A0A077YX10_TRITR Loading...

Inosine:uridine preferring nucleoside hydrolase

AlphaFold DB , UniProt , Accession A0A077YX10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 351 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
1M36.1Very low44.4Very low236 Ų236143.6 Ų143.6100%1.16375%0.752SS**  085.70-79.1173.5170.200107.9N3M1-N3 PolarHBondContact O-N 2.84Å
2T34.2Very low48.4Very low131 Ų131144.4 Ų144.480%0.80475%0.745SS**  trans-78104.2169.4-4.40000105.8F4T2-F4 PolarHBondContact O-N 3.16Å
3N34Very low52.2Low143 Ų143133.8 Ų133.877%0.76569%0.691SS**  trans-58.6104.5167.8-83-15.1000106.8M1 L5M1-N3 PolarHBondContact O-N 2.84Å; N3-L5 PolarHBondContact O-N 2.8Å
4F38Very low55.5Low198 Ų198126 Ų12687%0.86865%0.651SS**  trans-62.286.1154-75.2-89.4000105.5T2 D6T2-F4 PolarHBondContact O-N 3.16Å; F4-D6 PolarHBondContact O-N 2.97Å
5L37.6Very low58.4Low146 Ų146117.6 Ų117.676%0.76461%0.608SS**  trans-50.1112.5155.1-82.2155.6000104.7N3 M7N3-L5 PolarHBondContact O-N 2.8Å; L5-M7 WeakPolarHBondContact O-CG 3.48Å; L5-M7 PolarHBondContact O-N 3.13Å
6D39.1Very low60.9Low125 Ų125110.3 Ų110.367%0.66857%0.57SS**  trans-49.992.8172.5176.57.4000108.3F4 S8F4-D6 PolarHBondContact O-N 2.97Å; D6-S8 PolarHBondContact O-N 3.07Å; D6-S8 VanDerWaalsContact O-N 3.08Å
7M34.3Very low63.1Low183 Ų183103.8 Ų103.890%0.90154%0.536SS*.THydrogen-bonded Turntrans-76.111.5-169.4-94.9-95.7-151.300112.5L5L5-M7 WeakPolarHBondContact O-CG 3.48Å; L5-M7 PolarHBondContact O-N 3.13Å
8S43.7Very low65.1Low82 Ų8298 Ų9857%0.57351%0.506SS*.THydrogen-bonded Turntrans-158.845.9170.362.40000115D6 K10D6-S8 PolarHBondContact O-N 3.07Å; D6-S8 VanDerWaalsContact O-N 3.08Å; S8-K10 PolarHBondContact O-N 2.86Å
9A49.3Very low66.9Low79 Ų7992.8 Ų92.865%0.65348%0.48SS*.  trans-64.177.8157.300000108.9K11A9-K11 PolarHBondContact O-N 2.86Å
10K63.7Low68.5Low89 Ų8988.3 Ų88.339%0.38746%0.456SS..PPolyproline II helixtrans-57137177.1-71.6-174.4-177.5-173.40107.8S8 K12 N37 D265S8-K10 PolarHBondContact O-N 2.86Å; K10-K12 PolarHBondContact O-N 3.21Å; K10-N37 VanDerWaalsContact CB-ND2 3.33Å; K10-N37 WeakPolarHBondContact CB-ND2 3.45Å; K10-N37 WeakPolarHBondContact CD-ND2 3.14Å; K10-D265 IonicContact NZ-OD1 2.7Å; K10-D265 PolarHBondContact NZ-OD1 2.96Å; K10-D265 IonicContact NZ-OD2 3.89Å; K10-D265 PolarHBondContact NZ-OD2 3.41Å
11K78.6Confident69.9Low168 Ų16884 Ų8473%0.7343%0.434SS*.PPolyproline II helixtrans-62.4120.4-173.1-174.5172.7-175.6168.80110A9A9-K11 PolarHBondContact O-N 2.86Å
12K92.8Very high72.9Confident153 Ų15372.8 Ų72.867%0.66538%0.379SS*.PPolyproline II helixtrans-58.6140.3174.2-68.9-170175.9-173.30111.3K10 N37K10-K12 PolarHBondContact O-N 3.21Å; K12-N37 CarbonylContact C-O 3.36Å; K12-N37 VanDerWaalsContact CA-O 3.29Å; K12-N37 WeakPolarHBondContact CA-O 3.19Å
13V97.3Very high75.8Confident7 Ų766.7 Ų66.74%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-108.5117.1178.8-178.10000109.1L15 N37 R39 T133 I263V13-L15 PolarHBondContact O-N 3.47Å; V13-N37 PolarHBondContact N-O 3.37Å; V13-R39 PolarHBondContact O-N 2.99Å; V13-T133 HydrophobicContact CG1-CG2 4.19Å; V13-I263 HydrophobicContact CG1-CG2 3.99Å
14D98.3Very high78.8Confident24 Ų2460.9 Ų60.913%0.12831%0.311CS..EExtended strand (participates in β ladder)trans-77.2116.5165.2-80.50.8000109R39 L41 R128 L132 T133D14-R39 IonicContact OD1-CZ 2.69Å; D14-R39 IonicContact OD1-NE 3.66Å; D14-R39 PolarHBondContact OD1-NE 3.33Å; D14-R39 IonicContact OD1-NH2 3.16Å; D14-R39 PolarHBondContact OD1-NH2 3.26Å; D14-R39 IonicContact OD2-CZ 3.19Å; D14-R39 IonicContact OD2-NE 3.27Å; D14-R39 IonicContact OD2-NH2 3.35Å; D14-R39 PolarHBondContact OD2-NH2 3.2Å; D14-L41 HydrophobicContact CB-CD1 3.91Å; D14-R128 IonicContact OD2-NH1 2.94Å; D14-R128 PolarHBondContact OD2-NH1 3.2Å; D14-L132 HydrophobicContact CB-CD2 3.62Å; D14-T133 PolarHBondContact O-N 3.43Å
