A0A023T6R1_HUMAN Loading...

Mago nashi protein

AlphaFold DB , UniProt , Accession A0A023T6R1, Species HUMAN (Homo sapiens, Human), Gene FLJ10292, Length 148 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
1M35.8Very low74.8Confident239 Ų23974.6 Ų74.6100%1.17745%0.446SS*.  0111.80-74.1178.2169.500106.1V3M1-V3 PolarHBondContact O-N 3.26Å
2A40.2Very low76.8Confident102 Ų10271 Ų7184%0.84342%0.419SS*.PPolyproline II helixtrans-64.9121.7175.400000107.2A4A2-A4 PolarHBondContact O-N 3.2Å; A2-A4 VanDerWaalsContact O-N 3.07Å
3V45.4Very low78.4Confident138 Ų13866.9 Ų66.984%0.83640%0.395SS*.PPolyproline II helixtrans-56.1116.2166.6-177.10000104.8M1 S5M1-V3 PolarHBondContact O-N 3.26Å; V3-S5 PolarHBondContact O-N 3.49Å
4A56.1Low79.7Confident81 Ų8162.5 Ų62.567%0.66937%0.371SS*.PPolyproline II helixtrans-57117.5173.500000105.7A2 D6A2-A4 PolarHBondContact O-N 3.2Å; A2-A4 VanDerWaalsContact O-N 3.07Å; A4-D6 PolarHBondContact O-N 3.12Å; A4-D6 VanDerWaalsContact O-N 3.14Å
5S65.8Low80.7Confident67 Ų6761.7 Ų61.747%0.46936%0.362SS..PPolyproline II helixtrans-58.1123.1176.646.40000107.8V3 F7 K63V3-S5 PolarHBondContact O-N 3.49Å; S5-F7 PolarHBondContact O-N 3.4Å; S5-K63 PolarHBondContact OG-NZ 2.97Å
6D87.8Confident81.2Confident108 Ų10868.1 Ų68.158%0.57838%0.384SS*.PPolyproline II helixtrans-59.3124.5178.9-79.1-25000107.8A4 V93 G95A4-D6 PolarHBondContact O-N 3.12Å; A4-D6 VanDerWaalsContact O-N 3.14Å; D6-V93 HydrophobicContact CB-CG1 4.37Å; D6-G95 PolarHBondContact O-N 2.82Å
7F96.6Very high81.3Confident5 Ų566.1 Ų66.12%0.02238%0.382CS..EExtended strand (participates in β ladder)trans-132.3124.2179.2179.8-94.5000109.8S5 L9 F28 P30 M59 L62 K63 I66 V93 I94S5-F7 PolarHBondContact O-N 3.4Å; F7-L9 HydrophobicContact CE1-CB 4.35Å; F7-L9 HydrophobicContact CZ-CB 4.12Å; F7-F28 HydrophobicContact CE1-CB 4.26Å; F7-P30 VanDerWaalsContact O-CA 3.29Å; F7-P30 WeakPolarHBondContact O-CA 3.4Å; F7-P30 VanDerWaalsContact O-CG 3.31Å; F7-P30 WeakPolarHBondContact O-CG 3.32Å; F7-M59 HydrophobicContact CD1-CE 3.39Å; F7-M59 HydrophobicContact CE1-CE 3.71Å; F7-L62 HydrophobicContact CE1-CB 4.39Å; F7-L62 HydrophobicContact CE1-CD1 4.44Å; F7-L62 HydrophobicContact CZ-CB 3.88Å; F7-K63 HydrophobicContact CD2-CD 4.2Å; F7-K63 HydrophobicContact CD2-CG 3.46Å; F7-K63 VanDerWaalsContact CD2-CG 3.46Å; F7-K63 HydrophobicContact CE2-CG 3.56Å; F7-K63 HydrophobicContact CG-CG 4.18Å; F7-K63 HydrophobicContact CZ-CG 4.35Å; F7-I66 HydrophobicContact CE2-CD1 3.67Å; F7-I66 HydrophobicContact CZ-CD1 3.9Å; F7-V93 VanDerWaalsContact CA-O 3.29Å; F7-V93 WeakPolarHBondContact CA-O 3.46Å; F7-I94 HydrophobicContact CD2-CB 4.44Å; F7-I94 HydrophobicContact CD2-CD1 4.46Å; F7-I94 HydrophobicContact CD2-CG1 4.34Å; F7-I94 HydrophobicContact CE2-CD1 4.49Å
8Y98.4Very high81.3Confident43 Ų4373.2 Ų73.217%0.16941%0.407CS..EExtended strand (participates in β ladder)trans-143.6140.3174.7172.3-97.7000109.1R10 E27 E91 I92 V93Y8-R10 HydrophobicContact CE1-CB 3.87Å; Y8-R10 WeakPolarHBondContact OH-CB 3.39Å; Y8-R10 WeakPolarHBondContact OH-CD 3.39Å; Y8-E27 HydrophobicContact CD2-CG 4.48Å; Y8-E27 HydrophobicContact CE2-CG 3.65Å; Y8-E27 WeakPolarHBondContact CE2-OE1 3.41Å; Y8-E27 PolarHBondContact OH-OE1 3.13Å; Y8-E91 HydrophobicContact CD1-CG 4.36Å; Y8-E91 HydrophobicContact CE1-CB 4.28Å; Y8-E91 HydrophobicContact CE1-CG 3.89Å; Y8-I92 CarbonylContact O-C 3.5Å; Y8-I92 WeakPolarHBondContact O-CA 3.35Å; Y8-V93 HydrophobicContact CD1-CG2 4.35Å; Y8-V93 PolarHBondContact N-O 3.27Å; Y8-V93 PolarHBondContact O-N 3.38Å
9L98.8Very high81.2Confident0 Ų077.1 Ų77.10%042%0.42CS..EExtended strand (participates in β ladder)trans-140.2130172.6-178.7149.9000109.1F7 F26 E27 F28 I66 E91 I92 L131F7-L9 HydrophobicContact CE1-CB 4.35Å; F7-L9 HydrophobicContact CZ-CB 4.12Å; L9-F26 HydrophobicContact CD2-CD2 4.07Å; L9-F26 HydrophobicContact CD2-CE2 3.74Å; L9-E27 CarbonylContact O-C 3.59Å; L9-E27 VanDerWaalsContact O-CA 3.28Å; L9-E27 WeakPolarHBondContact O-CA 3.42Å; L9-F28 HydrophobicContact CB-CB 4.44Å; L9-F28 HydrophobicContact CD2-CD2 4.07Å; L9-F28 PolarHBondContact N-O 2.91Å; L9-F28 VanDerWaalsContact N-O 3.09Å; L9-F28 PolarHBondContact O-N 2.99Å; L9-I66 HydrophobicContact CD1-CD1 3.6Å; L9-I66 HydrophobicContact CD1-CG1 4.29Å; L9-E91 CarbonylContact C-O 3.56Å; L9-E91 WeakPolarHBondContact CA-O 3.35Å; L9-I92 HydrophobicContact CD1-CD1 4.27Å; L9-I92 HydrophobicContact CD1-CG1 4.12Å; L9-I92 HydrophobicContact CG-CG1 4.14Å; L9-L131 HydrophobicContact CD1-CD1 3.91Å; L9-L131 HydrophobicContact CD1-CD2 3.77Å; L9-L131 HydrophobicContact CD2-CD1 4.47Å
10R98.9Very high81.5Confident38 Ų3874.9 Ų74.914%0.14342%0.416CS..EExtended strand (participates in β ladder)trans-132.6133.6168.9-174.5-175.766.886.44.6109.9Y8 E25 F26 E27 E89 L90 E91Y8-R10 HydrophobicContact CE1-CB 3.87Å; Y8-R10 WeakPolarHBondContact OH-CB 3.39Å; Y8-R10 WeakPolarHBondContact OH-CD 3.39Å; R10-E25 IonicContact NH1-OE1 3.38Å; R10-E25 PolarHBondContact NH1-OE1 3.12Å; R10-E25 VanDerWaalsContact NH1-OE1 3.11Å; R10-F26 WeakPolarHBondContact CA-O 3.43Å; R10-E27 HydrophobicContact CB-CG 4.47Å; R10-E27 HydrophobicContact CG-CB 4.38Å; R10-E89 IonicContact CZ-OE2 3.37Å; R10-E89 IonicContact NH1-OE2 3.93Å; R10-E89 PolarHBondContact NH1-OE2 2.82Å; R10-E89 IonicContact NH2-OE2 3.47Å; R10-E89 PolarHBondContact NH2-OE2 3.39Å; R10-L90 WeakPolarHBondContact O-CA 2.98Å; R10-E91 HydrophobicContact CB-CB 4.43Å; R10-E91 IonicContact CZ-OE2 3.96Å; R10-E91 PolarHBondContact N-O 3.39Å; R10-E91 IonicContact NE-OE2 3.35Å; R10-E91 PolarHBondContact NE-OE2 2.76Å; R10-E91 IonicContact NH2-OE2 3.57Å; R10-E91 PolarHBondContact O-N 3.1Å
11Y98.9Very high81.9Confident0 Ų074.4 Ų74.40%041%0.411CS..EExtended strand (participates in β ladder)trans-126.9133.5172173.2-99.2000110V13 E25 F26 Q88 E89 L90 V128 K132Y11-V13 HydrophobicContact CE1-CB 3.99Å; Y11-V13 HydrophobicContact CE1-CG1 3.61Å; Y11-V13 WeakPolarHBondContact OH-CB 3.44Å; Y11-E25 VanDerWaalsContact O-CA 3.27Å; Y11-E25 WeakPolarHBondContact O-CA 3.35Å; Y11-F26 HydrophobicContact CD1-CD1 4.1Å; Y11-F26 AromaticContact CD1-CE1 3.39Å; Y11-F26 HydrophobicContact CD1-CE1 3.39Å; Y11-F26 HydrophobicContact CD1-CE2 4.42Å; Y11-F26 AromaticContact CD1-CZ 3.58Å; Y11-F26 HydrophobicContact CD1-CZ 3.58Å; Y11-F26 HydrophobicContact CE1-CE1 4.2Å; Y11-F26 HydrophobicContact CG-CE1 4.09Å; Y11-F26 HydrophobicContact CG-CE2 4.34Å; Y11-F26 AromaticContact CG-CZ 3.81Å; Y11-F26 HydrophobicContact CG-CZ 3.81Å; Y11-F26 PolarHBondContact N-O 2.94Å; Y11-F26 PolarHBondContact O-N 2.85Å; Y11-Q88 PolarHBondContact OH-NE2 3.19Å; Y11-E89 WeakPolarHBondContact CA-O 3.5Å; Y11-E89 WeakPolarHBondContact CD2-O 3.48Å; Y11-L90 HydrophobicContact CD2-CD1 4.29Å; Y11-V128 HydrophobicContact CD2-CG1 4.47Å; Y11-V128 HydrophobicContact CD2-CG2 4Å; Y11-V128 HydrophobicContact CE1-CG1 4.28Å; Y11-V128 HydrophobicContact CE2-CB 4.23Å; Y11-V128 HydrophobicContact CE2-CG1 3.59Å; Y11-V128 HydrophobicContact CE2-CG2 3.55Å; Y11-V128 VanDerWaalsContact CZ-CG1 3.45Å; Y11-V128 WeakPolarHBondContact OH-CG1 3.31Å; Y11-K132 VanDerWaalsContact OH-CE 3.29Å; Y11-K132 WeakPolarHBondContact OH-CE 3.21Å; Y11-K132 PolarHBondContact OH-NZ 2.69Å
12Y98.6Very high84.6Confident31 Ų3164.9 Ų64.912%0.12236%0.363CS..EExtended strand (participates in β ladder)trans-127.8139.5173.5168.3-85.7000109.8H21 F23 L24 E25 R87 Q88 E89Y12-H21 PolarHBondContact OH-NE2 3.04Å; Y12-F23 HydrophobicContact CD2-CB 4.47Å; Y12-F23 HydrophobicContact CD2-CD2 4.33Å; Y12-F23 HydrophobicContact CE2-CB 3.63Å; Y12-F23 AromaticContact CE2-CD2 3.96Å; Y12-F23 HydrophobicContact CE2-CD2 3.96Å; Y12-F23 AromaticContact CE2-CG 3.95Å; Y12-F23 HydrophobicContact CE2-CG 3.95Å; Y12-L24 WeakPolarHBondContact CA-O 3.3Å; Y12-E25 HydrophobicContact CD2-CB 4.15Å; Y12-E25 HydrophobicContact CD2-CG 4.42Å; Y12-R87 HydrophobicContact CE1-CB 4.38Å; Y12-R87 HydrophobicContact CE1-CG 4.46Å; Y12-Q88 CarbonylContact O-C 3.54Å; Y12-Q88 VanDerWaalsContact O-CA 3.27Å; Y12-Q88 WeakPolarHBondContact O-CA 3.32Å; Y12-E89 HydrophobicContact CD1-CG 4.16Å; Y12-E89 PolarHBondContact N-O 2.94Å; Y12-E89 PolarHBondContact O-N 3.05Å
13V98.1Very high87.3Confident18 Ų1861.6 Ų61.611%0.10933%0.33CS..EExtended strand (participates in β ladder)trans-138.1131.8163.356.90000109.4Y11 F23 L24 R87 Q88Y11-V13 HydrophobicContact CE1-CB 3.99Å; Y11-V13 HydrophobicContact CE1-CG1 3.61Å; Y11-V13 WeakPolarHBondContact OH-CB 3.44Å; V13-F23 CarbonylContact O-C 3.59Å; V13-F23 WeakPolarHBondContact O-CA 3.42Å; V13-F23 WeakPolarHBondContact O-CB 3.29Å; V13-L24 HydrophobicContact CG1-CB 3.88Å; V13-L24 HydrophobicContact CG1-CD2 4.31Å; V13-L24 HydrophobicContact CG1-CG 4.45Å; V13-L24 PolarHBondContact N-O 3Å; V13-L24 PolarHBondContact O-N 2.97Å; V13-R87 WeakPolarHBondContact CA-O 3.5Å; V13-Q88 HydrophobicContact CB-CG 4.11Å; V13-Q88 HydrophobicContact CG2-CG 3.78Å
14G96.4Very high89.7Confident5 Ų555.9 Ų55.95%0.05229%0.294CS..EExtended strand (participates in β ladder)trans-164.7166.5177.600000113.6E22 G86 R87G14-E22 CarbonylContact C-O 3.55Å; G14-E22 WeakPolarHBondContact CA-O 3.31Å; G14-G86 CarbonylContact O-C 3.58Å; G14-G86 VanDerWaalsContact O-CA 3.31Å; G14-G86 WeakPolarHBondContact O-CA 3.4Å; G14-R87 PolarHBondContact N-O 2.91Å; G14-R87 PolarHBondContact O-N 2.86Å
15H94.3Very high91.7Very high51 Ų5154.9 Ų54.924%0.23628%0.276CS..EExtended strand (participates in β ladder)trans-150.7157.5177.472.3-63.4000110.6H21 E22 V85H15-H21 PolarHBondContact O-CD2 3.2Å; H15-E22 IonicContact CE1-OE2 2.76Å; H15-E22 PolarHBondContact CE1-OE2 3.23Å; H15-E22 PolarHBondContact N-O 3.05Å; H15-E22 IonicContact NE2-OE2 3.66Å; H15-E22 PolarHBondContact O-N 2.94Å; H15-V85 WeakPolarHBondContact CB-O 3.38Å
16K88.8Confident93.3Very high164 Ų16451.8 Ų51.871%0.71325%0.254SS*.EExtended strand (participates in β ladder)trans-106.897.1174-71.5-176.9179178.30108.7H21K16-H21 HydrophobicContact CG-CB 4.11Å
17G83.9Confident93.8Very high34 Ų3448 Ų4835%0.35123%0.233SC..EExtended strand (participates in β ladder)trans-95-173.117900000113F19 G20G17-F19 PolarHBondContact O-N 3.07Å; G17-F19 VanDerWaalsContact O-N 3.16Å; G17-G20 PolarHBondContact N-O 3.48Å; G17-G20 PolarHBondContact O-N 3.14Å; G17-G20 VanDerWaalsContact O-N 3.11Å
18K81.8Confident93.9Very high193 Ų19347.7 Ų47.784%0.83923%0.232SC*.THydrogen-bonded Turntrans-56.8-29175.9-176178.6178.3-178.70113
19F78.8Confident93.9Very high147 Ų14750.8 Ų50.865%0.64524%0.243SC*.THydrogen-bonded Turntrans-97.213.6-176.6-55.2-70.6000112.9G17 N41G17-F19 PolarHBondContact O-N 3.07Å; G17-F19 VanDerWaalsContact O-N 3.16Å; F19-N41 HydrophobicContact CB-CB 4.14Å; F19-N41 WeakPolarHBondContact O-CB 2.97Å; F19-N41 PolarHBondContact O-ND2 2.93Å
20G86.4Confident93.8Very high34 Ų3454.9 Ų54.935%0.35127%0.269SS..EExtended strand (participates in β ladder)trans101.2-156.6-179.600000113G17G17-G20 PolarHBondContact N-O 3.48Å; G17-G20 PolarHBondContact O-N 3.14Å; G17-G20 VanDerWaalsContact O-N 3.11Å
21H90.7Very high93.7Very high65 Ų6556.8 Ų56.830%0.30128%0.283SS..EExtended strand (participates in β ladder)trans-92.8113.5-176.2-176.2-166.1000110.6Y12 H15 K16 F23 N39Y12-H21 PolarHBondContact OH-NE2 3.04Å; H15-H21 PolarHBondContact O-CD2 3.2Å; K16-H21 HydrophobicContact CG-CB 4.11Å; H21-F23 AromaticContact CE1-CD1 3.87Å; H21-F23 AromaticContact NE2-CD1 3.85Å; H21-N39 PolarHBondContact O-ND2 3.14Å
22E92.9Very high93.6Very high38 Ų3857 Ų5718%0.17829%0.285CS..EExtended strand (participates in β ladder)trans-107.7133.5173.6-62.9-173.6105.600109.7G14 H15 N39 N41G14-E22 CarbonylContact C-O 3.55Å; G14-E22 WeakPolarHBondContact CA-O 3.31Å; H15-E22 IonicContact CE1-OE2 2.76Å; H15-E22 PolarHBondContact CE1-OE2 3.23Å; H15-E22 PolarHBondContact N-O 3.05Å; H15-E22 IonicContact NE2-OE2 3.66Å; H15-E22 PolarHBondContact O-N 2.94Å; E22-N39 CarbonylContact C-O 3.57Å; E22-N39 WeakPolarHBondContact CA-O 3.28Å; E22-N41 HydrophobicContact CG-CB 4.16Å; E22-N41 PolarHBondContact OE1-N 3.16Å
