9-175.4175.90111.3T43 P67 A68T43-K70 HydrophobicContact CG2-CB 4.01Å; T43-K70 HydrophobicContact CG2-CD 3.34Å; T43-K70 HydrophobicContact CG2-CG 4.31Å; P67-K70 HydrophobicContact CG-CB 4.14Å; P67-K70 HydrophobicContact CG-CD 3.58Å; P67-K70 HydrophobicContact CG-CG 3.89Å; P67-K70 PolarHBondContact O-N 3.44Å; A68-K70 PolarHBondContact O-N 3.18Å
71E66.6Low62.9Low169 Ų16982.1 Ų82.179%0.7954%0.542SS*.  trans-78.9133.7174-158.5-179.4173.200110.7V73E71-V73 HydrophobicContact CB-CG2 4.13Å; E71-V73 HydrophobicContact CG-CG2 3.49Å; E71-V73 VanDerWaalsContact CG-CG2 3.49Å; E71-V73 VanDerWaalsContact OE1-CG2 3.31Å; E71-V73 WeakPolarHBondContact OE1-CG2 3.48Å
72I64.1Low61.5Low51 Ų5181.3 Ų81.326%0.26255%0.549SS..  trans-99.286173.8-56.7165.3000106.2I46 F50 I62 A66 P74I46-I72 HydrophobicContact CB-CG2 4.39Å; I46-I72 HydrophobicContact CD1-CD1 3.89Å; I46-I72 HydrophobicContact CG2-CD1 4.28Å; I46-I72 HydrophobicContact CG2-CG2 3.55Å; F50-I72 HydrophobicContact CE2-CG2 4.14Å; I62-I72 HydrophobicContact CD1-CD1 4.27Å; A66-I72 HydrophobicContact CB-CD1 4.01Å; I72-P74 WeakPolarHBondContact O-CD 3.1Å
73V59.8Low60.2Low88 Ų8882.9 Ų82.953%0.53355%0.553SS.*  trans-96.3104.4175.2-171.40000108.4E71 G75E71-V73 HydrophobicContact CB-CG2 4.13Å; E71-V73 HydrophobicContact CG-CG2 3.49Å; E71-V73 VanDerWaalsContact CG-CG2 3.49Å; E71-V73 VanDerWaalsContact OE1-CG2 3.31Å; E71-V73 WeakPolarHBondContact OE1-CG2 3.48Å; V73-G75 PolarHBondContact O-N 3.18Å
74P58.8Low58.7Low38 Ų3879.2 Ų79.225%0.24754%0.542CS..  trans-63.7122.4167.323.8-29.1000108.4F50 I72 C76 F83F50-P74 HydrophobicContact CB-CB 4.18Å; F50-P74 HydrophobicContact CD2-CB 4.24Å; F50-P74 HydrophobicContact CG-CB 4.27Å; I72-P74 WeakPolarHBondContact O-CD 3.1Å; P74-C76 PolarHBondContact O-N 3.16Å; P74-F83 HydrophobicContact CG-CZ 4.43Å
75G52Low56.9Low72 Ų7281.1 Ų81.174%0.74255%0.552SS**SBendtrans-62.37-175.100000116.3V73V73-G75 PolarHBondContact O-N 3.18Å
76C45.8Very low55.4Low58 Ų5881.9 Ų81.939%0.39255%0.547SS..SBendtrans-139.2125.7163.884.60000110.6P74 R78P74-C76 PolarHBondContact O-N 3.16Å; C76-R78 VanDerWaalsContact C-N 3.27Å; C76-R78 PolarHBondContact O-N 3.37Å; C76-R78 PolarHBondContact SG-NE 3.41Å
77A46.9Very low53.9Low98 Ų9886.8 Ų86.881%0.8157%0.567SS**  trans-62.49116500000108.7K79A77-K79 PolarHBondContact O-N 3.39Å
78R47.6Very low53Low34 Ų3486.8 Ų86.813%0.12856%0.561CS.*  trans-82.882.3-170.7-156.1175.2-84.4-171.91.2109.2F50 S53 K55 C76 G80 A81F50-R78 PolarHBondContact O-NH1 3.24Å; F50-R78 PolarHBondContact O-NH2 2.92Å; S53-R78 PolarHBondContact O-NH1 2.99Å; K55-R78 WeakPolarHBondContact O-CD 3.38Å; K55-R78 WeakPolarHBondContact O-CG 3.11Å; C76-R78 VanDerWaalsContact C-N 3.27Å; C76-R78 PolarHBondContact O-N 3.37Å; C76-R78 PolarHBondContact SG-NE 3.41Å; R78-G80 PolarHBondContact O-N 2.95Å; R78-A81 HydrophobicContact CB-CB 4.41Å; R78-A81 HydrophobicContact CG-CB 4.19Å; R78-A81 PolarHBondContact O-N 3.48Å
79K43.2Very low52Low210 Ų21088.1 Ų88.191%0.91356%0.558SS**THydrogen-bonded Turntrans-5999.2173-67-178.6-179.9-179.50109A77A77-K79 PolarHBondContact O-N 3.39Å
80G41.8Very low51.3Low59 Ų5988.2 Ų88.261%0.60854%0.537SS*.THydrogen-bonded Turntrans129.8-15.9174.700000115.7R78R78-G80 PolarHBondContact O-N 2.95Å
81A48.6Very low50.7Low20 Ų2088.7 Ų88.717%0.16554%0.539CS..SBendtrans-78.6124169.200000108.8R78 F83R78-A81 HydrophobicContact CB-CB 4.41Å; R78-A81 HydrophobicContact CG-CB 4.19Å; R78-A81 PolarHBondContact O-N 3.48Å; A81-F83 HydrophobicContact CB-CE2 4.4Å; A81-F83 WeakPolarHBondContact O-CD2 3.38Å; A81-F83 PolarHBondContact O-N 3.11Å