15L98.7Very high81.7Confident0 Ų051.5 Ų51.50%027%0.269CS..EExtended strand (participates in β ladder)trans-120.8138-168-173.866.8000112.1V13 I17 A32 V38 R39 L40 L41 T133 L135 M260 I263V13-L15 PolarHBondContact O-N 3.47Å; L15-I17 HydrophobicContact CD2-CD1 3.88Å; L15-I17 HydrophobicContact CD2-CG1 3.74Å; L15-I17 HydrophobicContact CG-CG1 3.97Å; L15-A32 HydrophobicContact CD2-CB 4.4Å; L15-V38 HydrophobicContact CB-CG1 4.1Å; L15-V38 HydrophobicContact CD2-CG1 3.74Å; L15-R39 PolarHBondContact N-O 3.19Å; L15-L40 HydrophobicContact CD2-CD1 4.4Å; L15-L40 HydrophobicContact CG-CD1 4.39Å; L15-L41 PolarHBondContact O-N 2.85Å; L15-T133 WeakPolarHBondContact CA-O 3.23Å; L15-T133 HydrophobicContact CD1-CG2 3.98Å; L15-L135 HydrophobicContact CD1-CB 4.06Å; L15-M260 HydrophobicContact CD2-CE 3.67Å; L15-M260 HydrophobicContact CD2-SD 3.44Å; L15-M260 WeakPolarHBondContact CD2-SD 3.2Å; L15-I263 HydrophobicContact CD1-CD1 4.46Å; L15-I263 HydrophobicContact CD1-CG2 4.42Å
16I98.9Very high84.6Confident0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-113.6137.5158.1-58.8170.6000107A42 L121 L124 L132 T133 I134 L135I16-A42 WeakPolarHBondContact CA-O 3.25Å; I16-A42 HydrophobicContact CG1-CB 4.42Å; I16-A42 HydrophobicContact CG2-CB 4.32Å; I16-L121 HydrophobicContact CD1-CD2 4.48Å; I16-L121 HydrophobicContact CG2-CD2 3.91Å; I16-L124 HydrophobicContact CD1-CB 3.79Å; I16-L124 HydrophobicContact CD1-CD1 3.68Å; I16-L124 HydrophobicContact CD1-CG 4.38Å; I16-L124 HydrophobicContact CG1-CD1 4.34Å; I16-L132 HydrophobicContact CD1-CD1 3.81Å; I16-T133 PolarHBondContact N-O 3.12Å; I16-I134 HydrophobicContact CB-CG1 4.4Å; I16-I134 CarbonylContact O-C 3.55Å; I16-I134 WeakPolarHBondContact O-CA 3.42Å; I16-L135 PolarHBondContact O-N 3.25Å
17I98.9Very high87.3Confident0 Ų038.6 Ų38.60%020%0.202CC..EExtended strand (participates in β ladder)trans-109.4127.8173.1-62.9174.5000108.3L15 A19 L29 A32 L40 A42 V43 T44 L135 Q137 M260L15-I17 HydrophobicContact CD2-CD1 3.88Å; L15-I17 HydrophobicContact CD2-CG1 3.74Å; L15-I17 HydrophobicContact CG-CG1 3.97Å; I17-A19 HydrophobicContact CG2-CB 3.97Å; I17-L29 HydrophobicContact CB-CD2 4.5Å; I17-L29 HydrophobicContact CD1-CD2 3.88Å; I17-L29 HydrophobicContact CG2-CD2 4.36Å; I17-A32 HydrophobicContact CD1-CB 3.64Å; I17-L40 HydrophobicContact CB-CD1 4.31Å; I17-L40 HydrophobicContact CD1-CD1 3.73Å; I17-L40 HydrophobicContact CD1-CD2 4.36Å; I17-L40 HydrophobicContact CG1-CD1 3.73Å; I17-A42 PolarHBondContact N-O 2.79Å; I17-A42 VanDerWaalsContact N-O 3.14Å; I17-V43 CarbonylContact O-C 3.51Å; I17-V43 VanDerWaalsContact O-CA 3.27Å; I17-V43 WeakPolarHBondContact O-CA 3.49Å; I17-T44 PolarHBondContact O-N 3.5Å; I17-T44 PolarHBondContact O-OG1 2.91Å; I17-L135 CarbonylContact C-O 3.59Å; I17-L135 WeakPolarHBondContact CA-O 3.49Å; I17-L135 HydrophobicContact CG1-CB 4.22Å; I17-L135 HydrophobicContact CG1-CD2 4.34Å; I17-Q137 HydrophobicContact CG2-CG 4.08Å; I17-M260 HydrophobicContact CD1-SD 4.31Å