23F95.3Very high93.6Very high34 Ų3457.3 Ų57.315%0.14929%0.287CS..EExtended strand (participates in β ladder)trans-155.6159-17973.1-87.6000113.2Y12 V13 H21 E25 A37 N38 N39 M47Y12-F23 HydrophobicContact CD2-CB 4.47Å; Y12-F23 HydrophobicContact CD2-CD2 4.33Å; Y12-F23 HydrophobicContact CE2-CB 3.63Å; Y12-F23 AromaticContact CE2-CD2 3.96Å; Y12-F23 HydrophobicContact CE2-CD2 3.96Å; Y12-F23 AromaticContact CE2-CG 3.95Å; Y12-F23 HydrophobicContact CE2-CG 3.95Å; V13-F23 CarbonylContact O-C 3.59Å; V13-F23 WeakPolarHBondContact O-CA 3.42Å; V13-F23 WeakPolarHBondContact O-CB 3.29Å; H21-F23 AromaticContact CE1-CD1 3.87Å; H21-F23 AromaticContact NE2-CD1 3.85Å; F23-E25 HydrophobicContact CD2-CB 4.18Å; F23-E25 HydrophobicContact CE2-CB 4.29Å; F23-A37 HydrophobicContact CE2-CB 3.99Å; F23-N38 WeakPolarHBondContact O-CA 3.31Å; F23-N38 PolarHBondContact O-OD1 2.84Å; F23-N39 HydrophobicContact CD1-CB 3.72Å; F23-N39 HydrophobicContact CE1-CB 3.51Å; F23-N39 HydrophobicContact CG-CB 4.47Å; F23-N39 HydrophobicContact CZ-CB 4.14Å; F23-N39 PolarHBondContact N-O 3.35Å; F23-N39 PolarHBondContact O-N 2.87Å; F23-M47 HydrophobicContact CE1-CE 4.24Å; F23-M47 HydrophobicContact CE2-CE 4.08Å; F23-M47 HydrophobicContact CZ-CE 3.41Å; F23-M47 VanDerWaalsContact CZ-CE 3.41Å
24L96.9Very high93.6Very high17 Ų1756.6 Ų56.69%0.08928%0.282CS..EExtended strand (participates in β ladder)trans-126.8129.4168167.468.9000107.3Y12 V13 Y36 A37 N38 F136Y12-L24 WeakPolarHBondContact CA-O 3.3Å; V13-L24 HydrophobicContact CG1-CB 3.88Å; V13-L24 HydrophobicContact CG1-CD2 4.31Å; V13-L24 HydrophobicContact CG1-CG 4.45Å; V13-L24 PolarHBondContact N-O 3Å; V13-L24 PolarHBondContact O-N 2.97Å; L24-Y36 HydrophobicContact CD1-CD2 4.24Å; L24-Y36 HydrophobicContact CD1-CE2 3.41Å; L24-Y36 VanDerWaalsContact CD1-CE2 3.41Å; L24-A37 CarbonylContact C-O 3.49Å; L24-A37 WeakPolarHBondContact CA-O 3.29Å; L24-N38 HydrophobicContact CD1-CB 4.09Å; L24-F136 HydrophobicContact CD1-CE1 4.18Å; L24-F136 HydrophobicContact CD2-CE1 3.85Å; L24-F136 HydrophobicContact CD2-CZ 3.71Å
25E98.6Very high93.7Very high61 Ų6161.1 Ų61.129%0.28530%0.298SS..EExtended strand (participates in β ladder)trans-136.4138.6175-173.3170.2-132.900110.2R10 Y11 Y12 F23 A37R10-E25 IonicContact NH1-OE1 3.38Å; R10-E25 PolarHBondContact NH1-OE1 3.12Å; R10-E25 VanDerWaalsContact NH1-OE1 3.11Å; Y11-E25 VanDerWaalsContact O-CA 3.27Å; Y11-E25 WeakPolarHBondContact O-CA 3.35Å; Y12-E25 HydrophobicContact CD2-CB 4.15Å; Y12-E25 HydrophobicContact CD2-CG 4.42Å; F23-E25 HydrophobicContact CD2-CB 4.18Å; F23-E25 HydrophobicContact CE2-CB 4.29Å; E25-A37 PolarHBondContact N-O 3.4Å; E25-A37 PolarHBondContact O-N 3.27Å
26F98.8Very high93.9Very high1 Ų159 Ų590%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-140.3150.3166.756.2-100.7000111.6L9 R10 Y11 F28 L34 R35 Y36 L131 K132 V135L9-F26 HydrophobicContact CD2-CD2 4.07Å; L9-F26 HydrophobicContact CD2-CE2 3.74Å; R10-F26 WeakPolarHBondContact CA-O 3.43Å; Y11-F26 HydrophobicContact CD1-CD1 4.1Å; Y11-F26 AromaticContact CD1-CE1 3.39Å; Y11-F26 HydrophobicContact CD1-CE1 3.39Å; Y11-F26 HydrophobicContact CD1-CE2 4.42Å; Y11-F26 AromaticContact CD1-CZ 3.58Å; Y11-F26 HydrophobicContact CD1-CZ 3.58Å; Y11-F26 HydrophobicContact CE1-CE1 4.2Å; Y11-F26 HydrophobicContact CG-CE1 4.09Å; Y11-F26 HydrophobicContact CG-CE2 4.34Å; Y11-F26 AromaticContact CG-CZ 3.81Å; Y11-F26 HydrophobicContact CG-CZ 3.81Å; Y11-F26 PolarHBondContact N-O 2.94Å; Y11-F26 PolarHBondContact O-N 2.85Å; F26-F28 HydrophobicContact CD2-CE2 4.25Å; F26-L34 HydrophobicContact CB-CD1 4.38Å; F26-R35 CarbonylContact C-O 3.47Å; F26-R35 WeakPolarHBondContact CA-O 3.1Å; F26-Y36 HydrophobicContact CB-CD2 4.34Å; F26-L131 HydrophobicContact CE2-CB 4.22Å; F26-L131 HydrophobicContact CZ-CB 3.93Å; F26-K132 HydrophobicContact CE1-CG 4.08Å; F26-V135 HydrophobicContact CB-CG1 4.1Å; F26-V135 HydrophobicContact CD1-CB 4.34Å; F26-V135 HydrophobicContact CD1-CG1 3.98Å; F26-V135 HydrophobicContact CD1-CG2 4.19Å; F26-V135 HydrophobicContact CD2-CG2 3.74Å; F26-V135 HydrophobicContact CE1-CG2 4.31Å; F26-V135 HydrophobicContact CE2-CG2 3.87Å; F26-V135 HydrophobicContact CG-CB 4.44Å; F26-V135 HydrophobicContact CG-CG1 4.03Å; F26-V135 HydrophobicContact CG-CG2 3.89Å; F26-V135 HydrophobicContact CZ-CG2 4.16Å
27E98.8Very high94.3Very high28 Ų2851.6 Ų51.613%0.13126%0.258CS..EExtended strand (participates in β ladder)trans-139.2131.3-175.2-179.2-170.2-119.800109.4Y8 L9 R10 R29 L34 R35Y8-E27 HydrophobicContact CD2-CG 4.48Å; Y8-E27 HydrophobicContact CE2-CG 3.65Å; Y8-E27 WeakPolarHBondContact CE2-OE1 3.41Å; Y8-E27 PolarHBondContact OH-OE1 3.13Å; L9-E27 CarbonylContact O-C 3.59Å; L9-E27 VanDerWaalsContact O-CA 3.28Å; L9-E27 WeakPolarHBondContact O-CA 3.42Å; R10-E27 HydrophobicContact CB-CG 4.47Å; R10-E27 HydrophobicContact CG-CB 4.38Å; E27-R29 HydrophobicContact CG-CG 4.1Å; E27-L34 CarbonylContact O-C 3.49Å; E27-L34 WeakPolarHBondContact O-CA 3.42Å; E27-R35 HydrophobicContact CB-CB 4.37Å; E27-R35 PolarHBondContact N-O 2.65Å; E27-R35 PolarHBondContact O-N 2.96Å; E27-R35 IonicContact OE1-NH1 3.13Å; E27-R35 VanDerWaalsContact OE2-CD 3.28Å; E27-R35 WeakPolarHBondContact OE2-CD 3.38Å; E27-R35 IonicContact OE2-CZ 2.94Å; E27-R35 IonicContact OE2-NE 2.99Å; E27-R35 IonicContact OE2-NH1 2.73Å; E27-R35 PolarHBondContact OE2-NH1 3.18Å
28F98.7Very high94.8Very high0 Ų050.8 Ų50.80%025%0.245CC..EExtended strand (participates in β ladder)trans-109.1117.5166.6-69.8-92.6000108.7F7 L9 F26 K33 L34 V54 M59 L62 V135 L138F7-F28 HydrophobicContact CE1-CB 4.26Å; L9-F28 HydrophobicContact CB-CB 4.44Å; L9-F28 HydrophobicContact CD2-CD2 4.07Å; L9-F28 PolarHBondContact N-O 2.91Å; L9-F28 VanDerWaalsContact N-O 3.09Å; L9-F28 PolarHBondContact O-N 2.99Å; F26-F28 HydrophobicContact CD2-CE2 4.25Å; F28-K33 WeakPolarHBondContact CA-O 3.32Å; F28-L34 HydrophobicContact CD1-CB 4.1Å; F28-L34 HydrophobicContact CD1-CD1 4.19Å; F28-L34 HydrophobicContact CD2-CD1 4.15Å; F28-L34 HydrophobicContact CE1-CB 3.88Å; F28-L34 HydrophobicContact CE1-CD1 3.78Å; F28-L34 HydrophobicContact CE1-CD2 4.05Å; F28-L34 HydrophobicContact CE1-CG 4.1Å; F28-L34 HydrophobicContact CE2-CD1 3.75Å; F28-L34 HydrophobicContact CG-CD1 4.37Å; F28-L34 HydrophobicContact CZ-CD1 3.56Å; F28-L34 HydrophobicContact CZ-CD2 4.04Å; F28-L34 HydrophobicContact CZ-CG 4.23Å; F28-V54 HydrophobicContact CD1-CG2 4.32Å; F28-V54 HydrophobicContact CE1-CG1 4.38Å; F28-V54 HydrophobicContact CE1-CG2 4.29Å; F28-M59 HydrophobicContact CB-CE 4.33Å; F28-M59 HydrophobicContact CD1-SD 3.96Å; F28-L62 HydrophobicContact CB-CD1 4.44Å; F28-L62 HydrophobicContact CD1-CD1 3.52Å; F28-L62 HydrophobicContact CD2-CD1 3.85Å; F28-L62 HydrophobicContact CE1-CD1 3.51Å; F28-L62 HydrophobicContact CE2-CD1 3.84Å; F28-L62 HydrophobicContact CE2-CD2 4.28Å; F28-L62 HydrophobicContact CG-CD1 3.68Å; F28-L62 HydrophobicContact CZ-CD1 3.66Å; F28-V135 HydrophobicContact CE2-CG2 3.61Å; F28-V135 HydrophobicContact CZ-CG2 3.83Å; F28-L138 HydrophobicContact CE1-CD1 4.39Å; F28-L138 HydrophobicContact CZ-CD1 4.21Å
29R98.1Very high95.3Very high108 Ų10843 Ų4341%0.40821%0.212SC..  trans-90.4161178.6-64.2-17571.8-162.92.5111.5E27 D31 G32 K33 M59E27-R29 HydrophobicContact CG-CG 4.1Å; R29-D31 WeakPolarHBondContact CB-OD1 3.43Å; R29-D31 PolarHBondContact O-N 2.88Å; R29-D31 VanDerWaalsContact O-N 3.08Å; R29-G32 PolarHBondContact O-N 3.06Å; R29-K33 HydrophobicContact CB-CB 4.26Å; R29-K33 PolarHBondContact N-O 2.82Å; R29-M59 VanDerWaalsContact O-CE 3.31Å; R29-M59 WeakPolarHBondContact O-CE 3.41Å
30P96.3Very high95.6Very high85 Ų8537 Ų3755%0.55219%0.189SC*.THydrogen-bonded Turntrans-57.9-26180-24.431.4000114.6F7 G32F7-P30 VanDerWaalsContact O-CA 3.29Å; F7-P30 WeakPolarHBondContact O-CA 3.4Å; F7-P30 VanDerWaalsContact O-CG 3.31Å; F7-P30 WeakPolarHBondContact O-CG 3.32Å; P30-G32 PolarHBondContact O-N 3Å
31D95.9Very high95Very high79 Ų7937.7 Ų37.742%0.42219%0.185SC..THydrogen-bonded Turntrans-804.8177.369.5-21.2000113.7R29 K33 Y53R29-D31 WeakPolarHBondContact CB-OD1 3.43Å; R29-D31 PolarHBondContact O-N 2.88Å; R29-D31 VanDerWaalsContact O-N 3.08Å; D31-K33 VanDerWaalsContact C-N 3.3Å; D31-K33 WeakPolarHBondContact OD1-CB 3.36Å; D31-K33 PolarHBondContact OD1-N 3.15Å; D31-K33 VanDerWaalsContact OD1-N 3.16Å; D31-Y53 HydrophobicContact CB-CE1 4.41Å; D31-Y53 WeakPolarHBondContact OD2-CE1 3.43Å; D31-Y53 PolarHBondContact OD2-OH 3.1Å; D31-Y53 VanDerWaalsContact OD2-OH 3.14Å
32G97.2Very high93.6Very high5 Ų542.2 Ų42.25%0.05220%0.2CC..SBendtrans79.710.2-17700000113.7R29 P30 L34 Y53 V54R29-G32 PolarHBondContact O-N 3.06Å; P30-G32 PolarHBondContact O-N 3Å; G32-L34 PolarHBondContact O-N 3.25Å; G32-Y53 WeakPolarHBondContact O-CA 3.34Å; G32-V54 WeakPolarHBondContact O-CG2 3.3Å; G32-V54 PolarHBondContact O-N 3.18Å
33K98.4Very high92.3Very high36 Ų3648.3 Ų48.316%0.15723%0.226CC..EExtended strand (participates in β ladder)trans-75.8115.8175.6-167.6177.1-177.3177.50110.5F28 R29 D31 R35 E51 Y53F28-K33 WeakPolarHBondContact CA-O 3.32Å; R29-K33 HydrophobicContact CB-CB 4.26Å; R29-K33 PolarHBondContact N-O 2.82Å; D31-K33 VanDerWaalsContact C-N 3.3Å; D31-K33 WeakPolarHBondContact OD1-CB 3.36Å; D31-K33 PolarHBondContact OD1-N 3.15Å; D31-K33 VanDerWaalsContact OD1-N 3.16Å; K33-R35 HydrophobicContact CD-CG 4.29Å; K33-R35 HydrophobicContact CG-CG 4.18Å; K33-E51 VanDerWaalsContact CE-CD 3.49Å; K33-E51 WeakPolarHBondContact CE-OE2 3.41Å; K33-E51 IonicContact NZ-OE1 2.69Å; K33-E51 IonicContact NZ-OE2 2.65Å; K33-E51 PolarHBondContact NZ-OE2 2.92Å; K33-Y53 HydrophobicContact CB-CD1 4.17Å; K33-Y53 HydrophobicContact CB-CE1 3.76Å; K33-Y53 HydrophobicContact CD-CE2 4.38Å; K33-Y53 HydrophobicContact CG-CE1 4.31Å; K33-Y53 HydrophobicContact CG-CE2 4.3Å
34L98.8Very high90.9Very high3 Ų354 Ų542%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-86.8123.3165.7170.656.1000109.2F26 E27 F28 G32 E51 A52 V54 L138 I139F26-L34 HydrophobicContact CB-CD1 4.38Å; E27-L34 CarbonylContact O-C 3.49Å; E27-L34 WeakPolarHBondContact O-CA 3.42Å; F28-L34 HydrophobicContact CD1-CB 4.1Å; F28-L34 HydrophobicContact CD1-CD1 4.19Å; F28-L34 HydrophobicContact CD2-CD1 4.15Å; F28-L34 HydrophobicContact CE1-CB 3.88Å; F28-L34 HydrophobicContact CE1-CD1 3.78Å; F28-L34 HydrophobicContact CE1-CD2 4.05Å; F28-L34 HydrophobicContact CE1-CG 4.1Å; F28-L34 HydrophobicContact CE2-CD1 3.75Å; F28-L34 HydrophobicContact CG-CD1 4.37Å; F28-L34 HydrophobicContact CZ-CD1 3.56Å; F28-L34 HydrophobicContact CZ-CD2 4.04Å; F28-L34 HydrophobicContact CZ-CG 4.23Å; G32-L34 PolarHBondContact O-N 3.25Å; L34-E51 CarbonylContact O-C 3.57Å; L34-E51 VanDerWaalsContact O-CA 3.26Å; L34-E51 WeakPolarHBondContact O-CA 3.5Å; L34-A52 PolarHBondContact N-O 3.46Å; L34-A52 PolarHBondContact O-N 3.06Å; L34-V54 HydrophobicContact CB-CG1 4.15Å; L34-V54 HydrophobicContact CD2-CG1 4.4Å; L34-L138 HydrophobicContact CD2-CB 4.22Å; L34-L138 HydrophobicContact CD2-CD1 4.11Å; L34-I139 HydrophobicContact CD2-CD1 3.96Å; L34-I139 HydrophobicContact CD2-CG1 4.4Å; L34-I139 HydrophobicContact CG-CD1 4.42Å
35R98.7Very high89.5Confident100 Ų10057.7 Ų57.738%0.37728%0.278SS..EExtended strand (participates in β ladder)trans-114.9134.7170.3-61.7174.261.5-139.81.6108.7F26 E27 K33 E51F26-R35 CarbonylContact C-O 3.47Å; F26-R35 WeakPolarHBondContact CA-O 3.1Å; E27-R35 HydrophobicContact CB-CB 4.37Å; E27-R35 PolarHBondContact N-O 2.65Å; E27-R35 PolarHBondContact O-N 2.96Å; E27-R35 IonicContact OE1-NH1 3.13Å; E27-R35 VanDerWaalsContact OE2-CD 3.28Å; E27-R35 WeakPolarHBondContact OE2-CD 3.38Å; E27-R35 IonicContact OE2-CZ 2.94Å; E27-R35 IonicContact OE2-NE 2.99Å; E27-R35 IonicContact OE2-NH1 2.73Å; E27-R35 PolarHBondContact OE2-NH1 3.18Å; K33-R35 HydrophobicContact CD-CG 4.29Å; K33-R35 HydrophobicContact CG-CG 4.18Å; R35-E51 HydrophobicContact CB-CG 4.42Å; R35-E51 WeakPolarHBondContact CD-OE1 3.28Å; R35-E51 HydrophobicContact CG-CG 3.95Å; R35-E51 WeakPolarHBondContact CG-OE1 3.41Å; R35-E51 IonicContact CZ-OE1 3.73Å; R35-E51 IonicContact NE-OE1 3.68Å; R35-E51 PolarHBondContact NE-OE1 3.11Å