82A48.7Very low50.5Low70 Ų7083.5 Ų83.558%0.57953%0.531SS*.  trans-66.499171.400000108.1G84A82-G84 VanDerWaalsContact C-N 3.31Å; A82-G84 PolarHBondContact O-N 2.76Å
83F50.2Low50.7Low109 Ų10983.9 Ų83.948%0.47853%0.529SS..  trans-71.394.7166.9-78.5-86.4000107.3F50 P74 A81 A85F50-F83 AromaticContact CD1-CE1 3.99Å; F50-F83 HydrophobicContact CD1-CE1 3.99Å; F50-F83 HydrophobicContact CE1-CD1 4.21Å; F50-F83 AromaticContact CE1-CE1 3.61Å; F50-F83 HydrophobicContact CE1-CE1 3.61Å; F50-F83 HydrophobicContact CZ-CE1 4.22Å; P74-F83 HydrophobicContact CG-CZ 4.43Å; A81-F83 HydrophobicContact CB-CE2 4.4Å; A81-F83 WeakPolarHBondContact O-CD2 3.38Å; A81-F83 PolarHBondContact O-N 3.11Å; F83-A85 PolarHBondContact O-N 3.39Å
84G46.8Very low51.3Low35 Ų3587.2 Ų87.236%0.36154%0.537SS..  trans-72.670.8173.100000110.8A82 V86A82-G84 VanDerWaalsContact C-N 3.31Å; A82-G84 PolarHBondContact O-N 2.76Å; G84-V86 PolarHBondContact O-N 3.18Å; G84-V86 VanDerWaalsContact O-N 3.14Å
85A38Very low51.9Low102 Ų10290.8 Ų90.884%0.84355%0.554SS**  trans-81.663.5159.100000108.2F83F83-A85 PolarHBondContact O-N 3.39Å
86V42Very low53.2Low107 Ų10798.1 Ų98.165%0.64856%0.559SS**SBendtrans-104.2121.2171.3-82.20000106.4G84 F88G84-V86 PolarHBondContact O-N 3.18Å; G84-V86 VanDerWaalsContact O-N 3.14Å; V86-F88 VanDerWaalsContact C-N 3.27Å; V86-F88 WeakPolarHBondContact O-CA 3.4Å; V86-F88 WeakPolarHBondContact O-CB 3.49Å; V86-F88 PolarHBondContact O-N 3.43Å
87D40Very low54.9Low147 Ų147100 Ų10079%0.78657%0.565SS**  trans-2278.8-179.9-91.6-39000114.8V89 G92D87-V89 VanDerWaalsContact C-N 3.33Å; D87-G92 PolarHBondContact O-N 3.39Å
88F53.7Low56.7Low60 Ų6095.9 Ų95.926%0.26353%0.53SS..G310 helixtrans-97.510.9-171.2-155.8-92.7000111.1I61 L63 V86 L90 K91I61-F88 HydrophobicContact CD1-CE2 4.46Å; I61-F88 HydrophobicContact CG2-CD1 4.16Å; I61-F88 HydrophobicContact CG2-CE1 4.18Å; I61-F88 HydrophobicContact CG2-CG 4.32Å; I61-F88 HydrophobicContact CG2-CZ 4.33Å; L63-F88 HydrophobicContact CD1-CE1 4.32Å; L63-F88 HydrophobicContact CD2-CD1 3.19Å; L63-F88 HydrophobicContact CD2-CE1 3.16Å; L63-F88 HydrophobicContact CD2-CG 4.37Å; L63-F88 HydrophobicContact CD2-CZ 4.32Å; L63-F88 HydrophobicContact CG-CE1 4.35Å; V86-F88 VanDerWaalsContact C-N 3.27Å; V86-F88 WeakPolarHBondContact O-CA 3.4Å; V86-F88 WeakPolarHBondContact O-CB 3.49Å; V86-F88 PolarHBondContact O-N 3.43Å; F88-L90 PolarHBondContact O-N 3.22Å; F88-K91 HydrophobicContact CD1-CG 4.12Å; F88-K91 HydrophobicContact CD2-CB 4.13Å; F88-K91 HydrophobicContact CD2-CG 4.47Å; F88-K91 HydrophobicContact CE1-CB 4.1Å; F88-K91 HydrophobicContact CE1-CD 3.86Å; F88-K91 HydrophobicContact CE1-CG 3.4Å; F88-K91 HydrophobicContact CE2-CB 3.66Å; F88-K91 HydrophobicContact CE2-CD 4.1Å; F88-K91 HydrophobicContact CE2-CG 3.82Å; F88-K91 HydrophobicContact CZ-CB 3.68Å; F88-K91 HydrophobicContact CZ-CD 3.36Å; F88-K91 HydrophobicContact CZ-CG 3.26Å; F88-K91 PolarHBondContact O-N 3.47Å; F88-K91 VanDerWaalsContact O-N 3.08Å
89V55.2Low58.5Low133 Ų13399.6 Ų99.681%0.80655%0.552SS**G310 helixtrans-50.5-31.8177.2-176.70000110.1D87D87-V89 VanDerWaalsContact C-N 3.33Å
90L57.4Low60.6Low92 Ų9292.4 Ų92.448%0.48253%0.528SS..G310 helixtrans-135.337.7171.1-66.7166.7000113F88 G92 W93 N95F88-L90 PolarHBondContact O-N 3.22Å; L90-G92 VanDerWaalsContact C-N 3.28Å; L90-G92 PolarHBondContact O-N 3.18Å; L90-W93 WeakPolarHBondContact O-CB 3.46Å; L90-W93 PolarHBondContact O-N 3.47Å; L90-N95 WeakPolarHBondContact CD1-OD1 3.31Å