18D98.9Very high90.3Very high0 Ų029.9 Ų29.90%016%0.159CC..EExtended strand (participates in β ladder)trans-102110.1166.9-169.660.8000108.3T44 L135 Q137 A138 N142 I143D18-T44 CarbonylContact C-O 3.14Å; D18-T44 WeakPolarHBondContact CA-O 3.28Å; D18-T44 VanDerWaalsContact CA-OG1 3.3Å; D18-T44 WeakPolarHBondContact CA-OG1 3.41Å; D18-T44 VanDerWaalsContact CB-OG1 3.31Å; D18-T44 WeakPolarHBondContact CB-OG1 3.19Å; D18-T44 WeakPolarHBondContact OD1-CB 3.47Å; D18-T44 PolarHBondContact OD1-OG1 3.06Å; D18-L135 PolarHBondContact N-O 3.11Å; D18-Q137 WeakPolarHBondContact O-CG 3.4Å; D18-Q137 PolarHBondContact O-N 3.32Å; D18-A138 PolarHBondContact O-N 3.32Å; D18-N142 WeakPolarHBondContact OD1-CB 3.33Å; D18-N142 PolarHBondContact OD1-ND2 2.89Å; D18-I143 HydrophobicContact CB-CD1 4.05Å
19A98.9Very high92.9Very high0 Ų026 Ų260%013%0.131CC..EExtended strand (participates in β ladder)trans-128156.8-164.800000112.4I17 D25 V43 T44 V45 C46 Q137 A138I17-A19 HydrophobicContact CG2-CB 3.97Å; A19-D25 VanDerWaalsContact CB-OD1 3.28Å; A19-D25 WeakPolarHBondContact CB-OD1 3.5Å; A19-V43 HydrophobicContact CB-CG1 4.22Å; A19-T44 PolarHBondContact N-O 3.05Å; A19-V45 CarbonylContact O-C 3.31Å; A19-V45 VanDerWaalsContact O-CA 3.27Å; A19-V45 WeakPolarHBondContact O-CA 3.49Å; A19-C46 PolarHBondContact O-N 3.41Å; A19-Q137 HydrophobicContact CB-CG 4.24Å; A19-A138 VanDerWaalsContact C-CB 3.46Å
20D98.7Very high95.2Very high1 Ų122.2 Ų22.21%0.00510%0.1CC..  trans-120.556.4171.363.4-40.8000110.5A22 D25 G48 N49 Q55 A138D20-A22 PolarHBondContact O-N 2.81Å; D20-D25 PolarHBondContact N-OD1 2.92Å; D20-G48 VanDerWaalsContact OD2-CA 3.23Å; D20-G48 WeakPolarHBondContact OD2-CA 3.25Å; D20-N49 PolarHBondContact O-ND2 3.46Å; D20-N49 PolarHBondContact OD1-ND2 2.9Å; D20-N49 VanDerWaalsContact OD2-CG 3.24Å; D20-N49 PolarHBondContact OD2-N 3.27Å; D20-N49 PolarHBondContact OD2-ND2 3.44Å; D20-N49 VanDerWaalsContact OD2-ND2 3.11Å; D20-Q55 PolarHBondContact O-OE1 3.22Å; D20-A138 HydrophobicContact CB-CB 3.8Å; D20-A138 WeakPolarHBondContact OD1-CA 3.23Å
21T98.7Very high96.8Very high0 Ų018 Ų180%08%0.082CC..  trans-47.5103.8-150-53.50000115.9D25 V26 L29 N58 T59T21-D25 VanDerWaalsContact CA-OD2 3.25Å; T21-D25 WeakPolarHBondContact CA-OD2 3.29Å; T21-D25 HydrophobicContact CG2-CB 3.92Å; T21-V26 HydrophobicContact CG2-CG2 3.87Å; T21-L29 HydrophobicContact CG2-CD1 3.92Å; T21-N58 HydrophobicContact CG2-CB 3.68Å; T21-N58 WeakPolarHBondContact O-CB 3.41Å; T21-N58 PolarHBondContact O-ND2 2.84Å; T21-T59 WeakPolarHBondContact CB-OG1 3.48Å; T21-T59 PolarHBondContact OG1-OG1 3.46Å
22A98.2Very high97.7Very high0 Ų010.1 Ų10.10%05%0.048CC..SBendtrans-123.7-165.1161.100000111D20 D24 D25 V26 N49 H93 G97D20-A22 PolarHBondContact O-N 2.81Å; A22-D24 VanDerWaalsContact C-N 3.31Å; A22-D24 PolarHBondContact O-N 2.81Å; A22-D25 PolarHBondContact N-OD2 3.46Å; A22-D25 WeakPolarHBondContact O-CB 3Å; A22-D25 PolarHBondContact O-N 2.82Å; A22-D25 VanDerWaalsContact O-N 3.11Å; A22-V26 WeakPolarHBondContact O-CG2 3.35Å; A22-V26 PolarHBondContact O-N 2.91Å; A22-N49 HydrophobicContact CB-CB 3.44Å; A22-N49 VanDerWaalsContact CB-CB 3.44Å; A22-H93 HydrophobicContact CB-CB 3.83Å; A22-G97 CarbonylContact C-O 3.58Å; A22-G97 VanDerWaalsContact C-O 3.31Å; A22-G97 WeakPolarHBondContact CA-O 3.13Å; A22-G97 WeakPolarHBondContact CB-O 3.35Å
23G95.7Very high97.9Very high2 Ų23.6 Ų3.62%0.0212%0.021CC..Hα-helixtrans-63.9-28.5-162.800000116.7H93 G97G23-H93 PolarHBondContact N-ND1 3.49Å; G23-G97 PolarHBondContact N-O 2.92Å