36Y98.6Very high88.5Confident6 Ų660.4 Ų60.42%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-135132.5-175.8172.4-84.1000109.7L24 F26 N38 I48 R49 K50 V135 F136 I139 P147L24-Y36 HydrophobicContact CD1-CD2 4.24Å; L24-Y36 HydrophobicContact CD1-CE2 3.41Å; L24-Y36 VanDerWaalsContact CD1-CE2 3.41Å; F26-Y36 HydrophobicContact CB-CD2 4.34Å; Y36-N38 HydrophobicContact CE1-CB 3.71Å; Y36-N38 WeakPolarHBondContact OH-CB 3.45Å; Y36-N38 PolarHBondContact OH-ND2 2.84Å; Y36-I48 HydrophobicContact CD1-CG2 4.18Å; Y36-I48 HydrophobicContact CE1-CB 4.36Å; Y36-I48 HydrophobicContact CE1-CG2 3.82Å; Y36-R49 WeakPolarHBondContact O-CA 3.18Å; Y36-K50 HydrophobicContact CD1-CB 4.41Å; Y36-K50 PolarHBondContact N-O 3Å; Y36-K50 PolarHBondContact O-N 2.84Å; Y36-V135 HydrophobicContact CD2-CG1 3.68Å; Y36-V135 HydrophobicContact CE2-CG1 4.14Å; Y36-F136 HydrophobicContact CE2-CD1 4.3Å; Y36-F136 HydrophobicContact CE2-CE1 4.16Å; Y36-I139 HydrophobicContact CD1-CG1 4.46Å; Y36-I139 HydrophobicContact CD1-CG2 4.32Å; Y36-I139 HydrophobicContact CD2-CG1 3.91Å; Y36-I139 HydrophobicContact CE1-CG2 4.43Å; Y36-I139 HydrophobicContact CG-CD1 4.05Å; Y36-I139 HydrophobicContact CG-CG1 3.88Å; Y36-P147 PolarHBondContact OH-O 3.21Å
37A97.3Very high88Confident10 Ų1062.8 Ų62.88%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-135.7129.1175.700000110.1F23 L24 E25 M47 I48F23-A37 HydrophobicContact CE2-CB 3.99Å; L24-A37 CarbonylContact C-O 3.49Å; L24-A37 WeakPolarHBondContact CA-O 3.29Å; E25-A37 PolarHBondContact N-O 3.4Å; E25-A37 PolarHBondContact O-N 3.27Å; A37-M47 HydrophobicContact CB-CE 3.77Å; A37-I48 CarbonylContact C-O 3.52Å; A37-I48 VanDerWaalsContact CA-O 3.28Å; A37-I48 WeakPolarHBondContact CA-O 3.19Å
38N95.1Very high87.7Confident17 Ų1763.1 Ų63.19%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-134.6123.5171.9-177.2-8.5000108.9F23 L24 Y36 I48 P147F23-N38 WeakPolarHBondContact O-CA 3.31Å; F23-N38 PolarHBondContact O-OD1 2.84Å; L24-N38 HydrophobicContact CD1-CB 4.09Å; Y36-N38 HydrophobicContact CE1-CB 3.71Å; Y36-N38 WeakPolarHBondContact OH-CB 3.45Å; Y36-N38 PolarHBondContact OH-ND2 2.84Å; N38-I48 HydrophobicContact CB-CB 4.46Å; N38-I48 PolarHBondContact N-O 2.96Å; N38-I48 PolarHBondContact O-N 2.76Å; N38-P147 PolarHBondContact ND2-O 3.34Å; N38-P147 VanDerWaalsContact ND2-O 3.14Å
39N92Very high87.6Confident28 Ų2871.3 Ų71.315%0.1534%0.344CS..EExtended strand (participates in β ladder)trans-119.6106.5175-167.751.4000108.9H21 E22 F23 M47H21-N39 PolarHBondContact O-ND2 3.14Å; E22-N39 CarbonylContact C-O 3.57Å; E22-N39 WeakPolarHBondContact CA-O 3.28Å; F23-N39 HydrophobicContact CD1-CB 3.72Å; F23-N39 HydrophobicContact CE1-CB 3.51Å; F23-N39 HydrophobicContact CG-CB 4.47Å; F23-N39 HydrophobicContact CZ-CB 4.14Å; F23-N39 PolarHBondContact N-O 3.35Å; F23-N39 PolarHBondContact O-N 2.87Å; N39-M47 HydrophobicContact CB-CG 4.07Å
40S83.3Confident87.6Confident23 Ų2369.3 Ų69.316%0.16134%0.338CS..  trans-112131.3170.458.80000108.5Y42S40-Y42 VanDerWaalsContact C-N 3.32Å
41N74.6Confident87.7Confident48 Ų4870 Ų7026%0.25733%0.334SS..  trans-97.15.4176.5-67.1-23.3000111.1F19 E22 K43F19-N41 HydrophobicContact CB-CB 4.14Å; F19-N41 WeakPolarHBondContact O-CB 2.97Å; F19-N41 PolarHBondContact O-ND2 2.93Å; E22-N41 HydrophobicContact CG-CB 4.16Å; E22-N41 PolarHBondContact OE1-N 3.16Å; N41-K43 PolarHBondContact O-N 3.33Å
42Y62Low87.8Confident159 Ų15966.9 Ų66.962%0.62432%0.319SS*.G310 helixtrans-63118.1171.5-171.2-105.2000109.9S40 N44 D45S40-Y42 VanDerWaalsContact C-N 3.32Å; Y42-N44 VanDerWaalsContact C-N 3.32Å; Y42-N44 PolarHBondContact O-N 3.08Å; Y42-D45 PolarHBondContact O-N 2.95Å
43K65.1Low87.8Confident166 Ų16673.8 Ų73.872%0.72235%0.345SS*.G310 helixtrans61.427.2178.5-60.5179.6174.4176.60116.1N41 D45N41-K43 PolarHBondContact O-N 3.33Å; K43-D45 VanDerWaalsContact C-N 3.33Å
44N65.7Low87.8Confident155 Ų15573.4 Ų73.483%0.82935%0.345SS*.G310 helixtrans61.337.2-178.6-52.1-44000113.3Y42Y42-N44 VanDerWaalsContact C-N 3.32Å; Y42-N44 PolarHBondContact O-N 3.08Å
45D67.6Low87.8Confident94 Ų9479.7 Ų79.750%0.50337%0.374SS..PPolyproline II helixtrans-65.3153.2177.1-131.1-27000111.8Y42 K43Y42-D45 PolarHBondContact O-N 2.95Å; K43-D45 VanDerWaalsContact C-N 3.33Å
46V77.9Confident87.7Confident118 Ų11881.7 Ų81.772%0.71539%0.386SS*.PPolyproline II helixtrans-88.8133.1-179.5-1780000108.9I48V46-I48 PolarHBondContact O-N 3.29Å; V46-I48 VanDerWaalsContact O-N 3.16Å
47M88.5Confident87.7Confident51 Ų5184.8 Ų84.825%0.25141%0.408SS..PPolyproline II helixtrans-49.6122.6175.2-173.8-178.1-178.400111.8F23 A37 N39 R49F23-M47 HydrophobicContact CE1-CE 4.24Å; F23-M47 HydrophobicContact CE2-CE 4.08Å; F23-M47 HydrophobicContact CZ-CE 3.41Å; F23-M47 VanDerWaalsContact CZ-CE 3.41Å; A37-M47 HydrophobicContact CB-CE 3.77Å; N39-M47 HydrophobicContact CB-CG 4.07Å; M47-R49 HydrophobicContact CE-CG 3.82Å; M47-R49 VanDerWaalsContact CE-NE 3.25Å; M47-R49 HydrophobicContact CG-CG 4.29Å; M47-R49 HydrophobicContact SD-CG 4.21Å; M47-R49 VanDerWaalsContact SD-CZ 3.55Å; M47-R49 PolarHBondContact SD-NE 3.09Å; M47-R49 PolarHBondContact SD-NH2 2.78Å
48I92.1Very high87.8Confident35 Ų3585.7 Ų85.718%0.17941%0.412CS..EExtended strand (participates in β ladder)trans-86.6123.7176.1-60.6168.2000108.1Y36 A37 N38 V46 K50 I145Y36-I48 HydrophobicContact CD1-CG2 4.18Å; Y36-I48 HydrophobicContact CE1-CB 4.36Å; Y36-I48 HydrophobicContact CE1-CG2 3.82Å; A37-I48 CarbonylContact C-O 3.52Å; A37-I48 VanDerWaalsContact CA-O 3.28Å; A37-I48 WeakPolarHBondContact CA-O 3.19Å; N38-I48 HydrophobicContact CB-CB 4.46Å; N38-I48 PolarHBondContact N-O 2.96Å; N38-I48 PolarHBondContact O-N 2.76Å; V46-I48 PolarHBondContact O-N 3.29Å; V46-I48 VanDerWaalsContact O-N 3.16Å; I48-K50 HydrophobicContact CG2-CG 3.98Å; I48-I145 HydrophobicContact CG2-CD1 3.84Å
49R96.2Very high87.9Confident171 Ų17185.5 Ų85.565%0.64541%0.411SS*.EExtended strand (participates in β ladder)trans-127.9125.7169.6-67.5179.7-179.6-101.93.1109.3Y36 M47Y36-R49 WeakPolarHBondContact O-CA 3.18Å; M47-R49 HydrophobicContact CE-CG 3.82Å; M47-R49 VanDerWaalsContact CE-NE 3.25Å; M47-R49 HydrophobicContact CG-CG 4.29Å; M47-R49 HydrophobicContact SD-CG 4.21Å; M47-R49 VanDerWaalsContact SD-CZ 3.55Å; M47-R49 PolarHBondContact SD-NE 3.09Å; M47-R49 PolarHBondContact SD-NH2 2.78Å
50K97.6Very high88.2Confident66 Ų6688 Ų8829%0.28742%0.422SS..EExtended strand (participates in β ladder)trans-139.2142.3-177.8-65.2-60.9177.1-169.90110.3Y36 I48 I139 F143 I145Y36-K50 HydrophobicContact CD1-CB 4.41Å; Y36-K50 PolarHBondContact N-O 3Å; Y36-K50 PolarHBondContact O-N 2.84Å; I48-K50 HydrophobicContact CG2-CG 3.98Å; K50-I139 HydrophobicContact CB-CD1 4.15Å; K50-F143 HydrophobicContact CB-CD2 3.96Å; K50-F143 HydrophobicContact CB-CE2 3.57Å; K50-F143 HydrophobicContact CB-CZ 3.9Å; K50-F143 HydrophobicContact CD-CB 4.45Å; K50-F143 HydrophobicContact CD-CD1 3.72Å; K50-F143 HydrophobicContact CD-CD2 3.99Å; K50-F143 HydrophobicContact CD-CE1 3.84Å; K50-F143 HydrophobicContact CD-CE2 4.12Å; K50-F143 HydrophobicContact CD-CG 3.78Å; K50-F143 HydrophobicContact CD-CZ 4.03Å; K50-F143 HydrophobicContact CG-CD2 3.89Å; K50-F143 HydrophobicContact CG-CE2 4Å; K50-F143 HydrophobicContact CG-CG 4.16Å; K50-F143 HydrophobicContact CG-CZ 4.34Å; K50-I145 HydrophobicContact CG-CD1 4.16Å
51E98.3Very high88.9Confident99 Ų9990.5 Ų90.546%0.46343%0.431SS..EExtended strand (participates in β ladder)trans-136.2135.9174.9-55.1-167.3150.900109K33 L34 R35 F143K33-E51 VanDerWaalsContact CE-CD 3.49Å; K33-E51 WeakPolarHBondContact CE-OE2 3.41Å; K33-E51 IonicContact NZ-OE1 2.69Å; K33-E51 IonicContact NZ-OE2 2.65Å; K33-E51 PolarHBondContact NZ-OE2 2.92Å; L34-E51 CarbonylContact O-C 3.57Å; L34-E51 VanDerWaalsContact O-CA 3.26Å; L34-E51 WeakPolarHBondContact O-CA 3.5Å; R35-E51 HydrophobicContact CB-CG 4.42Å; R35-E51 WeakPolarHBondContact CD-OE1 3.28Å; R35-E51 HydrophobicContact CG-CG 3.95Å; R35-E51 WeakPolarHBondContact CG-OE1 3.41Å; R35-E51 IonicContact CZ-OE1 3.73Å; R35-E51 IonicContact NE-OE1 3.68Å; R35-E51 PolarHBondContact NE-OE1 3.11Å; E51-F143 WeakPolarHBondContact O-CZ 3.27Å
52A98.3Very high90Very high14 Ų1488.2 Ų88.212%0.11642%0.419CS..EExtended strand (participates in β ladder)trans-147.3153.7176.500000109.7L34 F143L34-A52 PolarHBondContact N-O 3.46Å; L34-A52 PolarHBondContact O-N 3.06Å; A52-F143 HydrophobicContact CB-CE2 4.32Å; A52-F143 HydrophobicContact CB-CZ 4.15Å
53Y98.6Very high91.7Very high151 Ų15181.8 Ų81.859%0.59239%0.394SS*.EExtended strand (participates in β ladder)trans-92.1128.1167.3-77.7-90.8000108.8D31 G32 K33D31-Y53 HydrophobicContact CB-CE1 4.41Å; D31-Y53 WeakPolarHBondContact OD2-CE1 3.43Å; D31-Y53 PolarHBondContact OD2-OH 3.1Å; D31-Y53 VanDerWaalsContact OD2-OH 3.14Å; G32-Y53 WeakPolarHBondContact O-CA 3.34Å; K33-Y53 HydrophobicContact CB-CD1 4.17Å; K33-Y53 HydrophobicContact CB-CE1 3.76Å; K33-Y53 HydrophobicContact CD-CE2 4.38Å; K33-Y53 HydrophobicContact CG-CE1 4.31Å; K33-Y53 HydrophobicContact CG-CE2 4.3Å
54V98.4Very high93.3Very high27 Ų2779.3 Ų79.316%0.16438%0.38CS..PPolyproline II helixtrans-95.5153174.5-60.30000110.5F28 G32 L34 V58 M59 L138F28-V54 HydrophobicContact CD1-CG2 4.32Å; F28-V54 HydrophobicContact CE1-CG1 4.38Å; F28-V54 HydrophobicContact CE1-CG2 4.29Å; G32-V54 WeakPolarHBondContact O-CG2 3.3Å; G32-V54 PolarHBondContact O-N 3.18Å; L34-V54 HydrophobicContact CB-CG1 4.15Å; L34-V54 HydrophobicContact CD2-CG1 4.4Å; V54-V58 HydrophobicContact CB-CB 3.94Å; V54-V58 HydrophobicContact CB-CG1 4.04Å; V54-V58 HydrophobicContact CB-CG2 4.22Å; V54-V58 HydrophobicContact CG1-CG1 4.29Å; V54-V58 HydrophobicContact CG2-CB 4.03Å; V54-V58 HydrophobicContact CG2-CG1 4.05Å; V54-M59 HydrophobicContact CG2-CG 3.95Å; V54-M59 HydrophobicContact CG2-SD 3.51Å; V54-M59 VanDerWaalsContact CG2-SD 3.51Å; V54-L138 HydrophobicContact CG1-CD1 4.34Å
55H98.3Very high94.9Very high135 Ų13573.2 Ų73.263%0.62535%0.347SS*.PPolyproline II helixtrans-68.9152.9174.6-176.3-103.9000110.8S57 V58H55-S57 WeakPolarHBondContact ND1-CB 3.27Å; H55-S57 PolarHBondContact ND1-N 2.91Å; H55-S57 VanDerWaalsContact ND1-N 3.16Å; H55-S57 PolarHBondContact ND1-OG 2.63Å; H55-S57 PolarHBondContact O-N 2.87Å; H55-S57 VanDerWaalsContact O-N 3.08Å; H55-V58 WeakPolarHBondContact O-CB 3.46Å; H55-V58 PolarHBondContact O-N 2.84Å
56K96.9Very high96.4Very high142 Ų14268.7 Ų68.762%0.61732%0.323SS*.Hα-helixtrans-51-36.9178.5-178-179.6176.3-175.70112.9V58 M59 E60K56-V58 PolarHBondContact O-N 3.44Å; K56-M59 WeakPolarHBondContact O-CA 3.27Å; K56-M59 WeakPolarHBondContact O-CB 3.49Å; K56-M59 PolarHBondContact O-N 3.35Å; K56-E60 WeakPolarHBondContact CE-OE1 3.42Å; K56-E60 HydrophobicContact CG-CG 4.14Å; K56-E60 WeakPolarHBondContact O-CG 3.5Å; K56-E60 PolarHBondContact O-N 2.84Å
57S98.1Very high97.3Very high71 Ų7167.3 Ų67.350%0.49731%0.312SS..Hα-helixtrans-59.7-31.5178.159.90000113.6H55 E61H55-S57 WeakPolarHBondContact ND1-CB 3.27Å; H55-S57 PolarHBondContact ND1-N 2.91Å; H55-S57 VanDerWaalsContact ND1-N 3.16Å; H55-S57 PolarHBondContact ND1-OG 2.63Å; H55-S57 PolarHBondContact O-N 2.87Å; H55-S57 VanDerWaalsContact O-N 3.08Å; S57-E61 WeakPolarHBondContact O-CB 3.36Å; S57-E61 PolarHBondContact O-N 3.15Å
58V98.4Very high97.8Very high29 Ų2970 Ų7018%0.17633%0.327CS..Hα-helixtrans-69.9-38.9174.2179.90000110.3V54 H55 K56 E61 L62 L138V54-V58 HydrophobicContact CB-CB 3.94Å; V54-V58 HydrophobicContact CB-CG1 4.04Å; V54-V58 HydrophobicContact CB-CG2 4.22Å; V54-V58 HydrophobicContact CG1-CG1 4.29Å; V54-V58 HydrophobicContact CG2-CB 4.03Å; V54-V58 HydrophobicContact CG2-CG1 4.05Å; H55-V58 WeakPolarHBondContact O-CB 3.46Å; H55-V58 PolarHBondContact O-N 2.84Å; K56-V58 PolarHBondContact O-N 3.44Å; V58-E61 PolarHBondContact O-N 3.41Å; V58-L62 PolarHBondContact O-N 3.34Å; V58-L138 HydrophobicContact CG1-CD1 3.92Å
59M98.1Very high98.1Very high13 Ų1369.5 Ų69.56%0.06433%0.327CS..Hα-helixtrans-66.1-41176.5-57.5-62.6-7400111.7F7 F28 R29 V54 K56 L62 K63F7-M59 HydrophobicContact CD1-CE 3.39Å; F7-M59 HydrophobicContact CE1-CE 3.71Å; F28-M59 HydrophobicContact CB-CE 4.33Å; F28-M59 HydrophobicContact CD1-SD 3.96Å; R29-M59 VanDerWaalsContact O-CE 3.31Å; R29-M59 WeakPolarHBondContact O-CE 3.41Å; V54-M59 HydrophobicContact CG2-CG 3.95Å; V54-M59 HydrophobicContact CG2-SD 3.51Å; V54-M59 VanDerWaalsContact CG2-SD 3.51Å; K56-M59 WeakPolarHBondContact O-CA 3.27Å; K56-M59 WeakPolarHBondContact O-CB 3.49Å; K56-M59 PolarHBondContact O-N 3.35Å; M59-L62 WeakPolarHBondContact O-CB 3.48Å; M59-L62 PolarHBondContact O-N 3.41Å; M59-L62 HydrophobicContact SD-CD1 4.38Å; M59-K63 WeakPolarHBondContact O-CG 3.39Å; M59-K63 PolarHBondContact O-N 3.18Å; M59-K63 VanDerWaalsContact O-N 3.1Å