91K58.3Low62.8Low110 Ų11093.9 Ų93.948%0.47852%0.522SS..THydrogen-bonded Turntrans54.232-176.1-43.7-153.8166.1177.30115.8F88 W93F88-K91 HydrophobicContact CD1-CG 4.12Å; F88-K91 HydrophobicContact CD2-CB 4.13Å; F88-K91 HydrophobicContact CD2-CG 4.47Å; F88-K91 HydrophobicContact CE1-CB 4.1Å; F88-K91 HydrophobicContact CE1-CD 3.86Å; F88-K91 HydrophobicContact CE1-CG 3.4Å; F88-K91 HydrophobicContact CE2-CB 3.66Å; F88-K91 HydrophobicContact CE2-CD 4.1Å; F88-K91 HydrophobicContact CE2-CG 3.82Å; F88-K91 HydrophobicContact CZ-CB 3.68Å; F88-K91 HydrophobicContact CZ-CD 3.36Å; F88-K91 HydrophobicContact CZ-CG 3.26Å; F88-K91 PolarHBondContact O-N 3.47Å; F88-K91 VanDerWaalsContact O-N 3.08Å; K91-W93 PolarHBondContact O-N 3.21Å
92G61.4Low64.6Low61 Ų6195.9 Ų95.963%0.62953%0.53SS*.THydrogen-bonded Turntrans73.98-175.300000115.4D87 L90 K94D87-G92 PolarHBondContact O-N 3.39Å; L90-G92 VanDerWaalsContact C-N 3.28Å; L90-G92 PolarHBondContact O-N 3.18Å; G92-K94 PolarHBondContact O-N 2.74Å
93W68.9Low66.5Low58 Ų5896 Ų9622%0.2252%0.522CS..  trans-73.8123173.8-73.466000110.1M1 L90 K91 N95 S98 L101 L102M1-W93 HydrophobicContact CE-CH2 3.69Å; M1-W93 HydrophobicContact CE-CZ2 3.2Å; M1-W93 HydrophobicContact SD-CH2 4.45Å; M1-W93 HydrophobicContact SD-CZ2 3.46Å; M1-W93 WeakPolarHBondContact SD-CZ2 3.49Å; L90-W93 WeakPolarHBondContact O-CB 3.46Å; L90-W93 PolarHBondContact O-N 3.47Å; K91-W93 PolarHBondContact O-N 3.21Å; W93-N95 PolarHBondContact O-N 2.9Å; W93-N95 PolarHBondContact O-OD1 3.35Å; W93-S98 WeakPolarHBondContact CA-OG 3.16Å; W93-S98 VanDerWaalsContact CB-OG 3.25Å; W93-S98 WeakPolarHBondContact CB-OG 3.14Å; W93-L101 HydrophobicContact CZ3-CB 4.21Å; W93-L102 HydrophobicContact CE3-CD1 4.49Å; W93-L102 HydrophobicContact CE3-CG 4.35Å; W93-L102 HydrophobicContact CH2-CD1 4.36Å; W93-L102 HydrophobicContact CH2-CD2 3.35Å; W93-L102 HydrophobicContact CH2-CG 3.62Å; W93-L102 HydrophobicContact CZ2-CD2 3.91Å; W93-L102 HydrophobicContact CZ2-CG 4.43Å; W93-L102 HydrophobicContact CZ3-CD1 4.2Å; W93-L102 HydrophobicContact CZ3-CD2 3.92Å; W93-L102 HydrophobicContact CZ3-CG 3.61Å
94K71.1Confident68.4Low159 Ų15997 Ų9769%0.69153%0.527SS*.  trans-69.8110.3171.7-65.7179.3-178.3177.30109.3G92 R96 D97 S98G92-K94 PolarHBondContact O-N 2.74Å; K94-R96 VanDerWaalsContact C-N 3.25Å; K94-R96 PolarHBondContact O-N 3.2Å; K94-D97 PolarHBondContact O-N 3.06Å; K94-D97 VanDerWaalsContact O-N 3.14Å; K94-S98 PolarHBondContact N-OG 3.24Å; K94-S98 WeakPolarHBondContact O-CB 3.18Å; K94-S98 PolarHBondContact O-N 3.05Å; K94-S98 PolarHBondContact O-OG 2.8Å
95N71.5Confident70.4Confident113 Ų11398.3 Ų98.360%0.60452%0.524SS*.Hα-helixtrans-40.6-47.6-167.6-61.67.4000114.7L90 W93 L99L90-N95 WeakPolarHBondContact CD1-OD1 3.31Å; W93-N95 PolarHBondContact O-N 2.9Å; W93-N95 PolarHBondContact O-OD1 3.35Å; N95-L99 WeakPolarHBondContact O-CB 3.2Å; N95-L99 PolarHBondContact O-N 2.95Å
96R80Confident72.9Confident226 Ų22697.9 Ų97.985%0.85350%0.501SS*.Hα-helixtrans-68.9-50.7-174.7-172-176.3178.9-167.9-0.9113.3K94K94-R96 VanDerWaalsContact C-N 3.25Å; K94-R96 PolarHBondContact O-N 3.2Å
97D82.1Confident75.2Confident96 Ų9699.7 Ų99.751%0.51350%0.504SS..Hα-helixtrans-74.4-38-174-56.7-31.1000110.6K94 S100K94-D97 PolarHBondContact O-N 3.06Å; K94-D97 VanDerWaalsContact O-N 3.14Å; D97-S100 PolarHBondContact O-OG 3.48Å