24D95.8Very high97.8Very high22 Ų225.8 Ų5.812%0.1183%0.032CC..Hα-helixtrans-71.6-45.5170.546.8-12.3000112.4A22 V26 A27 S28 H93 S255A22-D24 VanDerWaalsContact C-N 3.31Å; A22-D24 PolarHBondContact O-N 2.81Å; D24-V26 VanDerWaalsContact C-N 3.26Å; D24-V26 PolarHBondContact O-N 3.02Å; D24-A27 PolarHBondContact O-N 2.84Å; D24-S28 PolarHBondContact O-N 2.85Å; D24-H93 IonicContact OD1-CE1 3.93Å; D24-H93 PolarHBondContact OD1-CE1 3.25Å; D24-H93 IonicContact OD1-ND1 2.76Å; D24-H93 IonicContact OD1-NE2 3.18Å; D24-H93 IonicContact OD2-CE1 2.69Å; D24-S255 PolarHBondContact OD2-OG 3.5Å
25D98.7Very high97.5Very high0 Ų05.9 Ų5.90%03%0.032CC..Hα-helixtrans-59.1-39.3173.7-64.5-97000111.8A19 D20 T21 A22 A27 S28 L29 N49 Q137 D256A19-D25 VanDerWaalsContact CB-OD1 3.28Å; A19-D25 WeakPolarHBondContact CB-OD1 3.5Å; D20-D25 PolarHBondContact N-OD1 2.92Å; T21-D25 VanDerWaalsContact CA-OD2 3.25Å; T21-D25 WeakPolarHBondContact CA-OD2 3.29Å; T21-D25 HydrophobicContact CG2-CB 3.92Å; A22-D25 PolarHBondContact N-OD2 3.46Å; A22-D25 WeakPolarHBondContact O-CB 3Å; A22-D25 PolarHBondContact O-N 2.82Å; A22-D25 VanDerWaalsContact O-N 3.11Å; D25-A27 VanDerWaalsContact C-N 3.3Å; D25-A27 PolarHBondContact O-N 2.88Å; D25-S28 CarbonylContact O-C 3.58Å; D25-S28 WeakPolarHBondContact O-CA 3.26Å; D25-S28 WeakPolarHBondContact O-CB 3.39Å; D25-S28 PolarHBondContact O-N 2.75Å; D25-S28 VanDerWaalsContact O-N 3.13Å; D25-L29 WeakPolarHBondContact O-CB 3.48Å; D25-L29 WeakPolarHBondContact O-CG 3.39Å; D25-L29 PolarHBondContact O-N 3.37Å; D25-N49 PolarHBondContact OD2-ND2 3.4Å; D25-Q137 WeakPolarHBondContact OD1-CG 3.4Å; D25-Q137 PolarHBondContact OD1-NE2 3.27Å; D25-D256 WeakPolarHBondContact CA-OD2 3.3Å; D25-D256 PolarHBondContact N-OD2 3.46Å
26V98.5Very high97.2Very high0 Ų09.7 Ų9.70%06%0.064CC..Hα-helixtrans-57.8-45.4178.9168.80000110.4T21 A22 D24 S28 L29 V30 T62 M98 F231 V235T21-V26 HydrophobicContact CG2-CG2 3.87Å; A22-V26 WeakPolarHBondContact O-CG2 3.35Å; A22-V26 PolarHBondContact O-N 2.91Å; D24-V26 VanDerWaalsContact C-N 3.26Å; D24-V26 PolarHBondContact O-N 3.02Å; V26-S28 VanDerWaalsContact C-N 3.32Å; V26-S28 PolarHBondContact O-N 3.12Å; V26-L29 PolarHBondContact O-N 3.34Å; V26-V30 HydrophobicContact CG1-CG2 4.37Å; V26-V30 VanDerWaalsContact O-CG2 3.27Å; V26-V30 WeakPolarHBondContact O-CG2 3.44Å; V26-V30 PolarHBondContact O-N 3.12Å; V26-T62 HydrophobicContact CG1-CG2 4.08Å; V26-T62 WeakPolarHBondContact CG2-OG1 3.32Å; V26-M98 HydrophobicContact CG2-CG 4.26Å; V26-M98 HydrophobicContact CG2-SD 4.15Å; V26-F231 HydrophobicContact CG1-CD1 4.31Å; V26-F231 HydrophobicContact CG1-CE1 3.49Å; V26-F231 VanDerWaalsContact CG1-CE1 3.49Å; V26-F231 HydrophobicContact CG1-CZ 3.78Å; V26-V235 HydrophobicContact CB-CG1 3.85Å; V26-V235 HydrophobicContact CG1-CB 4.48Å; V26-V235 HydrophobicContact CG1-CG1 3.98Å; V26-V235 HydrophobicContact CG1-CG2 4.15Å; V26-V235 HydrophobicContact CG2-CG1 4.04Å
27A96.1Very high97Very high1 Ų111 Ų111%0.0087%0.071CC..Hα-helixtrans-62.7-40177.100000112D24 D25 L31 W213D24-A27 PolarHBondContact O-N 2.84Å; D25-A27 VanDerWaalsContact C-N 3.3Å; D25-A27 PolarHBondContact O-N 2.88Å; A27-L31 WeakPolarHBondContact O-CB 3.44Å; A27-L31 PolarHBondContact O-N 3.04Å; A27-W213 HydrophobicContact CB-CH2 3.71Å; A27-W213 HydrophobicContact CB-CZ2 4.29Å
28S97.9Very high96.9Very high0 Ų011.9 Ų11.90%08%0.076CC..Hα-helixtrans-61.5-47.6173.8179.80000112.3D24 D25 V26 V30 L31 A32 Q137D24-S28 PolarHBondContact O-N 2.85Å; D25-S28 CarbonylContact O-C 3.58Å; D25-S28 WeakPolarHBondContact O-CA 3.26Å; D25-S28 WeakPolarHBondContact O-CB 3.39Å; D25-S28 PolarHBondContact O-N 2.75Å; D25-S28 VanDerWaalsContact O-N 3.13Å; V26-S28 VanDerWaalsContact C-N 3.32Å; V26-S28 PolarHBondContact O-N 3.12Å; S28-V30 PolarHBondContact O-N 3.5Å; S28-L31 PolarHBondContact O-N 3.48Å; S28-A32 WeakPolarHBondContact O-CB 3.32Å; S28-A32 PolarHBondContact O-N 3.21Å; S28-Q137 PolarHBondContact OG-OE1 3.05Å