60E97.8Very high98.2Very high82 Ų8266.2 Ų66.238%0.38332%0.319SS..Hα-helixtrans-68.1-35.1176.1-61.2-56.6131.900112.1K56 K63 R64K56-E60 WeakPolarHBondContact CE-OE1 3.42Å; K56-E60 HydrophobicContact CG-CG 4.14Å; K56-E60 WeakPolarHBondContact O-CG 3.5Å; K56-E60 PolarHBondContact O-N 2.84Å; E60-K63 PolarHBondContact O-N 3.48Å; E60-K63 IonicContact OE1-NZ 3.39Å; E60-K63 PolarHBondContact OE1-NZ 3.28Å; E60-K63 IonicContact OE2-NZ 2.91Å; E60-R64 PolarHBondContact O-N 3.13Å
61E98.4Very high98.2Very high74 Ų7463 Ų6335%0.34631%0.305SS..Hα-helixtrans-68.6-37.1174.1-179.562.1-177.400112.3S57 V58 R64 I65S57-E61 WeakPolarHBondContact O-CB 3.36Å; S57-E61 PolarHBondContact O-N 3.15Å; V58-E61 PolarHBondContact O-N 3.41Å; E61-R64 PolarHBondContact O-N 2.84Å; E61-R64 IonicContact OE1-CZ 3.88Å; E61-R64 IonicContact OE1-NE 3.68Å; E61-R64 PolarHBondContact OE1-NE 3.34Å; E61-R64 IonicContact OE1-NH2 2.83Å; E61-R64 PolarHBondContact OE1-NH2 3.11Å; E61-R64 IonicContact OE2-CZ 3.95Å; E61-R64 IonicContact OE2-NE 2.95Å; E61-R64 PolarHBondContact OE2-NE 3.36Å; E61-R64 IonicContact OE2-NH2 3.11Å; E61-I65 HydrophobicContact CG-CD1 4.17Å; E61-I65 VanDerWaalsContact O-CG1 3.32Å; E61-I65 WeakPolarHBondContact O-CG1 3.36Å; E61-I65 PolarHBondContact O-N 2.81Å
62L98.1Very high98.2Very high0 Ų059.6 Ų59.60%029%0.291CS..Hα-helixtrans-59.7-45.5171.6-84.2163.9000111.8F7 F28 V58 M59 I65 I66 L131 L134F7-L62 HydrophobicContact CE1-CB 4.39Å; F7-L62 HydrophobicContact CE1-CD1 4.44Å; F7-L62 HydrophobicContact CZ-CB 3.88Å; F28-L62 HydrophobicContact CB-CD1 4.44Å; F28-L62 HydrophobicContact CD1-CD1 3.52Å; F28-L62 HydrophobicContact CD2-CD1 3.85Å; F28-L62 HydrophobicContact CE1-CD1 3.51Å; F28-L62 HydrophobicContact CE2-CD1 3.84Å; F28-L62 HydrophobicContact CE2-CD2 4.28Å; F28-L62 HydrophobicContact CG-CD1 3.68Å; F28-L62 HydrophobicContact CZ-CD1 3.66Å; V58-L62 PolarHBondContact O-N 3.34Å; M59-L62 WeakPolarHBondContact O-CB 3.48Å; M59-L62 PolarHBondContact O-N 3.41Å; M59-L62 HydrophobicContact SD-CD1 4.38Å; L62-I65 PolarHBondContact O-N 2.96Å; L62-I66 WeakPolarHBondContact O-CD1 3.33Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.31Å; L62-I66 PolarHBondContact O-N 2.87Å; L62-L131 HydrophobicContact CD2-CD2 3.56Å; L62-L134 HydrophobicContact CD2-CD2 3.61Å; L62-L134 HydrophobicContact CG-CD2 3.77Å
63K98.1Very high98.1Very high25 Ų2565.7 Ų65.711%0.10932%0.315CS..Hα-helixtrans-58.4-48.1174.5-68.8171.1-173.8173.80110.9S5 F7 M59 E60 I65 I66 D67 I94S5-K63 PolarHBondContact OG-NZ 2.97Å; F7-K63 HydrophobicContact CD2-CD 4.2Å; F7-K63 HydrophobicContact CD2-CG 3.46Å; F7-K63 VanDerWaalsContact CD2-CG 3.46Å; F7-K63 HydrophobicContact CE2-CG 3.56Å; F7-K63 HydrophobicContact CG-CG 4.18Å; F7-K63 HydrophobicContact CZ-CG 4.35Å; M59-K63 WeakPolarHBondContact O-CG 3.39Å; M59-K63 PolarHBondContact O-N 3.18Å; M59-K63 VanDerWaalsContact O-N 3.1Å; E60-K63 PolarHBondContact O-N 3.48Å; E60-K63 IonicContact OE1-NZ 3.39Å; E60-K63 PolarHBondContact OE1-NZ 3.28Å; E60-K63 IonicContact OE2-NZ 2.91Å; K63-I65 VanDerWaalsContact C-N 3.34Å; K63-I65 PolarHBondContact O-N 2.99Å; K63-I66 WeakPolarHBondContact O-CB 3.38Å; K63-I66 PolarHBondContact O-N 3.22Å; K63-I66 VanDerWaalsContact O-N 3.1Å; K63-D67 WeakPolarHBondContact O-CB 3.48Å; K63-D67 VanDerWaalsContact O-CG 3.26Å; K63-D67 PolarHBondContact O-N 3.23Å; K63-I94 HydrophobicContact CB-CD1 3.95Å; K63-I94 HydrophobicContact CG-CD1 3.93Å
64R98.4Very high98.1Very high114 Ų11460.8 Ų60.843%0.4330%0.297SS..Hα-helixtrans-56.2-45.4177.2-168.4-16969.577.10112.4E60 E61 I66 D67 D68E60-R64 PolarHBondContact O-N 3.13Å; E61-R64 PolarHBondContact O-N 2.84Å; E61-R64 IonicContact OE1-CZ 3.88Å; E61-R64 IonicContact OE1-NE 3.68Å; E61-R64 PolarHBondContact OE1-NE 3.34Å; E61-R64 IonicContact OE1-NH2 2.83Å; E61-R64 PolarHBondContact OE1-NH2 3.11Å; E61-R64 IonicContact OE2-CZ 3.95Å; E61-R64 IonicContact OE2-NE 2.95Å; E61-R64 PolarHBondContact OE2-NE 3.36Å; E61-R64 IonicContact OE2-NH2 3.11Å; R64-I66 VanDerWaalsContact C-N 3.32Å; R64-I66 PolarHBondContact O-N 3.26Å; R64-D67 PolarHBondContact O-N 3.13Å; R64-D68 IonicContact CZ-OD2 3.89Å; R64-D68 IonicContact NH1-OD2 2.74Å; R64-D68 PolarHBondContact NH1-OD2 3.15Å; R64-D68 VanDerWaalsContact O-CB 3.28Å; R64-D68 WeakPolarHBondContact O-CB 3.33Å; R64-D68 PolarHBondContact O-N 2.96Å
65I98.6Very high98.1Very high26 Ų2664.3 Ų64.313%0.13332%0.315CS..Hα-helixtrans-61.8-41.1177.8-69.3165.7000111.2E61 L62 K63 S69 L127 D130 L134E61-I65 HydrophobicContact CG-CD1 4.17Å; E61-I65 VanDerWaalsContact O-CG1 3.32Å; E61-I65 WeakPolarHBondContact O-CG1 3.36Å; E61-I65 PolarHBondContact O-N 2.81Å; L62-I65 PolarHBondContact O-N 2.96Å; K63-I65 VanDerWaalsContact C-N 3.34Å; K63-I65 PolarHBondContact O-N 2.99Å; I65-S69 WeakPolarHBondContact O-CB 3.03Å; I65-S69 PolarHBondContact O-N 3.29Å; I65-S69 VanDerWaalsContact O-N 3.15Å; I65-L127 HydrophobicContact CG2-CD1 3.75Å; I65-D130 HydrophobicContact CG2-CB 4.2Å; I65-L134 HydrophobicContact CD1-CD2 4.35Å
66I98.2Very high98.1Very high0 Ų059.9 Ų59.90%030%0.296CS..Hα-helixtrans-67.4-48.5178.2-68164.5000110.5F7 L9 L62 K63 R64 D68 S69 E70 I71 I92 I94 L127F7-I66 HydrophobicContact CE2-CD1 3.67Å; F7-I66 HydrophobicContact CZ-CD1 3.9Å; L9-I66 HydrophobicContact CD1-CD1 3.6Å; L9-I66 HydrophobicContact CD1-CG1 4.29Å; L62-I66 WeakPolarHBondContact O-CD1 3.33Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.31Å; L62-I66 PolarHBondContact O-N 2.87Å; K63-I66 WeakPolarHBondContact O-CB 3.38Å; K63-I66 PolarHBondContact O-N 3.22Å; K63-I66 VanDerWaalsContact O-N 3.1Å; R64-I66 VanDerWaalsContact C-N 3.32Å; R64-I66 PolarHBondContact O-N 3.26Å; I66-D68 PolarHBondContact O-N 3.21Å; I66-S69 PolarHBondContact O-N 3.21Å; I66-S69 PolarHBondContact O-OG 3.33Å; I66-E70 PolarHBondContact O-N 3.42Å; I66-I71 HydrophobicContact CG2-CG2 3.81Å; I66-I92 HydrophobicContact CD1-CD1 4.15Å; I66-I92 HydrophobicContact CD1-CG2 4.1Å; I66-I92 HydrophobicContact CG1-CD1 4.21Å; I66-I92 HydrophobicContact CG2-CD1 4.27Å; I66-I92 HydrophobicContact CG2-CG2 4.26Å; I66-I94 HydrophobicContact CG2-CD1 4.35Å; I66-L127 HydrophobicContact CG1-CD1 4.48Å
67D97.8Very high98.2Very high89 Ų8957 Ų5748%0.47630%0.298SS..Hα-helixtrans-59.6-47.9179.5-67.5-22.7000111.1K63 R64 S69 E70 I94K63-D67 WeakPolarHBondContact O-CB 3.48Å; K63-D67 VanDerWaalsContact O-CG 3.26Å; K63-D67 PolarHBondContact O-N 3.23Å; R64-D67 PolarHBondContact O-N 3.13Å; D67-S69 PolarHBondContact O-N 3.06Å; D67-E70 PolarHBondContact O-N 2.69Å; D67-E70 VanDerWaalsContact O-N 3.13Å; D67-I94 WeakPolarHBondContact OD1-CD1 3.45Å
68D98.4Very high98.2Very high106 Ų10658.3 Ų58.357%0.56730%0.3SS*.Hα-helixtrans-64.8-26.5179.5-73.3-12000112.5R64 I66 E70R64-D68 IonicContact CZ-OD2 3.89Å; R64-D68 IonicContact NH1-OD2 2.74Å; R64-D68 PolarHBondContact NH1-OD2 3.15Å; R64-D68 VanDerWaalsContact O-CB 3.28Å; R64-D68 WeakPolarHBondContact O-CB 3.33Å; R64-D68 PolarHBondContact O-N 2.96Å; I66-D68 PolarHBondContact O-N 3.21Å; D68-E70 VanDerWaalsContact C-N 3.3Å
69S98.4Very high98.2Very high26 Ų2657.5 Ų57.518%0.18229%0.294CS..Hα-helixtrans-75.8-19177.5750000113.4I65 I66 D67 I71 V123I65-S69 WeakPolarHBondContact O-CB 3.03Å; I65-S69 PolarHBondContact O-N 3.29Å; I65-S69 VanDerWaalsContact O-N 3.15Å; I66-S69 PolarHBondContact O-N 3.21Å; I66-S69 PolarHBondContact O-OG 3.33Å; D67-S69 PolarHBondContact O-N 3.06Å; S69-I71 PolarHBondContact O-N 3.11Å; S69-I71 VanDerWaalsContact O-N 3.15Å; S69-I71 WeakPolarHBondContact OG-CB 3.4Å; S69-I71 WeakPolarHBondContact OG-CG2 3.47Å; S69-I71 PolarHBondContact OG-N 2.7Å; S69-V123 WeakPolarHBondContact O-CG1 3.09Å
70E98.3Very high98.2Very high101 Ų10159.5 Ų59.547%0.47231%0.307SS..THydrogen-bonded Turntrans58.617.9-173.2-49.6-161.9125.200114.7I66 D67 D68 T72 K73I66-E70 PolarHBondContact O-N 3.42Å; D67-E70 PolarHBondContact O-N 2.69Å; D67-E70 VanDerWaalsContact O-N 3.13Å; D68-E70 VanDerWaalsContact C-N 3.3Å; E70-T72 PolarHBondContact O-N 3.25Å; E70-K73 HydrophobicContact CB-CD 4.11Å; E70-K73 VanDerWaalsContact CD-NZ 3.28Å; E70-K73 WeakPolarHBondContact O-CB 3.29Å; E70-K73 PolarHBondContact O-N 3.34Å; E70-K73 IonicContact OE1-NZ 3.64Å; E70-K73 PolarHBondContact OE1-NZ 2.74Å; E70-K73 IonicContact OE2-NZ 2.85Å
71I98.5Very high98.1Very high0 Ų060.3 Ų60.30%032%0.32CS..G310 helixtrans-57.4-26.7-175.8-171.661.6000114.1I66 S69 K73 E74 L90 I92 I99 F101 V123 F124 L127I66-I71 HydrophobicContact CG2-CG2 3.81Å; S69-I71 PolarHBondContact O-N 3.11Å; S69-I71 VanDerWaalsContact O-N 3.15Å; S69-I71 WeakPolarHBondContact OG-CB 3.4Å; S69-I71 WeakPolarHBondContact OG-CG2 3.47Å; S69-I71 PolarHBondContact OG-N 2.7Å; I71-K73 PolarHBondContact O-N 2.83Å; I71-E74 HydrophobicContact CD1-CB 4.36Å; I71-E74 HydrophobicContact CD1-CG 4.27Å; I71-E74 PolarHBondContact O-N 3.46Å; I71-L90 HydrophobicContact CG1-CD2 4.34Å; I71-I92 HydrophobicContact CG2-CD1 4.24Å; I71-I99 HydrophobicContact CG1-CD1 4.04Å; I71-I99 HydrophobicContact CG2-CD1 4.17Å; I71-F101 HydrophobicContact CD1-CD2 4.38Å; I71-F101 HydrophobicContact CD1-CE2 3.69Å; I71-F101 HydrophobicContact CG1-CE2 3.76Å; I71-V123 HydrophobicContact CB-CG1 4.18Å; I71-V123 HydrophobicContact CD1-CG1 3.92Å; I71-F124 HydrophobicContact CD1-CB 4.2Å; I71-F124 HydrophobicContact CD1-CD2 4.43Å; I71-L127 HydrophobicContact CB-CD2 3.64Å; I71-L127 HydrophobicContact CD1-CD2 4.3Å; I71-L127 HydrophobicContact CG1-CD2 3.59Å; I71-L127 HydrophobicContact CG2-CD2 3.61Å
72T97.6Very high98.1Very high27 Ų2759.3 Ų59.317%0.16632%0.32CS..G310 helixtrans-69.6-12.6178.356.50000113.2E70 I94 E97 I99E70-T72 PolarHBondContact O-N 3.25Å; T72-I94 HydrophobicContact CG2-CG2 4.09Å; T72-E97 WeakPolarHBondContact CB-OE2 3.38Å; T72-E97 HydrophobicContact CG2-CB 4.47Å; T72-E97 PolarHBondContact OG1-OE2 2.95Å; T72-E97 VanDerWaalsContact OG1-OE2 3.12Å; T72-I99 HydrophobicContact CG2-CD1 4.28Å
73K97.6Very high97.8Very high142 Ų14263.4 Ų63.462%0.61734%0.341SS*.G310 helixtrans-89.3-9.5175-54.7-178-170.6170.90113.3E70 I71E70-K73 HydrophobicContact CB-CD 4.11Å; E70-K73 VanDerWaalsContact CD-NZ 3.28Å; E70-K73 WeakPolarHBondContact O-CB 3.29Å; E70-K73 PolarHBondContact O-N 3.34Å; E70-K73 IonicContact OE1-NZ 3.64Å; E70-K73 PolarHBondContact OE1-NZ 2.74Å; E70-K73 IonicContact OE2-NZ 2.85Å; I71-K73 PolarHBondContact O-N 2.83Å
74E98.4Very high97.4Very high47 Ų4773.4 Ų73.422%0.2238%0.379CS..  trans-90160.6-177-55.8-58.3162.600112.2I71 W79 F101 G120 V123I71-E74 HydrophobicContact CD1-CB 4.36Å; I71-E74 HydrophobicContact CD1-CG 4.27Å; I71-E74 PolarHBondContact O-N 3.46Å; E74-W79 HydrophobicContact CB-CZ2 4.24Å; E74-F101 HydrophobicContact CB-CZ 4.29Å; E74-F101 WeakPolarHBondContact O-CE1 3.17Å; E74-F101 VanDerWaalsContact O-CZ 3.32Å; E74-F101 WeakPolarHBondContact O-CZ 3.37Å; E74-G120 VanDerWaalsContact CD-CA 3.46Å; E74-G120 WeakPolarHBondContact OE2-CA 3.13Å; E74-V123 HydrophobicContact CG-CB 4.29Å; E74-V123 HydrophobicContact CG-CG1 4.27Å
75D97.9Very high97.1Very high101 Ų10172.4 Ų72.454%0.5439%0.385SS..  trans-140.7137.9179.8-176-86.5000110.9A77 W79D75-A77 WeakPolarHBondContact OD1-CB 3.17Å; D75-A77 PolarHBondContact OD1-N 2.78Å; D75-W79 PolarHBondContact O-NE1 3.47Å
76D98.4Very high96.9Very high43 Ų4371.3 Ų71.323%0.2338%0.38CS..G310 helixtrans-89.85-174.173.8-17.2000114.7L78 W79 F101 T102D76-L78 PolarHBondContact O-N 3.06Å; D76-W79 HydrophobicContact CB-CB 4.24Å; D76-W79 HydrophobicContact CB-CD2 3.64Å; D76-W79 HydrophobicContact CB-CE3 3.48Å; D76-W79 VanDerWaalsContact CB-CE3 3.48Å; D76-W79 HydrophobicContact CB-CG 3.99Å; D76-W79 HydrophobicContact CB-CZ3 4.03Å; D76-W79 WeakPolarHBondContact O-CB 3.37Å; D76-W79 PolarHBondContact O-N 2.91Å; D76-F101 HydrophobicContact CB-CB 4.14Å; D76-F101 HydrophobicContact CB-CD1 3.75Å; D76-F101 HydrophobicContact CB-CG 4.25Å; D76-F101 VanDerWaalsContact OD2-CA 3.3Å; D76-F101 WeakPolarHBondContact OD2-CA 3.2Å; D76-T102 PolarHBondContact OD2-N 2.67Å