98S83.9Confident77.7Confident13 Ų13100.7 Ų100.79%0.09150%0.501CS..Hα-helixtrans-67.4-41.8-174.4-66.80000114.3W93 K94 S100 L101 L102W93-S98 WeakPolarHBondContact CA-OG 3.16Å; W93-S98 VanDerWaalsContact CB-OG 3.25Å; W93-S98 WeakPolarHBondContact CB-OG 3.14Å; K94-S98 PolarHBondContact N-OG 3.24Å; K94-S98 WeakPolarHBondContact O-CB 3.18Å; K94-S98 PolarHBondContact O-N 3.05Å; K94-S98 PolarHBondContact O-OG 2.8Å; S98-S100 VanDerWaalsContact C-N 3.3Å; S98-S100 PolarHBondContact O-N 2.93Å; S98-L101 WeakPolarHBondContact O-CB 3.4Å; S98-L101 PolarHBondContact O-N 3.2Å; S98-L101 VanDerWaalsContact O-N 3.13Å; S98-L102 PolarHBondContact O-N 2.77Å
99L85.9Confident79.2Confident111 Ų111106.4 Ų106.458%0.58153%0.529SS*.Hα-helixtrans-62.7-40-177.6-175.962.2000111.5N95 L101 L102 V103N95-L99 WeakPolarHBondContact O-CB 3.2Å; N95-L99 PolarHBondContact O-N 2.95Å; L99-L101 VanDerWaalsContact C-N 3.25Å; L99-L101 PolarHBondContact O-N 2.76Å; L99-L102 PolarHBondContact O-N 2.72Å; L99-V103 WeakPolarHBondContact O-CG2 3.35Å; L99-V103 PolarHBondContact O-N 3.3Å
100S87Confident80.7Confident59 Ų59103 Ų10341%0.41352%0.515SS..Hα-helixtrans-63.5-32.2177.6770000112.7D97 S98 K104D97-S100 PolarHBondContact O-OG 3.48Å; S98-S100 VanDerWaalsContact C-N 3.3Å; S98-S100 PolarHBondContact O-N 2.93Å; S100-K104 VanDerWaalsContact O-CG 3.28Å; S100-K104 WeakPolarHBondContact O-CG 3.5Å; S100-K104 PolarHBondContact O-N 3.4Å
101L87.6Confident81.9Confident90 Ų90101 Ų10147%0.47150%0.504SS..Hα-helixtrans-73.5-42.9176-66170.9000111.2W93 S98 L99 K104 Q105W93-L101 HydrophobicContact CZ3-CB 4.21Å; S98-L101 WeakPolarHBondContact O-CB 3.4Å; S98-L101 PolarHBondContact O-N 3.2Å; S98-L101 VanDerWaalsContact O-N 3.13Å; L99-L101 VanDerWaalsContact C-N 3.25Å; L99-L101 PolarHBondContact O-N 2.76Å; L101-K104 PolarHBondContact O-N 2.97Å; L101-Q105 WeakPolarHBondContact O-CG 3.2Å; L101-Q105 PolarHBondContact O-N 3.3Å
102L87Confident83.1Confident63 Ų63102 Ų10233%0.3351%0.511SS..Hα-helixtrans-60.7-45.1175.6-73.4168.1000111.7W93 S98 L99 K104 Q105 Y106 L111W93-L102 HydrophobicContact CE3-CD1 4.49Å; W93-L102 HydrophobicContact CE3-CG 4.35Å; W93-L102 HydrophobicContact CH2-CD1 4.36Å; W93-L102 HydrophobicContact CH2-CD2 3.35Å; W93-L102 HydrophobicContact CH2-CG 3.62Å; W93-L102 HydrophobicContact CZ2-CD2 3.91Å; W93-L102 HydrophobicContact CZ2-CG 4.43Å; W93-L102 HydrophobicContact CZ3-CD1 4.2Å; W93-L102 HydrophobicContact CZ3-CD2 3.92Å; W93-L102 HydrophobicContact CZ3-CG 3.61Å; S98-L102 PolarHBondContact O-N 2.77Å; L99-L102 PolarHBondContact O-N 2.72Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 2.88Å; L102-Q105 WeakPolarHBondContact O-CB 3.43Å; L102-Q105 PolarHBondContact O-N 3.39Å; L102-Q105 VanDerWaalsContact O-N 3.14Å; L102-Y106 PolarHBondContact O-N 3.07Å; L102-L111 HydrophobicContact CD2-CD1 3.92Å
103V88.8Confident84.3Confident71 Ų71100.8 Ų100.843%0.4350%0.495SS..Hα-helixtrans-61.6-41.8176.3174.50000110.8L99 Q105 Y106 M107L99-V103 WeakPolarHBondContact O-CG2 3.35Å; L99-V103 PolarHBondContact O-N 3.3Å; V103-Q105 VanDerWaalsContact C-N 3.34Å; V103-Q105 PolarHBondContact O-N 2.79Å; V103-Y106 PolarHBondContact O-N 2.6Å; V103-M107 HydrophobicContact CG1-CG 4.34Å; V103-M107 WeakPolarHBondContact O-CB 3.37Å; V103-M107 WeakPolarHBondContact O-CG 3.09Å; V103-M107 PolarHBondContact O-N 3.37Å