29L98.6Very high96.8Very high0 Ų017.7 Ų17.70%010%0.098CC..Hα-helixtrans-62.9-42.1177.9-72.1173000112.3I17 T21 D25 V26 A32 C33 L40 V43 T59 T62I17-L29 HydrophobicContact CB-CD2 4.5Å; I17-L29 HydrophobicContact CD1-CD2 3.88Å; I17-L29 HydrophobicContact CG2-CD2 4.36Å; T21-L29 HydrophobicContact CG2-CD1 3.92Å; D25-L29 WeakPolarHBondContact O-CB 3.48Å; D25-L29 WeakPolarHBondContact O-CG 3.39Å; D25-L29 PolarHBondContact O-N 3.37Å; V26-L29 PolarHBondContact O-N 3.34Å; L29-A32 PolarHBondContact O-N 3.38Å; L29-C33 WeakPolarHBondContact O-CB 3.31Å; L29-C33 PolarHBondContact O-N 3.23Å; L29-C33 PolarHBondContact O-SG 3Å; L29-L40 HydrophobicContact CD2-CD2 4.36Å; L29-V43 HydrophobicContact CD2-CG1 4.3Å; L29-V43 HydrophobicContact CD2-CG2 3.64Å; L29-T59 HydrophobicContact CD1-CG2 4.19Å; L29-T62 HydrophobicContact CB-CG2 3.73Å; L29-T62 HydrophobicContact CD1-CG2 4.18Å
30V98.1Very high96.8Very high0 Ų018.2 Ų18.20%010%0.101CC..Hα-helixtrans-59.7-48.4174.9169.80000110.1V26 S28 A32 C33 L34 T62 L228 F231 I232 F322V26-V30 HydrophobicContact CG1-CG2 4.37Å; V26-V30 VanDerWaalsContact O-CG2 3.27Å; V26-V30 WeakPolarHBondContact O-CG2 3.44Å; V26-V30 PolarHBondContact O-N 3.12Å; S28-V30 PolarHBondContact O-N 3.5Å; V30-A32 PolarHBondContact O-N 2.82Å; V30-C33 PolarHBondContact O-N 3.02Å; V30-L34 HydrophobicContact CG1-CD1 3.81Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 VanDerWaalsContact O-CG 3.3Å; V30-L34 WeakPolarHBondContact O-CG 3.49Å; V30-L34 PolarHBondContact O-N 3.21Å; V30-L34 VanDerWaalsContact O-N 3.14Å; V30-T62 HydrophobicContact CG2-CG2 4.05Å; V30-L228 HydrophobicContact CG1-CB 4.37Å; V30-L228 HydrophobicContact CG1-CD1 4.13Å; V30-L228 HydrophobicContact CG2-CD2 4.32Å; V30-F231 HydrophobicContact CG2-CD1 4.4Å; V30-F231 HydrophobicContact CG2-CE1 4.38Å; V30-I232 HydrophobicContact CB-CD1 4.3Å; V30-I232 HydrophobicContact CG1-CD1 3.99Å; V30-I232 HydrophobicContact CG2-CD1 4.49Å; V30-F322 HydrophobicContact CG1-CE1 4.24Å
31L95.8Very high96.8Very high1 Ų119.9 Ų19.91%0.00511%0.109CC..Hα-helixtrans-61-44.9177.7178.758.1000111.8A27 S28 C33 L34 H35 M260 A261 N319A27-L31 WeakPolarHBondContact O-CB 3.44Å; A27-L31 PolarHBondContact O-N 3.04Å; S28-L31 PolarHBondContact O-N 3.48Å; L31-C33 VanDerWaalsContact C-N 3.27Å; L31-C33 PolarHBondContact O-N 2.97Å; L31-L34 PolarHBondContact O-N 3.18Å; L31-H35 HydrophobicContact CD1-CB 4.24Å; L31-H35 VanDerWaalsContact O-CB 3.23Å; L31-H35 WeakPolarHBondContact O-CB 3.4Å; L31-H35 PolarHBondContact O-N 3.28Å; L31-M260 HydrophobicContact CB-CG 4.08Å; L31-M260 HydrophobicContact CD2-CB 4.02Å; L31-M260 HydrophobicContact CD2-CG 3.88Å; L31-M260 HydrophobicContact CG-CG 3.87Å; L31-A261 HydrophobicContact CD2-CB 4Å; L31-N319 HydrophobicContact CD1-CB 3.78Å; L31-N319 WeakPolarHBondContact CD1-O 3.2Å
32A97.7Very high96.8Very high1 Ų119.9 Ų19.91%0.00811%0.11CC..Hα-helixtrans-59.8-35.9177.200000113.2L15 I17 S28 L29 V30 V38 L40 M260L15-A32 HydrophobicContact CD2-CB 4.4Å; I17-A32 HydrophobicContact CD1-CB 3.64Å; S28-A32 WeakPolarHBondContact O-CB 3.32Å; S28-A32 PolarHBondContact O-N 3.21Å; L29-A32 PolarHBondContact O-N 3.38Å; V30-A32 PolarHBondContact O-N 2.82Å; A32-V38 HydrophobicContact CB-CG1 4.36Å; A32-V38 WeakPolarHBondContact O-CG1 3.38Å; A32-L40 HydrophobicContact CB-CD2 4.13Å; A32-M260 HydrophobicContact CB-CG 4.18Å; A32-M260 HydrophobicContact CB-SD 3.55Å; A32-M260 VanDerWaalsContact CB-SD 3.55Å