77A98.3Very high96.9Very high80 Ų8076.2 Ų76.266%0.66140%0.398SS*.G310 helixtrans-59.1-26-176.100000114D75D75-A77 WeakPolarHBondContact OD1-CB 3.17Å; D75-A77 PolarHBondContact OD1-N 2.78Å
78L98.1Very high96.9Very high100 Ų10072.4 Ų72.452%0.52438%0.378SS..G310 helixtrans-101.8-2.5178.2-63.5-177.3000113.6D76 K116 D117D76-L78 PolarHBondContact O-N 3.06Å; L78-K116 HydrophobicContact CB-CB 4.09Å; L78-D117 HydrophobicContact CB-CB 3.97Å; L78-D117 HydrophobicContact CD1-CB 4.49Å
79W98.3Very high96.9Very high12 Ų1268.6 Ų68.65%0.04536%0.356CS..SBendtrans-76.3152.7-177.1-63.36.2000110.9E74 D75 D76 F101 T103 D117 L121 F124E74-W79 HydrophobicContact CB-CZ2 4.24Å; D75-W79 PolarHBondContact O-NE1 3.47Å; D76-W79 HydrophobicContact CB-CB 4.24Å; D76-W79 HydrophobicContact CB-CD2 3.64Å; D76-W79 HydrophobicContact CB-CE3 3.48Å; D76-W79 VanDerWaalsContact CB-CE3 3.48Å; D76-W79 HydrophobicContact CB-CG 3.99Å; D76-W79 HydrophobicContact CB-CZ3 4.03Å; D76-W79 WeakPolarHBondContact O-CB 3.37Å; D76-W79 PolarHBondContact O-N 2.91Å; W79-F101 HydrophobicContact CE3-CB 4.37Å; W79-F101 HydrophobicContact CH2-CB 4.43Å; W79-F101 HydrophobicContact CH2-CD1 4.42Å; W79-F101 AromaticContact CH2-CD2 3.76Å; W79-F101 HydrophobicContact CH2-CD2 3.76Å; W79-F101 HydrophobicContact CH2-CE2 4.03Å; W79-F101 AromaticContact CH2-CG 3.96Å; W79-F101 HydrophobicContact CH2-CG 3.96Å; W79-F101 HydrophobicContact CH2-CZ 4.49Å; W79-F101 HydrophobicContact CZ3-CB 3.7Å; W79-F101 HydrophobicContact CZ3-CD1 4.36Å; W79-F101 AromaticContact CZ3-CD2 3.85Å; W79-F101 HydrophobicContact CZ3-CD2 3.85Å; W79-F101 AromaticContact CZ3-CG 3.72Å; W79-F101 HydrophobicContact CZ3-CG 3.72Å; W79-T103 HydrophobicContact CE3-CG2 4.16Å; W79-D117 PolarHBondContact NE1-OD2 3.34Å; W79-L121 HydrophobicContact CB-CD1 4.38Å; W79-L121 HydrophobicContact CB-CD2 4.14Å; W79-L121 HydrophobicContact CB-CG 4.41Å; W79-L121 HydrophobicContact CD2-CD2 3.41Å; W79-L121 VanDerWaalsContact CD2-CD2 3.41Å; W79-L121 HydrophobicContact CD2-CG 3.83Å; W79-L121 HydrophobicContact CE3-CD2 3.72Å; W79-L121 HydrophobicContact CG-CD1 4.11Å; W79-L121 HydrophobicContact CG-CD2 3.61Å; W79-L121 HydrophobicContact CG-CG 3.7Å; W79-L121 HydrophobicContact CZ2-CD2 4.45Å; W79-L121 HydrophobicContact CZ3-CD2 4.35Å; W79-F124 HydrophobicContact CH2-CB 3.6Å; W79-F124 AromaticContact CH2-CD2 3.71Å; W79-F124 HydrophobicContact CH2-CD2 3.71Å; W79-F124 AromaticContact CH2-CG 3.82Å; W79-F124 HydrophobicContact CH2-CG 3.82Å; W79-F124 HydrophobicContact CZ2-CB 4.23Å; W79-F124 HydrophobicContact CZ3-CB 4.02Å; W79-F124 HydrophobicContact CZ3-CD1 4.38Å; W79-F124 AromaticContact CZ3-CD2 3.51Å; W79-F124 HydrophobicContact CZ3-CD2 3.51Å; W79-F124 HydrophobicContact CZ3-CE2 4Å; W79-F124 AromaticContact CZ3-CG 3.72Å; W79-F124 HydrophobicContact CZ3-CG 3.72Å
80P97.7Very high97Very high54 Ų5467.3 Ų67.335%0.35135%0.348SS..PPolyproline II helixtrans-58.9126.7176.2-2433.3000111.2T103 S104P80-T103 CarbonylContact O-C 3.53Å; P80-T103 VanDerWaalsContact O-CA 3.3Å; P80-T103 WeakPolarHBondContact O-CA 3.49Å; P80-T103 PolarHBondContact O-OG1 2.93Å; P80-S104 PolarHBondContact O-N 2.87Å
81P97.4Very high97Very high100 Ų10064.7 Ų64.765%0.64934%0.335SS*.PPolyproline II helixtrans-68.5155.1178.329.4-35.4000111S104P81-S104 WeakPolarHBondContact O-CB 3.37Å
82P97Very high97Very high53 Ų5364.7 Ų64.734%0.34434%0.335SS..PPolyproline II helixtrans-53.3141.3175.7-25.433.2000113.1R87 T102P82-R87 HydrophobicContact CB-CB 3.98Å; P82-R87 HydrophobicContact CB-CG 3.87Å; P82-R87 HydrophobicContact CG-CB 4.46Å; P82-R87 HydrophobicContact CG-CG 3.84Å; P82-T102 HydrophobicContact CG-CG2 3.28Å
83D93.3Very high97Very high85 Ų8565 Ų6546%0.45534%0.337SS..  trans-136.5-163.9-176.865.331.3000112.1V85 G86 S104D83-V85 VanDerWaalsContact C-N 3.33Å; D83-V85 VanDerWaalsContact OD1-CA 3.29Å; D83-V85 WeakPolarHBondContact OD1-CA 3.49Å; D83-V85 WeakPolarHBondContact OD1-CB 3.27Å; D83-V85 PolarHBondContact OD1-N 3.16Å; D83-G86 PolarHBondContact N-O 3.08Å; D83-G86 PolarHBondContact OD1-N 3.25Å; D83-G86 VanDerWaalsContact OD1-N 3.11Å; D83-S104 PolarHBondContact OD1-OG 2.85Å; D83-S104 PolarHBondContact OD2-OG 3.45Å
84R89.3Confident96.9Very high236 Ų23659.2 Ų59.289%0.89131%0.313SS*.SBendtrans-71.4-25.8178.4-65.6-177.5178.8175.50.1113.4
85V90.8Very high96.6Very high93 Ų9358.5 Ų58.556%0.56432%0.318SS*.SBendtrans-71.9-36.4178-177.20000110.1H15 D83H15-V85 WeakPolarHBondContact CB-O 3.38Å; D83-V85 VanDerWaalsContact C-N 3.33Å; D83-V85 VanDerWaalsContact OD1-CA 3.29Å; D83-V85 WeakPolarHBondContact OD1-CA 3.49Å; D83-V85 WeakPolarHBondContact OD1-CB 3.27Å; D83-V85 PolarHBondContact OD1-N 3.16Å
86G95.6Very high96.3Very high2 Ų262.1 Ų62.12%0.02134%0.337CS..  trans164-172.5166.900000115.2G14 D83G14-G86 CarbonylContact O-C 3.58Å; G14-G86 VanDerWaalsContact O-CA 3.31Å; G14-G86 WeakPolarHBondContact O-CA 3.4Å; D83-G86 PolarHBondContact N-O 3.08Å; D83-G86 PolarHBondContact OD1-N 3.25Å; D83-G86 VanDerWaalsContact OD1-N 3.11Å
87R97.6Very high96.2Very high103 Ų10364.5 Ų64.539%0.38935%0.347SS..EExtended strand (participates in β ladder)trans-137.6141.2-179.5-178.5171.9-168.8-164.90.9109.7Y12 V13 G14 P82 E89 T103Y12-R87 HydrophobicContact CE1-CB 4.38Å; Y12-R87 HydrophobicContact CE1-CG 4.46Å; V13-R87 WeakPolarHBondContact CA-O 3.5Å; G14-R87 PolarHBondContact N-O 2.91Å; G14-R87 PolarHBondContact O-N 2.86Å; P82-R87 HydrophobicContact CB-CB 3.98Å; P82-R87 HydrophobicContact CB-CG 3.87Å; P82-R87 HydrophobicContact CG-CB 4.46Å; P82-R87 HydrophobicContact CG-CG 3.84Å; R87-E89 HydrophobicContact CG-CG 4.24Å; R87-E89 IonicContact CZ-OE1 2.91Å; R87-E89 IonicContact NE-OE1 2.67Å; R87-E89 PolarHBondContact NE-OE1 2.89Å; R87-E89 IonicContact NH1-OE1 2.83Å; R87-E89 PolarHBondContact NH1-OE1 2.83Å; R87-E89 IonicContact NH2-OE1 3.77Å; R87-E89 PolarHBondContact NH2-OE1 2.87Å; R87-E89 VanDerWaalsContact NH2-OE1 3.13Å; R87-T103 CarbonylContact C-O 3.56Å; R87-T103 WeakPolarHBondContact CA-O 3.46Å
88Q98.6Very high96.1Very high9 Ų966.4 Ų66.44%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-123.2141.3166.9-58.9-172.2-86.600109.1Y11 Y12 V13 T102 T103 S104 F124Y11-Q88 PolarHBondContact OH-NE2 3.19Å; Y12-Q88 CarbonylContact O-C 3.54Å; Y12-Q88 VanDerWaalsContact O-CA 3.27Å; Y12-Q88 WeakPolarHBondContact O-CA 3.32Å; V13-Q88 HydrophobicContact CB-CG 4.11Å; V13-Q88 HydrophobicContact CG2-CG 3.78Å; Q88-T102 WeakPolarHBondContact O-CA 3.35Å; Q88-T103 HydrophobicContact CB-CG2 3.98Å; Q88-T103 PolarHBondContact N-O 3Å; Q88-T103 PolarHBondContact O-N 2.91Å; Q88-S104 PolarHBondContact OE1-O 2.84Å; Q88-F124 HydrophobicContact CB-CE1 4.44Å; Q88-F124 HydrophobicContact CB-CZ 4.17Å
89E98.8Very high96.1Very high26 Ų2662.7 Ų62.712%0.12132%0.323CS..EExtended strand (participates in β ladder)trans-132.4137.9173.1-54.9171.3-168.700108.4R10 Y11 Y12 R87 F101R10-E89 IonicContact CZ-OE2 3.37Å; R10-E89 IonicContact NH1-OE2 3.93Å; R10-E89 PolarHBondContact NH1-OE2 2.82Å; R10-E89 IonicContact NH2-OE2 3.47Å; R10-E89 PolarHBondContact NH2-OE2 3.39Å; Y11-E89 WeakPolarHBondContact CA-O 3.5Å; Y11-E89 WeakPolarHBondContact CD2-O 3.48Å; Y12-E89 HydrophobicContact CD1-CG 4.16Å; Y12-E89 PolarHBondContact N-O 2.94Å; Y12-E89 PolarHBondContact O-N 3.05Å; R87-E89 HydrophobicContact CG-CG 4.24Å; R87-E89 IonicContact CZ-OE1 2.91Å; R87-E89 IonicContact NE-OE1 2.67Å; R87-E89 PolarHBondContact NE-OE1 2.89Å; R87-E89 IonicContact NH1-OE1 2.83Å; R87-E89 PolarHBondContact NH1-OE1 2.83Å; R87-E89 IonicContact NH2-OE1 3.77Å; R87-E89 PolarHBondContact NH2-OE1 2.87Å; R87-E89 VanDerWaalsContact NH2-OE1 3.13Å; E89-F101 WeakPolarHBondContact CA-O 3.49Å
90L98.8Very high96.1Very high0 Ų065.3 Ų65.30%034%0.343CS..EExtended strand (participates in β ladder)trans-134.1125.6171.4179.966.2000108R10 Y11 I71 I92 S100 F101 F124 L127 L131R10-L90 WeakPolarHBondContact O-CA 2.98Å; Y11-L90 HydrophobicContact CD2-CD1 4.29Å; I71-L90 HydrophobicContact CG1-CD2 4.34Å; L90-I92 HydrophobicContact CD1-CD1 4.07Å; L90-I92 HydrophobicContact CD1-CG1 4.16Å; L90-I92 HydrophobicContact CD2-CD1 3.93Å; L90-I92 HydrophobicContact CG-CD1 3.99Å; L90-I92 HydrophobicContact CG-CG1 4.19Å; L90-S100 CarbonylContact O-C 3.59Å; L90-S100 WeakPolarHBondContact O-CA 3.33Å; L90-F101 HydrophobicContact CD2-CD2 4.39Å; L90-F101 PolarHBondContact N-O 3.07Å; L90-F101 VanDerWaalsContact N-O 3.15Å; L90-F101 PolarHBondContact O-N 3.39Å; L90-F124 HydrophobicContact CB-CE2 3.66Å; L90-F124 HydrophobicContact CB-CZ 4.45Å; L90-F124 HydrophobicContact CD2-CD2 3.99Å; L90-F124 HydrophobicContact CD2-CE2 3.86Å; L90-F124 HydrophobicContact CG-CE2 4.43Å; L90-L127 HydrophobicContact CD2-CD2 4.01Å; L90-L131 HydrophobicContact CD1-CD1 4.22Å
91E98.8Very high96.2Very high45 Ų4563.1 Ų63.121%0.2133%0.328CS..EExtended strand (participates in β ladder)trans-127.8125.3178.4-175.2179.7-168.300108.3Y8 L9 R10 H98 I99Y8-E91 HydrophobicContact CD1-CG 4.36Å; Y8-E91 HydrophobicContact CE1-CB 4.28Å; Y8-E91 HydrophobicContact CE1-CG 3.89Å; L9-E91 CarbonylContact C-O 3.56Å; L9-E91 WeakPolarHBondContact CA-O 3.35Å; R10-E91 HydrophobicContact CB-CB 4.43Å; R10-E91 IonicContact CZ-OE2 3.96Å; R10-E91 PolarHBondContact N-O 3.39Å; R10-E91 IonicContact NE-OE2 3.35Å; R10-E91 PolarHBondContact NE-OE2 2.76Å; R10-E91 IonicContact NH2-OE2 3.57Å; R10-E91 PolarHBondContact O-N 3.1Å; E91-H98 IonicContact OE1-NE2 3.49Å; E91-H98 PolarHBondContact OE1-NE2 2.83Å; E91-I99 WeakPolarHBondContact CA-O 3.48Å
92I98.6Very high96.2Very high0 Ų060.3 Ų60.30%031%0.309CS..EExtended strand (participates in β ladder)trans-134.1129.9-177.8-63.5168.3000108.8Y8 L9 I66 I71 L90 I94 H98 I99 L127Y8-I92 CarbonylContact O-C 3.5Å; Y8-I92 WeakPolarHBondContact O-CA 3.35Å; L9-I92 HydrophobicContact CD1-CD1 4.27Å; L9-I92 HydrophobicContact CD1-CG1 4.12Å; L9-I92 HydrophobicContact CG-CG1 4.14Å; I66-I92 HydrophobicContact CD1-CD1 4.15Å; I66-I92 HydrophobicContact CD1-CG2 4.1Å; I66-I92 HydrophobicContact CG1-CD1 4.21Å; I66-I92 HydrophobicContact CG2-CD1 4.27Å; I66-I92 HydrophobicContact CG2-CG2 4.26Å; I71-I92 HydrophobicContact CG2-CD1 4.24Å; L90-I92 HydrophobicContact CD1-CD1 4.07Å; L90-I92 HydrophobicContact CD1-CG1 4.16Å; L90-I92 HydrophobicContact CD2-CD1 3.93Å; L90-I92 HydrophobicContact CG-CD1 3.99Å; L90-I92 HydrophobicContact CG-CG1 4.19Å; I92-I94 HydrophobicContact CG2-CB 4.27Å; I92-I94 HydrophobicContact CG2-CG2 4.12Å; I92-H98 WeakPolarHBondContact O-CA 3.15Å; I92-H98 PolarHBondContact O-CD2 3.3Å; I92-I99 HydrophobicContact CB-CD1 4.13Å; I92-I99 HydrophobicContact CB-CG1 3.79Å; I92-I99 HydrophobicContact CD1-CD1 4.07Å; I92-I99 HydrophobicContact CG1-CD1 4.48Å; I92-I99 PolarHBondContact N-O 2.99Å; I92-I99 PolarHBondContact O-N 2.97Å; I92-L127 HydrophobicContact CD1-CD2 4.41Å
93V98.2Very high96.3Very high35 Ų3557.8 Ų57.821%0.21229%0.292CS..EExtended strand (participates in β ladder)trans-113.5124.7163-176.80000106.9D6 F7 Y8 E97 H98D6-V93 HydrophobicContact CB-CG1 4.37Å; F7-V93 VanDerWaalsContact CA-O 3.29Å; F7-V93 WeakPolarHBondContact CA-O 3.46Å; Y8-V93 HydrophobicContact CD1-CG2 4.35Å; Y8-V93 PolarHBondContact N-O 3.27Å; Y8-V93 PolarHBondContact O-N 3.38Å; V93-E97 WeakPolarHBondContact CA-O 3.38Å; V93-H98 HydrophobicContact CG2-CB 4.46Å
94I95.3Very high96.5Very high19 Ų1954.1 Ų54.110%0.09727%0.274CS..EExtended strand (participates in β ladder)trans-142.7107.2177.3-173.1165.3000109.8F7 K63 I66 D67 T72 I92 D96 E97F7-I94 HydrophobicContact CD2-CB 4.44Å; F7-I94 HydrophobicContact CD2-CD1 4.46Å; F7-I94 HydrophobicContact CD2-CG1 4.34Å; F7-I94 HydrophobicContact CE2-CD1 4.49Å; K63-I94 HydrophobicContact CB-CD1 3.95Å; K63-I94 HydrophobicContact CG-CD1 3.93Å; I66-I94 HydrophobicContact CG2-CD1 4.35Å; D67-I94 WeakPolarHBondContact OD1-CD1 3.45Å; T72-I94 HydrophobicContact CG2-CG2 4.09Å; I92-I94 HydrophobicContact CG2-CB 4.27Å; I92-I94 HydrophobicContact CG2-CG2 4.12Å; I94-D96 PolarHBondContact O-N 2.81Å; I94-E97 HydrophobicContact CG2-CB 4.2Å; I94-E97 PolarHBondContact N-O 3.34Å; I94-E97 PolarHBondContact O-N 2.97Å; I94-E97 VanDerWaalsContact O-N 3.12Å