104K90.7Very high85.1Confident130 Ų130102.9 Ų102.957%0.56551%0.51SS*.Hα-helixtrans-64.3-36.3174.6-75.6172.9-177.6176.70112.7S100 L101 L102 K108S100-K104 VanDerWaalsContact O-CG 3.28Å; S100-K104 WeakPolarHBondContact O-CG 3.5Å; S100-K104 PolarHBondContact O-N 3.4Å; L101-K104 PolarHBondContact O-N 2.97Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 2.88Å; K104-K108 WeakPolarHBondContact O-CB 3.46Å; K104-K108 WeakPolarHBondContact O-CG 3.21Å; K104-K108 PolarHBondContact O-N 3.14Å; K104-K108 VanDerWaalsContact O-N 3.08Å
105Q88.1Confident85.8Confident64 Ų6496.3 Ų96.330%0.29949%0.485SS..Hα-helixtrans-68.5-41.5176.2-75.3175.8-28.900111.3L101 L102 V103 K108 E109 A110 L111L101-Q105 WeakPolarHBondContact O-CG 3.2Å; L101-Q105 PolarHBondContact O-N 3.3Å; L102-Q105 WeakPolarHBondContact O-CB 3.43Å; L102-Q105 PolarHBondContact O-N 3.39Å; L102-Q105 VanDerWaalsContact O-N 3.14Å; V103-Q105 VanDerWaalsContact C-N 3.34Å; V103-Q105 PolarHBondContact O-N 2.79Å; Q105-K108 CarbonylContact O-C 3.57Å; Q105-K108 PolarHBondContact O-N 3.18Å; Q105-E109 PolarHBondContact O-N 3.42Å; Q105-A110 HydrophobicContact CB-CB 4.44Å; Q105-A110 WeakPolarHBondContact O-CB 3.45Å; Q105-A110 PolarHBondContact O-N 2.86Å; Q105-L111 HydrophobicContact CB-CD1 3.58Å; Q105-L111 HydrophobicContact CB-CG 3.92Å
106Y89.7Confident86.5Confident93 Ų9397.5 Ų97.537%0.36549%0.486SS..Hα-helixtrans-61.3-47.6173.2176.3-108000111.9L102 V103 K108 E109 A113 D114L102-Y106 PolarHBondContact O-N 3.07Å; V103-Y106 PolarHBondContact O-N 2.6Å; Y106-K108 PolarHBondContact O-N 2.86Å; Y106-E109 WeakPolarHBondContact O-CA 3.37Å; Y106-E109 PolarHBondContact O-N 3.47Å; Y106-A113 HydrophobicContact CD2-CB 3.61Å; Y106-A113 HydrophobicContact CE2-CB 3.52Å; Y106-D114 PolarHBondContact OH-OD1 2.97Å
107M91.6Very high86.9Confident145 Ų14592.9 Ų92.971%0.71447%0.472SS*.Hα-helixtrans-63.8-22.1176.2-69.4-72.3-166.400113.8V103 E109V103-M107 HydrophobicContact CG1-CG 4.34Å; V103-M107 WeakPolarHBondContact O-CB 3.37Å; V103-M107 WeakPolarHBondContact O-CG 3.09Å; V103-M107 PolarHBondContact O-N 3.37Å; M107-E109 VanDerWaalsContact C-N 3.29Å
108K91.8Very high87.1Confident167 Ų16791.9 Ų91.973%0.72647%0.469SS*.THydrogen-bonded Turntrans-89.67.7173.9-75.1177.7177.9-169.60112.7K104 Q105 Y106 A110K104-K108 WeakPolarHBondContact O-CB 3.46Å; K104-K108 WeakPolarHBondContact O-CG 3.21Å; K104-K108 PolarHBondContact O-N 3.14Å; K104-K108 VanDerWaalsContact O-N 3.08Å; Q105-K108 CarbonylContact O-C 3.57Å; Q105-K108 PolarHBondContact O-N 3.18Å; Y106-K108 PolarHBondContact O-N 2.86Å; K108-A110 PolarHBondContact O-N 3.18Å
109E85.7Confident87.3Confident180 Ų18093 Ų9384%0.84148%0.483SS*.THydrogen-bonded Turntrans58.118.3-175.9-57.6176.4177.300113.4Q105 Y106 M107 L111Q105-E109 PolarHBondContact O-N 3.42Å; Y106-E109 WeakPolarHBondContact O-CA 3.37Å; Y106-E109 PolarHBondContact O-N 3.47Å; M107-E109 VanDerWaalsContact C-N 3.29Å; E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.23Å
110A85.3Confident87.6Confident63 Ų6396.4 Ų96.452%0.52150%0.496SS..  trans-81.9-7.5178.400000112.7Q105 K108Q105-A110 HydrophobicContact CB-CB 4.44Å; Q105-A110 WeakPolarHBondContact O-CB 3.45Å; Q105-A110 PolarHBondContact O-N 2.86Å; K108-A110 PolarHBondContact O-N 3.18Å
111L83.2Confident87.9Confident49 Ų4998.8 Ų98.826%0.25750%0.496SS..SBendtrans-128.5117.4176.6-70.2171.1000109L102 Q105 E109 A113L102-L111 HydrophobicContact CD2-CD1 3.92Å; Q105-L111 HydrophobicContact CB-CD1 3.58Å; Q105-L111 HydrophobicContact CB-CG 3.92Å; E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.23Å; L111-A113 PolarHBondContact O-N 3.08Å