33C97.4Very high96.8Very high17 Ų1719.9 Ų19.912%0.11511%0.11CC..Hα-helixtrans-76.3-29.8-179.7-72.90000113.4L29 V30 L31 C66 R71L29-C33 WeakPolarHBondContact O-CB 3.31Å; L29-C33 PolarHBondContact O-N 3.23Å; L29-C33 PolarHBondContact O-SG 3Å; V30-C33 PolarHBondContact O-N 3.02Å; L31-C33 VanDerWaalsContact C-N 3.27Å; L31-C33 PolarHBondContact O-N 2.97Å; C33-C66 HydrophobicContact CB-CB 3.66Å; C33-R71 PolarHBondContact O-NH2 3.15Å
34L94.3Very high97Very high52 Ų5219.8 Ų19.827%0.27211%0.109SC..Hα-helixtrans-96.2-29.6-174.4-64.9179.2000113.5V30 L31 A36 L228 F322V30-L34 HydrophobicContact CG1-CD1 3.81Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 VanDerWaalsContact O-CG 3.3Å; V30-L34 WeakPolarHBondContact O-CG 3.49Å; V30-L34 PolarHBondContact O-N 3.21Å; V30-L34 VanDerWaalsContact O-N 3.14Å; L31-L34 PolarHBondContact O-N 3.18Å; L34-A36 PolarHBondContact O-N 3.42Å; L34-L228 HydrophobicContact CD1-CD1 3.75Å; L34-L228 HydrophobicContact CD2-CD1 4.01Å; L34-L228 HydrophobicContact CG-CD1 4.24Å; L34-F322 HydrophobicContact CD1-CD1 3.76Å; L34-F322 HydrophobicContact CD1-CE1 4.19Å
35H93.5Very high97.1Very high27 Ų2718.8 Ų18.813%0.12510%0.103CC..  trans-73.2124.4-169.1-164.9-82.2000112.6L31 N37 V38 A264 N319L31-H35 HydrophobicContact CD1-CB 4.24Å; L31-H35 VanDerWaalsContact O-CB 3.23Å; L31-H35 WeakPolarHBondContact O-CB 3.4Å; L31-H35 PolarHBondContact O-N 3.28Å; H35-N37 PolarHBondContact CE1-ND2 2.66Å; H35-N37 PolarHBondContact ND1-N 3.47Å; H35-N37 PolarHBondContact O-N 3.4Å; H35-N37 VanDerWaalsContact O-N 3.08Å; H35-V38 HydrophobicContact CB-CB 4.37Å; H35-V38 HydrophobicContact CB-CG2 4.09Å; H35-V38 PolarHBondContact O-N 2.91Å; H35-A264 HydrophobicContact CB-CB 4.49Å; H35-A264 PolarHBondContact CE1-O 2.83Å; H35-N319 PolarHBondContact NE2-OD1 3.18Å
36A92.9Very high97.1Very high80 Ų8018.8 Ų18.866%0.66110%0.103SC*.THydrogen-bonded Turntrans-61.1-25.3-172.400000115.2L34 V38L34-A36 PolarHBondContact O-N 3.42Å; A36-V38 VanDerWaalsContact C-N 3.34Å
37N93.5Very high97.1Very high28 Ų2818.9 Ų18.915%0.1510%0.103CC..THydrogen-bonded Turntrans-85.2-4.3176.5-59.4-21.2000113.3K10 K12 V13 H35 A264K10-N37 VanDerWaalsContact CB-ND2 3.33Å; K10-N37 WeakPolarHBondContact CB-ND2 3.45Å; K10-N37 WeakPolarHBondContact CD-ND2 3.14Å; K12-N37 CarbonylContact C-O 3.36Å; K12-N37 VanDerWaalsContact CA-O 3.29Å; K12-N37 WeakPolarHBondContact CA-O 3.19Å; V13-N37 PolarHBondContact N-O 3.37Å; H35-N37 PolarHBondContact CE1-ND2 2.66Å; H35-N37 PolarHBondContact ND1-N 3.47Å; H35-N37 PolarHBondContact O-N 3.4Å; H35-N37 VanDerWaalsContact O-N 3.08Å; N37-A264 PolarHBondContact ND2-O 2.86Å
38V96.7Very high97.2Very high17 Ų1718.8 Ų18.810%0.10310%0.103CC..EExtended strand (participates in β ladder)trans-112.3130-175.5-178.60000109.4L15 A32 H35 A36 M260 A264L15-V38 HydrophobicContact CB-CG1 4.1Å; L15-V38 HydrophobicContact CD2-CG1 3.74Å; A32-V38 HydrophobicContact CB-CG1 4.36Å; A32-V38 WeakPolarHBondContact O-CG1 3.38Å; H35-V38 HydrophobicContact CB-CB 4.37Å; H35-V38 HydrophobicContact CB-CG2 4.09Å; H35-V38 PolarHBondContact O-N 2.91Å; A36-V38 VanDerWaalsContact C-N 3.34Å; V38-M260 HydrophobicContact CB-CE 4.49Å; V38-M260 HydrophobicContact CG1-CE 4.09Å; V38-M260 HydrophobicContact CG2-CE 3.6Å; V38-A264 HydrophobicContact CG2-CB 3.93Å