95G91.9Very high96.8Very high33 Ų3347.2 Ų47.234%0.3425%0.25SS..THydrogen-bonded Turntrans63.4-120.1-172.900000110.7D6D6-G95 PolarHBondContact O-N 2.82Å
96D92.6Very high97Very high176 Ų17644 Ų4494%0.94123%0.229SC*.THydrogen-bonded Turntrans-95.5-2.1179.3-61.7-39.5000113.1I94I94-D96 PolarHBondContact O-N 2.81Å
97E94.5Very high96.7Very high94 Ų9446.7 Ų46.744%0.43926%0.257SS..EExtended strand (participates in β ladder)trans-91.7133.8179.6-60.3-171.4127.600110.9T72 V93 I94T72-E97 WeakPolarHBondContact CB-OE2 3.38Å; T72-E97 HydrophobicContact CG2-CB 4.47Å; T72-E97 PolarHBondContact OG1-OE2 2.95Å; T72-E97 VanDerWaalsContact OG1-OE2 3.12Å; V93-E97 WeakPolarHBondContact CA-O 3.38Å; I94-E97 HydrophobicContact CG2-CB 4.2Å; I94-E97 PolarHBondContact N-O 3.34Å; I94-E97 PolarHBondContact O-N 2.97Å; I94-E97 VanDerWaalsContact O-N 3.12Å
98H97.3Very high96.5Very high120 Ų12043.7 Ų43.756%0.55625%0.252SS*.EExtended strand (participates in β ladder)trans-132.7119.3172.7-179-159.8000109.7E91 I92 V93E91-H98 IonicContact OE1-NE2 3.49Å; E91-H98 PolarHBondContact OE1-NE2 2.83Å; I92-H98 WeakPolarHBondContact O-CA 3.15Å; I92-H98 PolarHBondContact O-CD2 3.3Å; V93-H98 HydrophobicContact CG2-CB 4.46Å
99I97.9Very high96.4Very high21 Ų2146.1 Ų46.111%0.10827%0.265CS..EExtended strand (participates in β ladder)trans-120.2147.9174.356.6163.9000110.6I71 T72 E91 I92 F101I71-I99 HydrophobicContact CG1-CD1 4.04Å; I71-I99 HydrophobicContact CG2-CD1 4.17Å; T72-I99 HydrophobicContact CG2-CD1 4.28Å; E91-I99 WeakPolarHBondContact CA-O 3.48Å; I92-I99 HydrophobicContact CB-CD1 4.13Å; I92-I99 HydrophobicContact CB-CG1 3.79Å; I92-I99 HydrophobicContact CD1-CD1 4.07Å; I92-I99 HydrophobicContact CG1-CD1 4.48Å; I92-I99 PolarHBondContact N-O 2.99Å; I92-I99 PolarHBondContact O-N 2.97Å; I99-F101 HydrophobicContact CB-CE1 4.32Å; I99-F101 HydrophobicContact CB-CE2 4.4Å; I99-F101 HydrophobicContact CB-CZ 4.01Å; I99-F101 HydrophobicContact CD1-CD2 4.31Å; I99-F101 HydrophobicContact CD1-CE2 3.51Å; I99-F101 HydrophobicContact CD1-CZ 3.81Å; I99-F101 HydrophobicContact CG1-CE2 4.44Å; I99-F101 HydrophobicContact CG1-CZ 4.49Å; I99-F101 HydrophobicContact CG2-CZ 4.27Å
100S98.4Very high96.3Very high68 Ų6850 Ų5048%0.47629%0.285SS..EExtended strand (participates in β ladder)trans-147.2101.8176.6168.60000109.5L90L90-S100 CarbonylContact O-C 3.59Å; L90-S100 WeakPolarHBondContact O-CA 3.33Å
101F98.7Very high96.1Very high8 Ų853.6 Ų53.64%0.03531%0.305CS..EExtended strand (participates in β ladder)trans-98.7147.8179-54.2-45.1000112.3I71 E74 D76 W79 E89 L90 I99 F124I71-F101 HydrophobicContact CD1-CD2 4.38Å; I71-F101 HydrophobicContact CD1-CE2 3.69Å; I71-F101 HydrophobicContact CG1-CE2 3.76Å; E74-F101 HydrophobicContact CB-CZ 4.29Å; E74-F101 WeakPolarHBondContact O-CE1 3.17Å; E74-F101 VanDerWaalsContact O-CZ 3.32Å; E74-F101 WeakPolarHBondContact O-CZ 3.37Å; D76-F101 HydrophobicContact CB-CB 4.14Å; D76-F101 HydrophobicContact CB-CD1 3.75Å; D76-F101 HydrophobicContact CB-CG 4.25Å; D76-F101 VanDerWaalsContact OD2-CA 3.3Å; D76-F101 WeakPolarHBondContact OD2-CA 3.2Å; W79-F101 HydrophobicContact CE3-CB 4.37Å; W79-F101 HydrophobicContact CH2-CB 4.43Å; W79-F101 HydrophobicContact CH2-CD1 4.42Å; W79-F101 AromaticContact CH2-CD2 3.76Å; W79-F101 HydrophobicContact CH2-CD2 3.76Å; W79-F101 HydrophobicContact CH2-CE2 4.03Å; W79-F101 AromaticContact CH2-CG 3.96Å; W79-F101 HydrophobicContact CH2-CG 3.96Å; W79-F101 HydrophobicContact CH2-CZ 4.49Å; W79-F101 HydrophobicContact CZ3-CB 3.7Å; W79-F101 HydrophobicContact CZ3-CD1 4.36Å; W79-F101 AromaticContact CZ3-CD2 3.85Å; W79-F101 HydrophobicContact CZ3-CD2 3.85Å; W79-F101 AromaticContact CZ3-CG 3.72Å; W79-F101 HydrophobicContact CZ3-CG 3.72Å; E89-F101 WeakPolarHBondContact CA-O 3.49Å; L90-F101 HydrophobicContact CD2-CD2 4.39Å; L90-F101 PolarHBondContact N-O 3.07Å; L90-F101 VanDerWaalsContact N-O 3.15Å; L90-F101 PolarHBondContact O-N 3.39Å; I99-F101 HydrophobicContact CB-CE1 4.32Å; I99-F101 HydrophobicContact CB-CE2 4.4Å; I99-F101 HydrophobicContact CB-CZ 4.01Å; I99-F101 HydrophobicContact CD1-CD2 4.31Å; I99-F101 HydrophobicContact CD1-CE2 3.51Å; I99-F101 HydrophobicContact CD1-CZ 3.81Å; I99-F101 HydrophobicContact CG1-CE2 4.44Å; I99-F101 HydrophobicContact CG1-CZ 4.49Å; I99-F101 HydrophobicContact CG2-CZ 4.27Å; F101-F124 HydrophobicContact CB-CE2 4.49Å; F101-F124 HydrophobicContact CD2-CD2 4.21Å; F101-F124 HydrophobicContact CD2-CE2 4.45Å
102T98.6Very high96.1Very high40 Ų4051.4 Ų51.425%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-138.7118.2172.5-71.40000110.3D76 P82 Q88D76-T102 PolarHBondContact OD2-N 2.67Å; P82-T102 HydrophobicContact CG-CG2 3.28Å; Q88-T102 WeakPolarHBondContact O-CA 3.35Å
103T98.5Very high96Very high0 Ų055.9 Ų55.90%032%0.319CS..EExtended strand (participates in β ladder)trans-139.3169.5-177.9-173.20000112.2W79 P80 R87 Q88 F124W79-T103 HydrophobicContact CE3-CG2 4.16Å; P80-T103 CarbonylContact O-C 3.53Å; P80-T103 VanDerWaalsContact O-CA 3.3Å; P80-T103 WeakPolarHBondContact O-CA 3.49Å; P80-T103 PolarHBondContact O-OG1 2.93Å; R87-T103 CarbonylContact C-O 3.56Å; R87-T103 WeakPolarHBondContact CA-O 3.46Å; Q88-T103 HydrophobicContact CB-CG2 3.98Å; Q88-T103 PolarHBondContact N-O 3Å; Q88-T103 PolarHBondContact O-N 2.91Å; T103-F124 HydrophobicContact CG2-CE1 3.81Å; T103-F124 HydrophobicContact CG2-CZ 3.96Å
104S97.4Very high95.9Very high9 Ų961.6 Ų61.66%0.06334%0.343CS..PPolyproline II helixtrans-67.1168.3170-167.80000111.4P80 P81 D83 Q88 I106P80-S104 PolarHBondContact O-N 2.87Å; P81-S104 WeakPolarHBondContact O-CB 3.37Å; D83-S104 PolarHBondContact OD1-OG 2.85Å; D83-S104 PolarHBondContact OD2-OG 3.45Å; Q88-S104 PolarHBondContact OE1-O 2.84Å; S104-I106 PolarHBondContact O-N 2.82Å
105K95.3Very high96Very high91 Ų9161.8 Ų61.840%0.39635%0.346SS..PPolyproline II helixtrans-69.8116.8174.4-176.4179.6178.8-177.10110.2
106I95Very high96.3Very high25 Ų2568.2 Ų68.213%0.12837%0.365CS..PPolyproline II helixtrans-83.7121.5174.3-54165.1000109S104 D111 V112 L121 F124 Y125S104-I106 PolarHBondContact O-N 2.82Å; I106-D111 HydrophobicContact CG2-CB 4.36Å; I106-V112 HydrophobicContact CG2-CG2 3.74Å; I106-L121 HydrophobicContact CD1-CD2 3.76Å; I106-F124 HydrophobicContact CD1-CD1 3.66Å; I106-F124 HydrophobicContact CD1-CE1 3.86Å; I106-Y125 HydrophobicContact CB-CD2 4.43Å; I106-Y125 HydrophobicContact CG2-CD2 3.72Å; I106-Y125 HydrophobicContact CG2-CE2 4.17Å
107G90.5Very high96.5Very high59 Ų5961.3 Ų61.361%0.60833%0.328SS*.  trans-91.5-37.2-179.200000113.1D111G107-D111 VanDerWaalsContact CA-OD2 3.29Å; G107-D111 WeakPolarHBondContact CA-OD2 3.32Å; G107-D111 PolarHBondContact N-OD2 3Å
108S93.8Very high96.7Very high39 Ų3958.7 Ų58.727%0.27332%0.318SS..SBendtrans-157.4173.1-175.9700000113I110 D111 V112S108-I110 PolarHBondContact O-N 2.94Å; S108-I110 WeakPolarHBondContact OG-CB 3.44Å; S108-I110 PolarHBondContact OG-N 3.45Å; S108-D111 PolarHBondContact N-OD2 3.27Å; S108-D111 WeakPolarHBondContact O-CB 3.27Å; S108-D111 PolarHBondContact O-N 3.08Å; S108-D111 VanDerWaalsContact O-N 3.15Å; S108-V112 PolarHBondContact O-N 3.11Å
109L95.1Very high96.7Very high60 Ų6058.5 Ų58.531%0.31432%0.318SS..Hα-helixtrans-62.8-18.3171.3-70.3174.2000113.7D111 V112 N113 Y125 Y126L109-D111 VanDerWaalsContact C-N 3.34Å; L109-V112 PolarHBondContact O-N 3.01Å; L109-N113 WeakPolarHBondContact O-CB 3.28Å; L109-N113 PolarHBondContact O-N 2.99Å; L109-N113 PolarHBondContact O-ND2 2.86Å; L109-Y125 HydrophobicContact CD2-CD1 3.57Å; L109-Y125 HydrophobicContact CD2-CE1 3.59Å; L109-Y125 HydrophobicContact CD2-CG 4.45Å; L109-Y125 HydrophobicContact CG-CD1 4.34Å; L109-Y125 HydrophobicContact CG-CE1 3.84Å; L109-Y126 HydrophobicContact CD2-CE2 4.46Å
110I96.9Very high96.8Very high108 Ų10857.5 Ų57.555%0.55431%0.313SS*.Hα-helixtrans-64.5-44.6173.7-62.4174000109.5S108 V112 N113 Q114S108-I110 PolarHBondContact O-N 2.94Å; S108-I110 WeakPolarHBondContact OG-CB 3.44Å; S108-I110 PolarHBondContact OG-N 3.45Å; I110-V112 VanDerWaalsContact C-N 3.3Å; I110-V112 PolarHBondContact O-N 2.93Å; I110-N113 PolarHBondContact O-N 2.79Å; I110-Q114 HydrophobicContact CG2-CG 4.48Å; I110-Q114 WeakPolarHBondContact O-CB 3.26Å; I110-Q114 WeakPolarHBondContact O-CG 3.5Å; I110-Q114 PolarHBondContact O-N 2.97Å
111D95.4Very high96.7Very high75 Ų7554.4 Ų54.440%0.40129%0.291SS..Hα-helixtrans-63.3-39.7179.3-51.1-43.1000110.9I106 G107 S108 L109 S115I106-D111 HydrophobicContact CG2-CB 4.36Å; G107-D111 VanDerWaalsContact CA-OD2 3.29Å; G107-D111 WeakPolarHBondContact CA-OD2 3.32Å; G107-D111 PolarHBondContact N-OD2 3Å; S108-D111 PolarHBondContact N-OD2 3.27Å; S108-D111 WeakPolarHBondContact O-CB 3.27Å; S108-D111 PolarHBondContact O-N 3.08Å; S108-D111 VanDerWaalsContact O-N 3.15Å; L109-D111 VanDerWaalsContact C-N 3.34Å; D111-S115 PolarHBondContact O-N 3.2Å
112V97.4Very high96.7Very high0 Ų057 Ų570%030%0.301CS..Hα-helixtrans-62-51.91751760000110.8I106 S108 L109 I110 Q114 S115 P118 L121 R122 Y125I106-V112 HydrophobicContact CG2-CG2 3.74Å; S108-V112 PolarHBondContact O-N 3.11Å; L109-V112 PolarHBondContact O-N 3.01Å; I110-V112 VanDerWaalsContact C-N 3.3Å; I110-V112 PolarHBondContact O-N 2.93Å; V112-Q114 PolarHBondContact O-N 2.9Å; V112-S115 VanDerWaalsContact O-CB 3.27Å; V112-S115 WeakPolarHBondContact O-CB 3.27Å; V112-S115 PolarHBondContact O-N 3.38Å; V112-S115 VanDerWaalsContact O-N 3.11Å; V112-S115 PolarHBondContact O-OG 3.49Å; V112-P118 WeakPolarHBondContact CG1-O 3.17Å; V112-P118 WeakPolarHBondContact O-CA 3.28Å; V112-P118 WeakPolarHBondContact O-CB 3.4Å; V112-L121 HydrophobicContact CG1-CB 3.94Å; V112-L121 HydrophobicContact CG2-CB 4.48Å; V112-R122 HydrophobicContact CG1-CB 3.88Å; V112-Y125 HydrophobicContact CG2-CG 4.32Å
113N97Very high96.7Very high94 Ų9457 Ų5750%0.50330%0.3SS..Hα-helixtrans-67.4-22.2-175.8-69.5-23.3000113.5L109 I110 R122L109-N113 WeakPolarHBondContact O-CB 3.28Å; L109-N113 PolarHBondContact O-N 2.99Å; L109-N113 PolarHBondContact O-ND2 2.86Å; I110-N113 PolarHBondContact O-N 2.79Å; N113-R122 PolarHBondContact OD1-NH2 3.46Å; N113-R122 VanDerWaalsContact OD1-NH2 3.14Å
114Q96.4Very high96.7Very high155 Ų15557 Ų5772%0.72430%0.3SS*.THydrogen-bonded Turntrans-92-1.9176.8-69-179.5-5.200113.5I110 V112I110-Q114 HydrophobicContact CG2-CG 4.48Å; I110-Q114 WeakPolarHBondContact O-CB 3.26Å; I110-Q114 WeakPolarHBondContact O-CG 3.5Å; I110-Q114 PolarHBondContact O-N 2.97Å; V112-Q114 PolarHBondContact O-N 2.9Å
115S97.1Very high96.8Very high23 Ų2359 Ų5916%0.16131%0.306CS..SBendtrans-76.3172.3179.477.10000112.7D111 V112 D117 P118 L121D111-S115 PolarHBondContact O-N 3.2Å; V112-S115 VanDerWaalsContact O-CB 3.27Å; V112-S115 WeakPolarHBondContact O-CB 3.27Å; V112-S115 PolarHBondContact O-N 3.38Å; V112-S115 VanDerWaalsContact O-N 3.11Å; V112-S115 PolarHBondContact O-OG 3.49Å; S115-D117 VanDerWaalsContact C-N 3.29Å; S115-D117 PolarHBondContact OG-N 3.29Å; S115-D117 PolarHBondContact OG-O 3Å; S115-P118 WeakPolarHBondContact OG-CA 3.42Å; S115-L121 VanDerWaalsContact CB-CD1 3.41Å; S115-L121 WeakPolarHBondContact OG-CD1 3.25Å
116K98Very high96.9Very high168 Ų16859.7 Ų59.773%0.7331%0.308SS*.SBendtrans-79.5-13.3175.1-64.8-179.1-178.9177.50113.4L78L78-K116 HydrophobicContact CB-CB 4.09Å
117D98.2Very high97.1Very high31 Ų3158.6 Ų58.617%0.16630%0.302CS..  trans-140.276.4177.5174.631.4000109.7L78 W79 S115 E119 G120 L121L78-D117 HydrophobicContact CB-CB 3.97Å; L78-D117 HydrophobicContact CD1-CB 4.49Å; W79-D117 PolarHBondContact NE1-OD2 3.34Å; S115-D117 VanDerWaalsContact C-N 3.29Å; S115-D117 PolarHBondContact OG-N 3.29Å; S115-D117 PolarHBondContact OG-O 3Å; D117-E119 VanDerWaalsContact C-N 3.27Å; D117-E119 PolarHBondContact O-N 3.44Å; D117-G120 PolarHBondContact OD1-N 2.9Å; D117-G120 WeakPolarHBondContact OD2-CA 3.49Å; D117-L121 WeakPolarHBondContact O-CB 3.29Å; D117-L121 PolarHBondContact O-N 3.32Å
118P98.1Very high97.5Very high38 Ų3856 Ų5625%0.24727%0.274CS..Hα-helixtrans-71.2-20.7-175.828.9-35.7000113.3V112 S115 R122V112-P118 WeakPolarHBondContact CG1-O 3.17Å; V112-P118 WeakPolarHBondContact O-CA 3.28Å; V112-P118 WeakPolarHBondContact O-CB 3.4Å; S115-P118 WeakPolarHBondContact OG-CA 3.42Å; P118-R122 WeakPolarHBondContact O-CB 3.35Å; P118-R122 PolarHBondContact O-N 2.92Å; P118-R122 PolarHBondContact O-NH2 3.08Å