112E84Confident88.2Confident131 Ų131100.2 Ų100.261%0.61250%0.501SS*.  trans-77.663.2175.7-61.9-171.315000111.5D114 A115 F116E112-D114 PolarHBondContact O-N 3.22Å; E112-A115 HydrophobicContact CB-CB 4.45Å; E112-A115 PolarHBondContact O-N 2.99Å; E112-F116 WeakPolarHBondContact O-CD2 3.47Å; E112-F116 WeakPolarHBondContact O-CE2 3.35Å
113A86Confident88.6Confident35 Ų35104.4 Ų104.429%0.28952%0.523SS..G310 helixtrans-65.4-30.9179.200000111.8Y106 L111 A115 F116Y106-A113 HydrophobicContact CD2-CB 3.61Å; Y106-A113 HydrophobicContact CE2-CB 3.52Å; L111-A113 PolarHBondContact O-N 3.08Å; A113-A115 PolarHBondContact O-N 2.81Å; A113-F116 PolarHBondContact O-N 3.08Å; A113-F116 VanDerWaalsContact O-N 3.08Å
114D86.8Confident88.9Confident103 Ų103109.8 Ų109.855%0.55154%0.537SS*.G310 helixtrans-63.7-29.4-176.3-70-33.3000113.5Y106 E112 F116 F117Y106-D114 PolarHBondContact OH-OD1 2.97Å; E112-D114 PolarHBondContact O-N 3.22Å; D114-F116 PolarHBondContact O-N 2.92Å; D114-F117 HydrophobicContact CB-CD2 4.41Å; D114-F117 PolarHBondContact O-N 2.65Å; D114-F117 WeakPolarHBondContact OD1-CE2 3.33Å
115A85.6Confident89Confident20 Ų20105.9 Ų105.917%0.16552%0.52CS..G310 helixtrans-64.8-21.4178.600000112.3R26 F30 E112 A113R26-A115 PolarHBondContact NH1-O 3.14Å; R26-A115 PolarHBondContact NH2-O 2.95Å; R26-A115 VanDerWaalsContact NH2-O 3.1Å; F30-A115 HydrophobicContact CE1-CB 4.03Å; F30-A115 HydrophobicContact CZ-CB 3.54Å; E112-A115 HydrophobicContact CB-CB 4.45Å; E112-A115 PolarHBondContact O-N 2.99Å; A113-A115 PolarHBondContact O-N 2.81Å
116F85.9Confident89.3Confident139 Ų139107.7 Ų107.761%0.6153%0.531SS*.G310 helixtrans-86.4-12.4179-61-79.4000113.8F30 E112 A113 D114 T118F30-F116 HydrophobicContact CE1-CE2 4.39Å; F30-F116 HydrophobicContact CE1-CZ 4.06Å; F30-F116 HydrophobicContact CE2-CE1 4.08Å; F30-F116 HydrophobicContact CE2-CZ 4.26Å; F30-F116 AromaticContact CZ-CE1 4Å; F30-F116 HydrophobicContact CZ-CE1 4Å; F30-F116 HydrophobicContact CZ-CE2 4.21Å; F30-F116 AromaticContact CZ-CZ 3.79Å; F30-F116 HydrophobicContact CZ-CZ 3.79Å; E112-F116 WeakPolarHBondContact O-CD2 3.47Å; E112-F116 WeakPolarHBondContact O-CE2 3.35Å; A113-F116 PolarHBondContact O-N 3.08Å; A113-F116 VanDerWaalsContact O-N 3.08Å; D114-F116 PolarHBondContact O-N 2.92Å; F116-T118 PolarHBondContact O-N 3.29Å
117F88.8Confident89.5Confident128 Ų128107.6 Ų107.656%0.56154%0.543SS*.  trans-74.3121.2174.8-61.9-60.7000110.2D114D114-F117 HydrophobicContact CB-CD2 4.41Å; D114-F117 PolarHBondContact O-N 2.65Å; D114-F117 WeakPolarHBondContact OD1-CE2 3.33Å
118T86.7Confident89.5Confident76 Ų76106.1 Ų106.147%0.46653%0.534SS..  trans-114.1-10.2178.662.90000114F22 F116 R136F22-T118 HydrophobicContact CE1-CG2 4.42Å; F22-T118 HydrophobicContact CZ-CG2 4.38Å; F116-T118 PolarHBondContact O-N 3.29Å; T118-R136 PolarHBondContact OG1-NH1 3.04Å
119G87.1Confident89.5Confident36 Ų3699.6 Ų99.637%0.37151%0.511SS..  trans-167153.3177.500000110.6
120Q92.5Very high89.7Confident183 Ų18394 Ų9486%0.85549%0.489SS*.  trans-121127.8172.1-68.8-177.8-6.700107.5
121Y92.8Very high90Very high108 Ų10895.6 Ų95.642%0.42449%0.489SS..  trans-130.4144.9-176.9-60.2-83.8000108.7E125 A129Y121-E125 HydrophobicContact CD1-CB 4.49Å; Y121-A129 HydrophobicContact CD1-CB 4.26Å; Y121-A129 HydrophobicContact CD2-CB 3.6Å; Y121-A129 HydrophobicContact CE2-CB 4.02Å; Y121-A129 HydrophobicContact CG-CB 3.73Å