39R97.6Very high97.3Very high122 Ų12219.1 Ų19.146%0.4611%0.105SC..EExtended strand (participates in β ladder)trans-113.693.4167-176.5170.470.8158.60.5108V13 D14 L15 L41V13-R39 PolarHBondContact O-N 2.99Å; D14-R39 IonicContact OD1-CZ 2.69Å; D14-R39 IonicContact OD1-NE 3.66Å; D14-R39 PolarHBondContact OD1-NE 3.33Å; D14-R39 IonicContact OD1-NH2 3.16Å; D14-R39 PolarHBondContact OD1-NH2 3.26Å; D14-R39 IonicContact OD2-CZ 3.19Å; D14-R39 IonicContact OD2-NE 3.27Å; D14-R39 IonicContact OD2-NH2 3.35Å; D14-R39 PolarHBondContact OD2-NH2 3.2Å; L15-R39 PolarHBondContact N-O 3.19Å; R39-L41 HydrophobicContact CG-CD2 3.89Å; R39-L41 PolarHBondContact O-N 2.99Å
40L98.5Very high97.2Very high12 Ų1219.1 Ų19.16%0.06311%0.105CC..EExtended strand (participates in β ladder)trans-68.9117.8172.4-176.259.2000109.6L15 I17 L29 A32 A42 V43 L63 V72L15-L40 HydrophobicContact CD2-CD1 4.4Å; L15-L40 HydrophobicContact CG-CD1 4.39Å; I17-L40 HydrophobicContact CB-CD1 4.31Å; I17-L40 HydrophobicContact CD1-CD1 3.73Å; I17-L40 HydrophobicContact CD1-CD2 4.36Å; I17-L40 HydrophobicContact CG1-CD1 3.73Å; L29-L40 HydrophobicContact CD2-CD2 4.36Å; A32-L40 HydrophobicContact CB-CD2 4.13Å; L40-A42 WeakPolarHBondContact CD1-O 3.44Å; L40-V43 HydrophobicContact CD1-CG2 4.39Å; L40-V43 HydrophobicContact CD2-CG2 4.1Å; L40-L63 HydrophobicContact CD2-CD2 4.34Å; L40-V72 HydrophobicContact CB-CG2 4.23Å; L40-V72 HydrophobicContact CD2-CG1 3.96Å; L40-V72 HydrophobicContact CD2-CG2 4.06Å; L40-V72 HydrophobicContact CG-CG1 3.86Å; L40-V72 HydrophobicContact CG-CG2 3.98Å
41L98.2Very high97.3Very high35 Ų3523.2 Ų23.218%0.18313%0.127CC..EExtended strand (participates in β ladder)trans-98.3-36.3-176.2-63.8176.9000112.5D14 L15 R39 L132D14-L41 HydrophobicContact CB-CD1 3.91Å; L15-L41 PolarHBondContact O-N 2.85Å; R39-L41 HydrophobicContact CG-CD2 3.89Å; R39-L41 PolarHBondContact O-N 2.99Å; L41-L132 HydrophobicContact CD1-CD2 3.58Å
42A98.6Very high97.4Very high1 Ų123.7 Ų23.71%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-158.2154.8-17700000110.5I16 I17 L40 R73 Y75 L124I16-A42 WeakPolarHBondContact CA-O 3.25Å; I16-A42 HydrophobicContact CG1-CB 4.42Å; I16-A42 HydrophobicContact CG2-CB 4.32Å; I17-A42 PolarHBondContact N-O 2.79Å; I17-A42 VanDerWaalsContact N-O 3.14Å; L40-A42 WeakPolarHBondContact CD1-O 3.44Å; A42-R73 CarbonylContact C-O 3.09Å; A42-R73 VanDerWaalsContact CA-O 3.29Å; A42-R73 WeakPolarHBondContact CA-O 3.39Å; A42-Y75 HydrophobicContact CB-CD2 4.25Å; A42-Y75 HydrophobicContact CB-CE2 3.8Å; A42-L124 HydrophobicContact CB-CD1 3.86Å
43V98.9Very high97.4Very high0 Ų026.8 Ų26.80%015%0.145CC..EExtended strand (participates in β ladder)trans-118.1129164.1-174.90000108.3I17 A19 L29 L40 V45 T59 V72 R73 V74 Y75I17-V43 CarbonylContact O-C 3.51Å; I17-V43 VanDerWaalsContact O-CA 3.27Å; I17-V43 WeakPolarHBondContact O-CA 3.49Å; A19-V43 HydrophobicContact CB-CG1 4.22Å; L29-V43 HydrophobicContact CD2-CG1 4.3Å; L29-V43 HydrophobicContact CD2-CG2 3.64Å; L40-V43 HydrophobicContact CD1-CG2 4.39Å; L40-V43 HydrophobicContact CD2-CG2 4.1Å; V43-V45 HydrophobicContact CG1-CG2 4.41Å; V43-T59 HydrophobicContact CB-CG2 3.92Å; V43-T59 HydrophobicContact CG1-CG2 3.57Å; V43-T59 HydrophobicContact CG2-CG2 4.27Å; V43-V72 HydrophobicContact CG2-CG1 3.88Å; V43-R73 PolarHBondContact N-O 2.79Å; V43-V74 HydrophobicContact CB-CG2 4.43Å; V43-V74 CarbonylContact O-C 3.49Å; V43-V74 VanDerWaalsContact O-CA 3.26Å; V43-V74 WeakPolarHBondContact O-CA 3.4Å; V43-Y75 PolarHBondContact O-N 3.27Å