119E98.1Very high97.7Very high117 Ų11757.7 Ų57.755%0.54728%0.278SS..Hα-helixtrans-77.7-54.8179.1-61.1-53.1120.200110.3D117 L121 R122 V123D117-E119 VanDerWaalsContact C-N 3.27Å; D117-E119 PolarHBondContact O-N 3.44Å; E119-L121 PolarHBondContact O-N 3.16Å; E119-R122 WeakPolarHBondContact O-CB 3.4Å; E119-R122 PolarHBondContact O-N 2.87Å; E119-R122 IonicContact OE1-CZ 3.69Å; E119-R122 IonicContact OE1-NH1 3.77Å; E119-R122 PolarHBondContact OE1-NH1 2.94Å; E119-R122 IonicContact OE1-NH2 3.45Å; E119-R122 PolarHBondContact OE1-NH2 3.07Å; E119-R122 IonicContact OE2-NH1 2.65Å; E119-R122 PolarHBondContact OE2-NH1 3.3Å; E119-V123 PolarHBondContact O-N 3.46Å; E119-V123 VanDerWaalsContact O-N 3.13Å
120G98.3Very high97.9Very high0 Ų059 Ų590%029%0.285CS..Hα-helixtrans-63.9-40.6179.700000112.9E74 D117 R122 V123 F124E74-G120 VanDerWaalsContact CD-CA 3.46Å; E74-G120 WeakPolarHBondContact OE2-CA 3.13Å; D117-G120 PolarHBondContact OD1-N 2.9Å; D117-G120 WeakPolarHBondContact OD2-CA 3.49Å; G120-R122 PolarHBondContact O-N 3.15Å; G120-V123 WeakPolarHBondContact O-CB 3.49Å; G120-V123 PolarHBondContact O-N 3.43Å; G120-F124 PolarHBondContact O-N 3.14Å
121L98.1Very high98Very high3 Ų353.9 Ų53.92%0.01626%0.259CS..Hα-helixtrans-65.8-26.5174.5-82.9171.7000113.6W79 I106 V112 S115 D117 E119 Y125W79-L121 HydrophobicContact CB-CD1 4.38Å; W79-L121 HydrophobicContact CB-CD2 4.14Å; W79-L121 HydrophobicContact CB-CG 4.41Å; W79-L121 HydrophobicContact CD2-CD2 3.41Å; W79-L121 VanDerWaalsContact CD2-CD2 3.41Å; W79-L121 HydrophobicContact CD2-CG 3.83Å; W79-L121 HydrophobicContact CE3-CD2 3.72Å; W79-L121 HydrophobicContact CG-CD1 4.11Å; W79-L121 HydrophobicContact CG-CD2 3.61Å; W79-L121 HydrophobicContact CG-CG 3.7Å; W79-L121 HydrophobicContact CZ2-CD2 4.45Å; W79-L121 HydrophobicContact CZ3-CD2 4.35Å; I106-L121 HydrophobicContact CD1-CD2 3.76Å; V112-L121 HydrophobicContact CG1-CB 3.94Å; V112-L121 HydrophobicContact CG2-CB 4.48Å; S115-L121 VanDerWaalsContact CB-CD1 3.41Å; S115-L121 WeakPolarHBondContact OG-CD1 3.25Å; D117-L121 WeakPolarHBondContact O-CB 3.29Å; D117-L121 PolarHBondContact O-N 3.32Å; E119-L121 PolarHBondContact O-N 3.16Å; L121-Y125 WeakPolarHBondContact O-CB 3.16Å; L121-Y125 PolarHBondContact O-N 2.96Å
122R98.5Very high98.1Very high63 Ų6352.6 Ų52.624%0.23825%0.25CC..Hα-helixtrans-71.9-41.7175.1-172.4178.1-54.6109.94110.9V112 N113 P118 E119 G120 Y125 Y126V112-R122 HydrophobicContact CG1-CB 3.88Å; N113-R122 PolarHBondContact OD1-NH2 3.46Å; N113-R122 VanDerWaalsContact OD1-NH2 3.14Å; P118-R122 WeakPolarHBondContact O-CB 3.35Å; P118-R122 PolarHBondContact O-N 2.92Å; P118-R122 PolarHBondContact O-NH2 3.08Å; E119-R122 WeakPolarHBondContact O-CB 3.4Å; E119-R122 PolarHBondContact O-N 2.87Å; E119-R122 IonicContact OE1-CZ 3.69Å; E119-R122 IonicContact OE1-NH1 3.77Å; E119-R122 PolarHBondContact OE1-NH1 2.94Å; E119-R122 IonicContact OE1-NH2 3.45Å; E119-R122 PolarHBondContact OE1-NH2 3.07Å; E119-R122 IonicContact OE2-NH1 2.65Å; E119-R122 PolarHBondContact OE2-NH1 3.3Å; G120-R122 PolarHBondContact O-N 3.15Å; R122-Y125 PolarHBondContact O-N 2.87Å; R122-Y126 HydrophobicContact CG-CD2 3.73Å; R122-Y126 HydrophobicContact CG-CE2 3.45Å; R122-Y126 VanDerWaalsContact CG-CE2 3.45Å; R122-Y126 VanDerWaalsContact O-CD2 3.23Å; R122-Y126 WeakPolarHBondContact O-CD2 3.36Å; R122-Y126 PolarHBondContact O-N 2.83Å; R122-Y126 VanDerWaalsContact O-N 3.08Å
123V98.6Very high98.1Very high38 Ų3856.2 Ų56.223%0.2327%0.274CS..Hα-helixtrans-57.2-52.3172.5174.70000109.9S69 I71 E74 E119 G120 Y125 Y126 L127S69-V123 WeakPolarHBondContact O-CG1 3.09Å; I71-V123 HydrophobicContact CB-CG1 4.18Å; I71-V123 HydrophobicContact CD1-CG1 3.92Å; E74-V123 HydrophobicContact CG-CB 4.29Å; E74-V123 HydrophobicContact CG-CG1 4.27Å; E119-V123 PolarHBondContact O-N 3.46Å; E119-V123 VanDerWaalsContact O-N 3.13Å; G120-V123 WeakPolarHBondContact O-CB 3.49Å; G120-V123 PolarHBondContact O-N 3.43Å; V123-Y125 VanDerWaalsContact C-N 3.35Å; V123-Y125 PolarHBondContact O-N 3.21Å; V123-Y126 PolarHBondContact O-N 3.25Å; V123-L127 WeakPolarHBondContact O-CB 3.5Å; V123-L127 PolarHBondContact O-N 3.18Å
124F98.6Very high98.2Very high1 Ų153.7 Ų53.70%0.00426%0.261CS..Hα-helixtrans-56-46.4176.2179.7-94.6000112.7I71 W79 Q88 L90 F101 T103 I106 G120 Y126 V128I71-F124 HydrophobicContact CD1-CB 4.2Å; I71-F124 HydrophobicContact CD1-CD2 4.43Å; W79-F124 HydrophobicContact CH2-CB 3.6Å; W79-F124 AromaticContact CH2-CD2 3.71Å; W79-F124 HydrophobicContact CH2-CD2 3.71Å; W79-F124 AromaticContact CH2-CG 3.82Å; W79-F124 HydrophobicContact CH2-CG 3.82Å; W79-F124 HydrophobicContact CZ2-CB 4.23Å; W79-F124 HydrophobicContact CZ3-CB 4.02Å; W79-F124 HydrophobicContact CZ3-CD1 4.38Å; W79-F124 AromaticContact CZ3-CD2 3.51Å; W79-F124 HydrophobicContact CZ3-CD2 3.51Å; W79-F124 HydrophobicContact CZ3-CE2 4Å; W79-F124 AromaticContact CZ3-CG 3.72Å; W79-F124 HydrophobicContact CZ3-CG 3.72Å; Q88-F124 HydrophobicContact CB-CE1 4.44Å; Q88-F124 HydrophobicContact CB-CZ 4.17Å; L90-F124 HydrophobicContact CB-CE2 3.66Å; L90-F124 HydrophobicContact CB-CZ 4.45Å; L90-F124 HydrophobicContact CD2-CD2 3.99Å; L90-F124 HydrophobicContact CD2-CE2 3.86Å; L90-F124 HydrophobicContact CG-CE2 4.43Å; F101-F124 HydrophobicContact CB-CE2 4.49Å; F101-F124 HydrophobicContact CD2-CD2 4.21Å; F101-F124 HydrophobicContact CD2-CE2 4.45Å; T103-F124 HydrophobicContact CG2-CE1 3.81Å; T103-F124 HydrophobicContact CG2-CZ 3.96Å; I106-F124 HydrophobicContact CD1-CD1 3.66Å; I106-F124 HydrophobicContact CD1-CE1 3.86Å; G120-F124 PolarHBondContact O-N 3.14Å; F124-Y126 PolarHBondContact O-N 3.16Å; F124-V128 HydrophobicContact CD1-CG2 4.25Å; F124-V128 HydrophobicContact CD2-CG2 4.37Å; F124-V128 HydrophobicContact CE1-CG2 3.94Å; F124-V128 HydrophobicContact CE2-CG2 4.08Å; F124-V128 HydrophobicContact CG-CG2 4.45Å; F124-V128 HydrophobicContact CZ-CG2 3.86Å; F124-V128 WeakPolarHBondContact O-CB 3.47Å; F124-V128 VanDerWaalsContact O-CG2 3.25Å; F124-V128 WeakPolarHBondContact O-CG2 3.36Å; F124-V128 PolarHBondContact O-N 2.83Å
125Y98.4Very high98.3Very high50 Ų5046.3 Ų46.320%0.19623%0.226CC..Hα-helixtrans-61.9-40.7-177.8176.2-101.9000113.1I106 L109 V112 L121 R122 V123 Q129I106-Y125 HydrophobicContact CB-CD2 4.43Å; I106-Y125 HydrophobicContact CG2-CD2 3.72Å; I106-Y125 HydrophobicContact CG2-CE2 4.17Å; L109-Y125 HydrophobicContact CD2-CD1 3.57Å; L109-Y125 HydrophobicContact CD2-CE1 3.59Å; L109-Y125 HydrophobicContact CD2-CG 4.45Å; L109-Y125 HydrophobicContact CG-CD1 4.34Å; L109-Y125 HydrophobicContact CG-CE1 3.84Å; V112-Y125 HydrophobicContact CG2-CG 4.32Å; L121-Y125 WeakPolarHBondContact O-CB 3.16Å; L121-Y125 PolarHBondContact O-N 2.96Å; R122-Y125 PolarHBondContact O-N 2.87Å; V123-Y125 VanDerWaalsContact C-N 3.35Å; V123-Y125 PolarHBondContact O-N 3.21Å; Y125-Q129 WeakPolarHBondContact O-CG 3.23Å; Y125-Q129 PolarHBondContact O-N 3.39Å; Y125-Q129 PolarHBondContact O-NE2 2.9Å
126Y98.6Very high98.3Very high107 Ų10747.3 Ų47.342%0.4223%0.228SC..Hα-helixtrans-76.9-44.1177.9-72.8-58.3000112.2L109 R122 V123 F124 V128 Q129 D130L109-Y126 HydrophobicContact CD2-CE2 4.46Å; R122-Y126 HydrophobicContact CG-CD2 3.73Å; R122-Y126 HydrophobicContact CG-CE2 3.45Å; R122-Y126 VanDerWaalsContact CG-CE2 3.45Å; R122-Y126 VanDerWaalsContact O-CD2 3.23Å; R122-Y126 WeakPolarHBondContact O-CD2 3.36Å; R122-Y126 PolarHBondContact O-N 2.83Å; R122-Y126 VanDerWaalsContact O-N 3.08Å; V123-Y126 PolarHBondContact O-N 3.25Å; F124-Y126 PolarHBondContact O-N 3.16Å; Y126-V128 VanDerWaalsContact C-N 3.29Å; Y126-V128 PolarHBondContact O-N 3.47Å; Y126-Q129 WeakPolarHBondContact O-CA 3.29Å; Y126-Q129 WeakPolarHBondContact O-CB 3.49Å; Y126-Q129 PolarHBondContact O-N 2.95Å; Y126-D130 PolarHBondContact O-N 2.97Å
127L98.7Very high98.4Very high2 Ų242.4 Ų42.41%0.0122%0.215CC..Hα-helixtrans-55.6-46.2176.5174.864.3000111.4I65 I66 I71 L90 I92 V123 Q129 D130 L131I65-L127 HydrophobicContact CG2-CD1 3.75Å; I66-L127 HydrophobicContact CG1-CD1 4.48Å; I71-L127 HydrophobicContact CB-CD2 3.64Å; I71-L127 HydrophobicContact CD1-CD2 4.3Å; I71-L127 HydrophobicContact CG1-CD2 3.59Å; I71-L127 HydrophobicContact CG2-CD2 3.61Å; L90-L127 HydrophobicContact CD2-CD2 4.01Å; I92-L127 HydrophobicContact CD1-CD2 4.41Å; V123-L127 WeakPolarHBondContact O-CB 3.5Å; V123-L127 PolarHBondContact O-N 3.18Å; L127-Q129 PolarHBondContact O-N 2.59Å; L127-D130 PolarHBondContact O-N 3.17Å; L127-L131 HydrophobicContact CD1-CD1 4.13Å; L127-L131 HydrophobicContact CD1-CD2 4.46Å; L127-L131 HydrophobicContact CD1-CG 4.03Å; L127-L131 HydrophobicContact CD2-CD1 4.5Å; L127-L131 HydrophobicContact CG-CD1 3.92Å; L127-L131 HydrophobicContact CG-CG 4.27Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.3Å; L127-L131 PolarHBondContact O-N 3.23Å
128V98.4Very high98.4Very high5 Ų543 Ų433%0.0322%0.218CC..Hα-helixtrans-59.6-34.9178163.40000112.2Y11 F124 Y126 K132Y11-V128 HydrophobicContact CD2-CG1 4.47Å; Y11-V128 HydrophobicContact CD2-CG2 4Å; Y11-V128 HydrophobicContact CE1-CG1 4.28Å; Y11-V128 HydrophobicContact CE2-CB 4.23Å; Y11-V128 HydrophobicContact CE2-CG1 3.59Å; Y11-V128 HydrophobicContact CE2-CG2 3.55Å; Y11-V128 VanDerWaalsContact CZ-CG1 3.45Å; Y11-V128 WeakPolarHBondContact OH-CG1 3.31Å; F124-V128 HydrophobicContact CD1-CG2 4.25Å; F124-V128 HydrophobicContact CD2-CG2 4.37Å; F124-V128 HydrophobicContact CE1-CG2 3.94Å; F124-V128 HydrophobicContact CE2-CG2 4.08Å; F124-V128 HydrophobicContact CG-CG2 4.45Å; F124-V128 HydrophobicContact CZ-CG2 3.86Å; F124-V128 WeakPolarHBondContact O-CB 3.47Å; F124-V128 VanDerWaalsContact O-CG2 3.25Å; F124-V128 WeakPolarHBondContact O-CG2 3.36Å; F124-V128 PolarHBondContact O-N 2.83Å; Y126-V128 VanDerWaalsContact C-N 3.29Å; Y126-V128 PolarHBondContact O-N 3.47Å; V128-K132 HydrophobicContact CG1-CD 4.2Å; V128-K132 WeakPolarHBondContact O-CB 3.26Å; V128-K132 VanDerWaalsContact O-CG 3.27Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 3.28Å; V128-K132 VanDerWaalsContact O-N 3.08Å
129Q98.2Very high98.3Very high73 Ų7341.3 Ų41.334%0.34121%0.206SC..Hα-helixtrans-70.2-45176.1-77.3174.680.500111.7Y125 Y126 L127 L131 K132 C133Y125-Q129 WeakPolarHBondContact O-CG 3.23Å; Y125-Q129 PolarHBondContact O-N 3.39Å; Y125-Q129 PolarHBondContact O-NE2 2.9Å; Y126-Q129 WeakPolarHBondContact O-CA 3.29Å; Y126-Q129 WeakPolarHBondContact O-CB 3.49Å; Y126-Q129 PolarHBondContact O-N 2.95Å; L127-Q129 PolarHBondContact O-N 2.59Å; Q129-L131 VanDerWaalsContact C-N 3.34Å; Q129-L131 PolarHBondContact O-N 3.38Å; Q129-K132 PolarHBondContact O-N 3.01Å; Q129-C133 WeakPolarHBondContact O-CB 3.46Å; Q129-C133 PolarHBondContact O-N 2.65Å; Q129-C133 PolarHBondContact O-SG 3.33Å
130D98.6Very high98.3Very high89 Ų8936.5 Ų36.548%0.47619%0.188SC..Hα-helixtrans-60.9-44.3178.1-69.1-27.7000111.3I65 Y126 L127 K132 C133 L134I65-D130 HydrophobicContact CG2-CB 4.2Å; Y126-D130 PolarHBondContact O-N 2.97Å; L127-D130 PolarHBondContact O-N 3.17Å; D130-K132 PolarHBondContact O-N 3.44Å; D130-C133 WeakPolarHBondContact O-CB 3.17Å; D130-C133 PolarHBondContact O-N 3.14Å; D130-L134 PolarHBondContact O-N 3.28Å
131L98.6Very high98.3Very high0 Ų043.4 Ų43.40%022%0.224CC..Hα-helixtrans-60.3-45.6175.1-67.4174.6000112L9 F26 L62 L90 L127 Q129 L134 V135L9-L131 HydrophobicContact CD1-CD1 3.91Å; L9-L131 HydrophobicContact CD1-CD2 3.77Å; L9-L131 HydrophobicContact CD2-CD1 4.47Å; F26-L131 HydrophobicContact CE2-CB 4.22Å; F26-L131 HydrophobicContact CZ-CB 3.93Å; L62-L131 HydrophobicContact CD2-CD2 3.56Å; L90-L131 HydrophobicContact CD1-CD1 4.22Å; L127-L131 HydrophobicContact CD1-CD1 4.13Å; L127-L131 HydrophobicContact CD1-CD2 4.46Å; L127-L131 HydrophobicContact CD1-CG 4.03Å; L127-L131 HydrophobicContact CD2-CD1 4.5Å; L127-L131 HydrophobicContact CG-CD1 3.92Å; L127-L131 HydrophobicContact CG-CG 4.27Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.3Å; L127-L131 PolarHBondContact O-N 3.23Å; Q129-L131 VanDerWaalsContact C-N 3.34Å; Q129-L131 PolarHBondContact O-N 3.38Å; L131-L134 PolarHBondContact O-N 2.89Å; L131-V135 WeakPolarHBondContact O-CB 3.1Å; L131-V135 VanDerWaalsContact O-CG2 3.3Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 3.31Å