122Q94.3Very high90.3Very high120 Ų12094.5 Ų94.556%0.56149%0.487SS*.  trans-76.6158170.5-63.5-67.65.400110.5Y124 E125Q122-Y124 HydrophobicContact CB-CD1 3.59Å; Q122-Y124 HydrophobicContact CB-CE1 3.14Å; Q122-Y124 HydrophobicContact CB-CE2 4.36Å; Q122-Y124 HydrophobicContact CB-CG 4.34Å; Q122-Y124 HydrophobicContact CG-CD1 4.5Å; Q122-Y124 HydrophobicContact CG-CE1 3.62Å; Q122-Y124 PolarHBondContact O-N 3.49Å; Q122-Y124 VanDerWaalsContact O-N 3.09Å; Q122-E125 HydrophobicContact CB-CG 4.39Å; Q122-E125 PolarHBondContact N-OE2 2.87Å; Q122-E125 WeakPolarHBondContact O-CB 3.37Å; Q122-E125 PolarHBondContact O-N 3.33Å
123L94.4Very high90.4Very high152 Ų15293.6 Ų93.680%0.79648%0.484SS*.G310 helixtrans-56.9-31.6-176.7-176.661.6000113.1E125L123-E125 PolarHBondContact O-N 2.97Å
124Y95.1Very high90.4Very high184 Ų18495.6 Ų95.672%0.72249%0.487SS*.G310 helixtrans-72.9-13.2177.463.7-97000113.6Q122Q122-Y124 HydrophobicContact CB-CD1 3.59Å; Q122-Y124 HydrophobicContact CB-CE1 3.14Å; Q122-Y124 HydrophobicContact CB-CE2 4.36Å; Q122-Y124 HydrophobicContact CB-CG 4.34Å; Q122-Y124 HydrophobicContact CG-CD1 4.5Å; Q122-Y124 HydrophobicContact CG-CE1 3.62Å; Q122-Y124 PolarHBondContact O-N 3.49Å; Q122-Y124 VanDerWaalsContact O-N 3.09Å
125E93.6Very high90.2Very high48 Ų4897.7 Ų97.722%0.22449%0.494CS..G310 helixtrans-99.213.1-178.7-55.5172.7144.300111.9Y121 Q122 L123 C127 Q128 A129Y121-E125 HydrophobicContact CD1-CB 4.49Å; Q122-E125 HydrophobicContact CB-CG 4.39Å; Q122-E125 PolarHBondContact N-OE2 2.87Å; Q122-E125 WeakPolarHBondContact O-CB 3.37Å; Q122-E125 PolarHBondContact O-N 3.33Å; L123-E125 PolarHBondContact O-N 2.97Å; E125-C127 PolarHBondContact O-N 3.22Å; E125-C127 VanDerWaalsContact O-N 3.11Å; E125-Q128 WeakPolarHBondContact O-CA 3.22Å; E125-Q128 WeakPolarHBondContact O-CB 3.25Å; E125-Q128 PolarHBondContact O-N 3.35Å; E125-A129 PolarHBondContact O-N 3.02Å
126I93.8Very high89.2Confident101 Ų101102.4 Ų102.452%0.51851%0.507SS..Hα-helixtrans-51.7-38.7-175.2-171.1169.5000113.6A129 V130I126-A129 PolarHBondContact O-N 3.22Å; I126-V130 WeakPolarHBondContact O-CG2 2.94Å; I126-V130 PolarHBondContact O-N 2.99Å
127C93.8Very high88.1Confident91 Ų91100 Ų10062%0.61550%0.5SS*.Hα-helixtrans-64.4-42.7177.2-62.80000111.7E125 A129 V130 D131E125-C127 PolarHBondContact O-N 3.22Å; E125-C127 VanDerWaalsContact O-N 3.11Å; C127-A129 VanDerWaalsContact C-N 3.31Å; C127-A129 PolarHBondContact O-N 3.22Å; C127-V130 PolarHBondContact O-N 3.02Å; C127-D131 WeakPolarHBondContact O-CB 3.33Å; C127-D131 VanDerWaalsContact O-CG 3.31Å; C127-D131 PolarHBondContact O-N 3.13Å
128Q92Very high86.1Confident115 Ų115106.5 Ų106.554%0.53752%0.521SS..Hα-helixtrans-64.6-37.6176.6-61.9176.3-7.200111.2E125 D131 A132E125-Q128 WeakPolarHBondContact O-CA 3.22Å; E125-Q128 WeakPolarHBondContact O-CB 3.25Å; E125-Q128 PolarHBondContact O-N 3.35Å; Q128-D131 PolarHBondContact O-N 3.37Å; Q128-A132 VanDerWaalsContact O-CB 3.32Å; Q128-A132 WeakPolarHBondContact O-CB 3.42Å; Q128-A132 PolarHBondContact O-N 2.86Å
129A91.3Very high86Confident29 Ų29108 Ų10824%0.2452%0.524CS..Hα-helixtrans-63.6-40.8175.400000112.1Y121 E125 I126 C127 M133Y121-A129 HydrophobicContact CD1-CB 4.26Å; Y121-A129 HydrophobicContact CD2-CB 3.6Å; Y121-A129 HydrophobicContact CE2-CB 4.02Å; Y121-A129 HydrophobicContact CG-CB 3.73Å; E125-A129 PolarHBondContact O-N 3.02Å; I126-A129 PolarHBondContact O-N 3.22Å; C127-A129 VanDerWaalsContact C-N 3.31Å; C127-A129 PolarHBondContact O-N 3.22Å; A129-M133 PolarHBondContact O-N 3.29Å; A129-M133 VanDerWaalsContact O-N 3.15Å