132K98.2Very high98.2Very high47 Ų4749.4 Ų49.420%0.20425%0.252CS..Hα-helixtrans-61.4-44.8176.2-80.1173.8-177.9171.90111.8Y11 F26 V128 Q129 D130 L134 V135 F136Y11-K132 VanDerWaalsContact OH-CE 3.29Å; Y11-K132 WeakPolarHBondContact OH-CE 3.21Å; Y11-K132 PolarHBondContact OH-NZ 2.69Å; F26-K132 HydrophobicContact CE1-CG 4.08Å; V128-K132 HydrophobicContact CG1-CD 4.2Å; V128-K132 WeakPolarHBondContact O-CB 3.26Å; V128-K132 VanDerWaalsContact O-CG 3.27Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 3.28Å; V128-K132 VanDerWaalsContact O-N 3.08Å; Q129-K132 PolarHBondContact O-N 3.01Å; D130-K132 PolarHBondContact O-N 3.44Å; K132-L134 VanDerWaalsContact C-N 3.33Å; K132-L134 PolarHBondContact O-N 3.47Å; K132-V135 PolarHBondContact O-N 2.75Å; K132-F136 HydrophobicContact CB-CD2 4.38Å; K132-F136 HydrophobicContact CB-CE2 4Å; K132-F136 HydrophobicContact CB-CZ 4.21Å; K132-F136 HydrophobicContact CG-CE2 4.46Å; K132-F136 HydrophobicContact CG-CZ 4.24Å; K132-F136 VanDerWaalsContact O-CB 3.27Å; K132-F136 WeakPolarHBondContact O-CB 3.47Å; K132-F136 WeakPolarHBondContact O-CD2 3.49Å; K132-F136 WeakPolarHBondContact O-CG 3.47Å; K132-F136 PolarHBondContact O-N 3.01Å
133C98.2Very high98.1Very high77 Ų7749 Ų4952%0.5225%0.252SS..Hα-helixtrans-57.8-46.2177.9-75.90000111.6Q129 D130 S137Q129-C133 WeakPolarHBondContact O-CB 3.46Å; Q129-C133 PolarHBondContact O-N 2.65Å; Q129-C133 PolarHBondContact O-SG 3.33Å; D130-C133 WeakPolarHBondContact O-CB 3.17Å; D130-C133 PolarHBondContact O-N 3.14Å; C133-S137 WeakPolarHBondContact O-CB 3.37Å; C133-S137 PolarHBondContact O-N 2.99Å; C133-S137 VanDerWaalsContact O-N 3.1Å; C133-S137 PolarHBondContact O-OG 2.86Å
134L98.4Very high98Very high40 Ų4056.2 Ų56.221%0.20928%0.281CS..Hα-helixtrans-62.4-50.9176.3179.359.4000111.6L62 I65 D130 L131 K132 F136 S137 L138L62-L134 HydrophobicContact CD2-CD2 3.61Å; L62-L134 HydrophobicContact CG-CD2 3.77Å; I65-L134 HydrophobicContact CD1-CD2 4.35Å; D130-L134 PolarHBondContact O-N 3.28Å; L131-L134 PolarHBondContact O-N 2.89Å; K132-L134 VanDerWaalsContact C-N 3.33Å; K132-L134 PolarHBondContact O-N 3.47Å; L134-F136 PolarHBondContact O-N 2.89Å; L134-S137 WeakPolarHBondContact O-CB 3.39Å; L134-S137 PolarHBondContact O-N 3.23Å; L134-L138 HydrophobicContact CD1-CD1 4.15Å; L134-L138 HydrophobicContact CD1-CG 4.29Å; L134-L138 HydrophobicContact CG-CD1 4.07Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.01Å
135V98.5Very high97.6Very high0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-62.6-44.8-178171.10000111.7F26 F28 Y36 L131 K132 S137 L138 I139F26-V135 HydrophobicContact CB-CG1 4.1Å; F26-V135 HydrophobicContact CD1-CB 4.34Å; F26-V135 HydrophobicContact CD1-CG1 3.98Å; F26-V135 HydrophobicContact CD1-CG2 4.19Å; F26-V135 HydrophobicContact CD2-CG2 3.74Å; F26-V135 HydrophobicContact CE1-CG2 4.31Å; F26-V135 HydrophobicContact CE2-CG2 3.87Å; F26-V135 HydrophobicContact CG-CB 4.44Å; F26-V135 HydrophobicContact CG-CG1 4.03Å; F26-V135 HydrophobicContact CG-CG2 3.89Å; F26-V135 HydrophobicContact CZ-CG2 4.16Å; F28-V135 HydrophobicContact CE2-CG2 3.61Å; F28-V135 HydrophobicContact CZ-CG2 3.83Å; Y36-V135 HydrophobicContact CD2-CG1 3.68Å; Y36-V135 HydrophobicContact CE2-CG1 4.14Å; L131-V135 WeakPolarHBondContact O-CB 3.1Å; L131-V135 VanDerWaalsContact O-CG2 3.3Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 3.31Å; K132-V135 PolarHBondContact O-N 2.75Å; V135-S137 VanDerWaalsContact C-N 3.28Å; V135-S137 PolarHBondContact O-N 2.89Å; V135-L138 PolarHBondContact O-N 3Å; V135-I139 HydrophobicContact CG1-CG1 4.14Å; V135-I139 WeakPolarHBondContact O-CB 3.43Å; V135-I139 VanDerWaalsContact O-CG1 3.31Å; V135-I139 WeakPolarHBondContact O-CG1 3.28Å; V135-I139 PolarHBondContact O-N 3.1Å
136F97.9Very high97Very high44 Ų4464.6 Ų64.619%0.19332%0.32CS..Hα-helixtrans-63.3-36.3178.1-66.6-14.3000112L24 Y36 K132 L134 G140 P147 I148L24-F136 HydrophobicContact CD1-CE1 4.18Å; L24-F136 HydrophobicContact CD2-CE1 3.85Å; L24-F136 HydrophobicContact CD2-CZ 3.71Å; Y36-F136 HydrophobicContact CE2-CD1 4.3Å; Y36-F136 HydrophobicContact CE2-CE1 4.16Å; K132-F136 HydrophobicContact CB-CD2 4.38Å; K132-F136 HydrophobicContact CB-CE2 4Å; K132-F136 HydrophobicContact CB-CZ 4.21Å; K132-F136 HydrophobicContact CG-CE2 4.46Å; K132-F136 HydrophobicContact CG-CZ 4.24Å; K132-F136 VanDerWaalsContact O-CB 3.27Å; K132-F136 WeakPolarHBondContact O-CB 3.47Å; K132-F136 WeakPolarHBondContact O-CD2 3.49Å; K132-F136 WeakPolarHBondContact O-CG 3.47Å; K132-F136 PolarHBondContact O-N 3.01Å; L134-F136 PolarHBondContact O-N 2.89Å; F136-G140 WeakPolarHBondContact O-CA 3.28Å; F136-G140 PolarHBondContact O-N 2.76Å; F136-P147 HydrophobicContact CB-CB 4.22Å; F136-P147 HydrophobicContact CB-CG 3.73Å; F136-P147 HydrophobicContact CD1-CB 3.87Å; F136-P147 HydrophobicContact CD1-CG 4.19Å; F136-P147 HydrophobicContact CG-CB 4.2Å; F136-P147 HydrophobicContact CG-CG 3.99Å; F136-I148 HydrophobicContact CD2-CD1 4.49Å; F136-I148 HydrophobicContact CE2-CD1 4.01Å; F136-I148 HydrophobicContact CE2-CG1 4.38Å; F136-I148 HydrophobicContact CZ-CD1 4.4Å; F136-I148 HydrophobicContact CZ-CG1 4.32Å
137S98.1Very high96Very high66 Ų6660.7 Ų60.746%0.46231%0.307SS..Hα-helixtrans-65.7-47.3174.8-58.60000111.3C133 L134 V135 L141C133-S137 WeakPolarHBondContact O-CB 3.37Å; C133-S137 PolarHBondContact O-N 2.99Å; C133-S137 VanDerWaalsContact O-N 3.1Å; C133-S137 PolarHBondContact O-OG 2.86Å; L134-S137 WeakPolarHBondContact O-CB 3.39Å; L134-S137 PolarHBondContact O-N 3.23Å; V135-S137 VanDerWaalsContact C-N 3.28Å; V135-S137 PolarHBondContact O-N 2.89Å; S137-L141 VanDerWaalsContact O-CB 3.28Å; S137-L141 WeakPolarHBondContact O-CB 3.49Å; S137-L141 VanDerWaalsContact O-CG 3.28Å; S137-L141 WeakPolarHBondContact O-CG 3.08Å; S137-L141 PolarHBondContact O-N 3.21Å
138L98.2Very high94.9Very high43 Ų4367 Ų6723%0.22534%0.34CS..Hα-helixtrans-60.6-51.5178.1-69.9170.1000111.7F28 L34 V54 V58 L134 V135 H142F28-L138 HydrophobicContact CE1-CD1 4.39Å; F28-L138 HydrophobicContact CZ-CD1 4.21Å; L34-L138 HydrophobicContact CD2-CB 4.22Å; L34-L138 HydrophobicContact CD2-CD1 4.11Å; V54-L138 HydrophobicContact CG1-CD1 4.34Å; V58-L138 HydrophobicContact CG1-CD1 3.92Å; L134-L138 HydrophobicContact CD1-CD1 4.15Å; L134-L138 HydrophobicContact CD1-CG 4.29Å; L134-L138 HydrophobicContact CG-CD1 4.07Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.01Å; V135-L138 PolarHBondContact O-N 3Å; L138-H142 WeakPolarHBondContact O-CB 3.43Å; L138-H142 PolarHBondContact O-N 3.34Å
139I97.8Very high94.7Very high2 Ų270.1 Ų70.11%0.0136%0.355CS..Hα-helixtrans-66.4-45.8-178.7-65-61.4000111L34 Y36 K50 V135 F143 I145 P147L34-I139 HydrophobicContact CD2-CD1 3.96Å; L34-I139 HydrophobicContact CD2-CG1 4.4Å; L34-I139 HydrophobicContact CG-CD1 4.42Å; Y36-I139 HydrophobicContact CD1-CG1 4.46Å; Y36-I139 HydrophobicContact CD1-CG2 4.32Å; Y36-I139 HydrophobicContact CD2-CG1 3.91Å; Y36-I139 HydrophobicContact CE1-CG2 4.43Å; Y36-I139 HydrophobicContact CG-CD1 4.05Å; Y36-I139 HydrophobicContact CG-CG1 3.88Å; K50-I139 HydrophobicContact CB-CD1 4.15Å; V135-I139 HydrophobicContact CG1-CG1 4.14Å; V135-I139 WeakPolarHBondContact O-CB 3.43Å; V135-I139 VanDerWaalsContact O-CG1 3.31Å; V135-I139 WeakPolarHBondContact O-CG1 3.28Å; V135-I139 PolarHBondContact O-N 3.1Å; I139-F143 HydrophobicContact CD1-CD2 4.12Å; I139-F143 HydrophobicContact CD1-CE2 3.87Å; I139-F143 HydrophobicContact CG2-CD2 4.18Å; I139-F143 WeakPolarHBondContact O-CB 3.39Å; I139-F143 PolarHBondContact O-N 3.47Å; I139-I145 HydrophobicContact CG2-CD1 3.85Å; I139-I145 HydrophobicContact CG2-CG1 4.12Å; I139-P147 HydrophobicContact CG2-CB 4.28Å
140G96.9Very high94.5Very high16 Ų1669.9 Ų69.917%0.16536%0.356CS..Hα-helixtrans-63.2-47-177.700000112.6F136 K144 I145F136-G140 WeakPolarHBondContact O-CA 3.28Å; F136-G140 PolarHBondContact O-N 2.76Å; G140-K144 WeakPolarHBondContact O-CA 3.39Å; G140-K144 PolarHBondContact O-N 3.24Å; G140-I145 WeakPolarHBondContact CA-O 3.44Å; G140-I145 PolarHBondContact O-N 3.42Å
141L97.8Very high94.3Very high145 Ų14568.8 Ų68.876%0.75935%0.349SS*.Hα-helixtrans-71.8-42.8179.7-67.6171.6000112.3S137S137-L141 VanDerWaalsContact O-CB 3.28Å; S137-L141 WeakPolarHBondContact O-CB 3.49Å; S137-L141 VanDerWaalsContact O-CG 3.28Å; S137-L141 WeakPolarHBondContact O-CG 3.08Å; S137-L141 PolarHBondContact O-N 3.21Å
142H97.8Very high94.1Very high129 Ų12972.9 Ų72.960%0.59737%0.37SS*.Hα-helixtrans-70.7-44.8-175.8-171.776.5000112.2L138L138-H142 WeakPolarHBondContact O-CB 3.43Å; L138-H142 PolarHBondContact O-N 3.34Å
143F96.4Very high93.8Very high55 Ų5574.5 Ų74.524%0.24138%0.38CS..Hα-helixtrans-96.3-6.9-176.9-64.4-72.4000114.1K50 E51 A52 I139 I145K50-F143 HydrophobicContact CB-CD2 3.96Å; K50-F143 HydrophobicContact CB-CE2 3.57Å; K50-F143 HydrophobicContact CB-CZ 3.9Å; K50-F143 HydrophobicContact CD-CB 4.45Å; K50-F143 HydrophobicContact CD-CD1 3.72Å; K50-F143 HydrophobicContact CD-CD2 3.99Å; K50-F143 HydrophobicContact CD-CE1 3.84Å; K50-F143 HydrophobicContact CD-CE2 4.12Å; K50-F143 HydrophobicContact CD-CG 3.78Å; K50-F143 HydrophobicContact CD-CZ 4.03Å; K50-F143 HydrophobicContact CG-CD2 3.89Å; K50-F143 HydrophobicContact CG-CE2 4Å; K50-F143 HydrophobicContact CG-CG 4.16Å; K50-F143 HydrophobicContact CG-CZ 4.34Å; E51-F143 WeakPolarHBondContact O-CZ 3.27Å; A52-F143 HydrophobicContact CB-CE2 4.32Å; A52-F143 HydrophobicContact CB-CZ 4.15Å; I139-F143 HydrophobicContact CD1-CD2 4.12Å; I139-F143 HydrophobicContact CD1-CE2 3.87Å; I139-F143 HydrophobicContact CG2-CD2 4.18Å; I139-F143 WeakPolarHBondContact O-CB 3.39Å; I139-F143 PolarHBondContact O-N 3.47Å; F143-I145 VanDerWaalsContact C-N 3.29Å; F143-I145 HydrophobicContact CB-CD1 4.22Å; F143-I145 HydrophobicContact CB-CG1 4.06Å; F143-I145 HydrophobicContact CB-CG2 4.23Å; F143-I145 PolarHBondContact O-N 3.45Å
144K94.7Very high93.5Very high190 Ų19074.3 Ų74.383%0.82637%0.371SS*.THydrogen-bonded Turntrans55.943.2-176.5-55.8-178-179.7179.90112.5G140G140-K144 WeakPolarHBondContact O-CA 3.39Å; G140-K144 PolarHBondContact O-N 3.24Å
145I90.6Very high93.2Very high50 Ų5076.8 Ų76.826%0.25638%0.382SS..SBendtrans-120.2160.9179.165.5176000110.9I48 K50 I139 G140 F143 P147I48-I145 HydrophobicContact CG2-CD1 3.84Å; K50-I145 HydrophobicContact CG-CD1 4.16Å; I139-I145 HydrophobicContact CG2-CD1 3.85Å; I139-I145 HydrophobicContact CG2-CG1 4.12Å; G140-I145 WeakPolarHBondContact CA-O 3.44Å; G140-I145 PolarHBondContact O-N 3.42Å; F143-I145 VanDerWaalsContact C-N 3.29Å; F143-I145 HydrophobicContact CB-CD1 4.22Å; F143-I145 HydrophobicContact CB-CG1 4.06Å; F143-I145 HydrophobicContact CB-CG2 4.23Å; F143-I145 PolarHBondContact O-N 3.45Å; I145-P147 WeakPolarHBondContact O-CD 3.15Å
146K87.3Confident92.8Very high176 Ų17682.7 Ų82.777%0.76541%0.412SS*.  trans-75.9123.2160.2-70.4-177.8175.41800107.8I148K146-I148 PolarHBondContact O-N 2.95Å
147P76.5Confident92.3Very high25 Ų2585.9 Ų85.916%0.16243%0.43CS..  trans-78.812.9178.832.2-33.7000112.4Y36 N38 F136 I139 I145Y36-P147 PolarHBondContact OH-O 3.21Å; N38-P147 PolarHBondContact ND2-O 3.34Å; N38-P147 VanDerWaalsContact ND2-O 3.14Å; F136-P147 HydrophobicContact CB-CB 4.22Å; F136-P147 HydrophobicContact CB-CG 3.73Å; F136-P147 HydrophobicContact CD1-CB 3.87Å; F136-P147 HydrophobicContact CD1-CG 4.19Å; F136-P147 HydrophobicContact CG-CB 4.2Å; F136-P147 HydrophobicContact CG-CG 3.99Å; I139-P147 HydrophobicContact CG2-CB 4.28Å; I145-P147 WeakPolarHBondContact O-CD 3.15Å
148I75.9Confident91.8Very high134 Ų13487.7 Ų87.769%0.68743%0.427SS*.  trans-141.80176.2-58.1166.4000107.6F136 K146F136-I148 HydrophobicContact CD2-CD1 4.49Å; F136-I148 HydrophobicContact CE2-CD1 4.01Å; F136-I148 HydrophobicContact CE2-CG1 4.38Å; F136-I148 HydrophobicContact CZ-CD1 4.4Å; F136-I148 HydrophobicContact CZ-CG1 4.32Å; K146-I148 PolarHBondContact O-N 2.95Å

Retrieved 148 of 148 residues in 364.1 ms (Link to these results)

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