130V91.8Very high86Confident63 Ų63111.8 Ų111.838%0.38253%0.532SS..Hα-helixtrans-69.1-40.3175.4172.80000111.3I126 C127 M133 H134I126-V130 WeakPolarHBondContact O-CG2 2.94Å; I126-V130 PolarHBondContact O-N 2.99Å; C127-V130 PolarHBondContact O-N 3.02Å; V130-M133 WeakPolarHBondContact O-CB 3.04Å; V130-M133 PolarHBondContact O-N 3.26Å; V130-H134 VanDerWaalsContact CG1-CE1 3.44Å; V130-H134 WeakPolarHBondContact CG1-CE1 3.46Å; V130-H134 PolarHBondContact O-N 3.34Å; V130-H134 PolarHBondContact O-ND1 2.88Å
131D91.8Very high85.6Confident97 Ų97107.8 Ų107.852%0.51951%0.514SS..Hα-helixtrans-63.8-42.3175.8-72.8-29.1000111.5C127 Q128 M133 H134 E135C127-D131 WeakPolarHBondContact O-CB 3.33Å; C127-D131 VanDerWaalsContact O-CG 3.31Å; C127-D131 PolarHBondContact O-N 3.13Å; Q128-D131 PolarHBondContact O-N 3.37Å; D131-M133 VanDerWaalsContact C-N 3.27Å; D131-M133 PolarHBondContact O-N 3.33Å; D131-H134 PolarHBondContact O-N 2.94Å; D131-H134 VanDerWaalsContact O-N 3.11Å; D131-E135 WeakPolarHBondContact O-CB 3.45Å; D131-E135 PolarHBondContact O-N 3.46Å
132A87.9Confident85.2Confident26 Ų26107.8 Ų107.822%0.21552%0.519CS..Hα-helixtrans-61.2-34.8174.400000112.5Q128Q128-A132 VanDerWaalsContact O-CB 3.32Å; Q128-A132 WeakPolarHBondContact O-CB 3.42Å; Q128-A132 PolarHBondContact O-N 2.86Å
133M86.5Confident84.6Confident112 Ų112107.1 Ų107.155%0.55252%0.516SS*.Hα-helixtrans-67.6-41.6173.2-173.3-17271.600111.6A129 V130 D131A129-M133 PolarHBondContact O-N 3.29Å; A129-M133 VanDerWaalsContact O-N 3.15Å; V130-M133 WeakPolarHBondContact O-CB 3.04Å; V130-M133 PolarHBondContact O-N 3.26Å; D131-M133 VanDerWaalsContact C-N 3.27Å; D131-M133 PolarHBondContact O-N 3.33Å
134H85.7Confident84Confident76 Ų76104.1 Ų104.135%0.35250%0.498SS..Hα-helixtrans-74.5-33.8179.5-70.5137.8000113.8V130 D131 R136 I137 R138V130-H134 VanDerWaalsContact CG1-CE1 3.44Å; V130-H134 WeakPolarHBondContact CG1-CE1 3.46Å; V130-H134 PolarHBondContact O-N 3.34Å; V130-H134 PolarHBondContact O-ND1 2.88Å; D131-H134 PolarHBondContact O-N 2.94Å; D131-H134 VanDerWaalsContact O-N 3.11Å; H134-R136 PolarHBondContact O-N 2.93Å; H134-I137 PolarHBondContact O-N 3.14Å; H134-R138 PolarHBondContact O-N 2.97Å
135E82.2Confident83.2Confident148 Ų14898.4 Ų98.469%0.69248%0.482SS*.Hα-helixtrans-58.9-35.9177.8-174.9175.4-162.800110.9D131 I137 R138D131-E135 WeakPolarHBondContact O-CB 3.45Å; D131-E135 PolarHBondContact O-N 3.46Å; E135-I137 PolarHBondContact O-N 2.74Å; E135-R138 PolarHBondContact O-N 3.04Å
136R66.1Low82.4Confident118 Ų118102.2 Ų102.245%0.44550%0.502SS..THydrogen-bonded Turntrans-66.2-23.1174.5-68.6-174.3179.8159.86.1113.5T18 T118 H134T18-R136 WeakPolarHBondContact CG2-O 3.28Å; T118-R136 PolarHBondContact OG1-NH1 3.04Å; H134-R136 PolarHBondContact O-N 2.93Å
137I62Low81.4Confident90 Ų90102.3 Ų102.346%0.46250%0.5SS..THydrogen-bonded Turntrans-92.9-12.6-176.1-60.1171.6000112.3H134 E135H134-I137 PolarHBondContact O-N 3.14Å; E135-I137 PolarHBondContact O-N 2.74Å
138R46.2Very low80.3Confident263 Ų263103.4 Ų103.499%0.99249%0.49SS*.  trans-920-177.9-70.3-176.6-177162.74.5112.5H134 E135H134-R138 PolarHBondContact O-N 2.97Å; E135-R138 PolarHBondContact O-N 3.04Å

Retrieved 138 of 138 residues in 36.1 ms (Link to these results)