44T98.9Very high97.4Very high0 Ų027.4 Ų27.40%015%0.146CC..EExtended strand (participates in β ladder)trans-102.9138.5167.351.30000109.2I17 D18 A19 Y75 A117 L121I17-T44 PolarHBondContact O-N 3.5Å; I17-T44 PolarHBondContact O-OG1 2.91Å; D18-T44 CarbonylContact C-O 3.14Å; D18-T44 WeakPolarHBondContact CA-O 3.28Å; D18-T44 VanDerWaalsContact CA-OG1 3.3Å; D18-T44 WeakPolarHBondContact CA-OG1 3.41Å; D18-T44 VanDerWaalsContact CB-OG1 3.31Å; D18-T44 WeakPolarHBondContact CB-OG1 3.19Å; D18-T44 WeakPolarHBondContact OD1-CB 3.47Å; D18-T44 PolarHBondContact OD1-OG1 3.06Å; A19-T44 PolarHBondContact N-O 3.05Å; T44-Y75 HydrophobicContact CG2-CD2 4.44Å; T44-A117 HydrophobicContact CG2-CB 3.65Å; T44-L121 HydrophobicContact CG2-CD1 4.32Å; T44-L121 HydrophobicContact CG2-CD2 4.31Å; T44-L121 HydrophobicContact CG2-CG 3.93Å
45V98.9Very high97.6Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-108.4123.9-178.2179.10000109.9A19 V43 F52 Q55 I56 T59 V74 Y75 G77 N142A19-V45 CarbonylContact O-C 3.31Å; A19-V45 VanDerWaalsContact O-CA 3.27Å; A19-V45 WeakPolarHBondContact O-CA 3.49Å; V43-V45 HydrophobicContact CG1-CG2 4.41Å; V45-F52 HydrophobicContact CG1-CE2 4.23Å; V45-F52 HydrophobicContact CG1-CZ 4.44Å; V45-Q55 HydrophobicContact CG1-CB 3.92Å; V45-I56 HydrophobicContact CB-CD1 3.57Å; V45-I56 HydrophobicContact CG1-CD1 3.82Å; V45-I56 HydrophobicContact CG1-CG1 4.26Å; V45-I56 HydrophobicContact CG2-CD1 3.73Å; V45-T59 HydrophobicContact CG2-CG2 4.33Å; V45-T59 WeakPolarHBondContact CG2-OG1 3.44Å; V45-V74 HydrophobicContact CG2-CG1 3.9Å; V45-Y75 PolarHBondContact N-O 3.17Å; V45-G77 WeakPolarHBondContact O-CA 3.37Å; V45-G77 PolarHBondContact O-N 3.18Å; V45-N142 PolarHBondContact O-ND2 2.8Å; V45-N142 VanDerWaalsContact O-ND2 3.16Å
46C98.8Very high97.9Very high0 Ų024.4 Ų24.40%013%0.131CC..  trans-100.6171.8172.7-158.40000109.8A19 Q55 S78 A138 P139 T141 N142A19-C46 PolarHBondContact O-N 3.41Å; C46-Q55 PolarHBondContact O-OE1 3.33Å; C46-S78 CarbonylContact C-O 3.56Å; C46-A138 HydrophobicContact CB-CB 3.74Å; C46-P139 PolarHBondContact SG-O 2.83Å; C46-T141 VanDerWaalsContact SG-CB 3.56Å; C46-N142 WeakPolarHBondContact CB-ND2 3.41Å; C46-N142 PolarHBondContact N-ND2 2.73Å
47M98.6Very high98.1Very high2 Ų225.5 Ų25.51%0.0112%0.118CC..SBendtrans-79.3152.4169.578.9-64.4156.100110F52 S78 P81 V86 P139 T141 V183 D184M47-F52 HydrophobicContact CB-CD2 4.23Å; M47-S78 WeakPolarHBondContact CB-O 3.47Å; M47-S78 PolarHBondContact N-O 3.45Å; M47-P81 HydrophobicContact CE-CB 3.57Å; M47-P81 HydrophobicContact CE-CG 4.27Å; M47-P81 VanDerWaalsContact CE-N 3.29Å; M47-V86 HydrophobicContact CB-CG2 4.49Å; M47-V86 HydrophobicContact CG-CG2 4.08Å; M47-P139 HydrophobicContact CE-CB 3.81Å; M47-P139 HydrophobicContact CE-CG 4.4Å; M47-P139 WeakPolarHBondContact O-CD 3.26Å; M47-P139 VanDerWaalsContact O-CG 3.29Å; M47-P139 WeakPolarHBondContact O-CG 3.27Å; M47-T141 WeakPolarHBondContact CE-OG1 3.34Å; M47-T141 HydrophobicContact SD-CG2 4.33Å; M47-T141 PolarHBondContact SD-OG1 3.04Å; M47-V183 HydrophobicContact CE-CG1 3.78Å; M47-D184 HydrophobicContact CE-CB 4.38Å
48G98.3Very high98.4Very high0 Ų024.1 Ų24.10%011%0.111CC..  trans167.3-122.3-177.700000111.6D20 V50 L88 Y179D20-G48 VanDerWaalsContact OD2-CA 3.23Å; D20-G48 WeakPolarHBondContact OD2-CA 3.25Å; G48-V50 VanDerWaalsContact C-N 3.32Å; G48-V50 PolarHBondContact O-N 3.27Å; G48-L88 WeakPolarHBondContact O-CD2 3.28Å; G48-Y179 WeakPolarHBondContact CA-OH 3.48Å; G48-Y179 PolarHBondContact O-OH 3.46Å
49N98.5Very high98.5Very high6 Ų623.3 Ų23.33%0.03211%0.106CC..SBendtrans-46.5-40.8-161.1-72.3-43000117.2D20 A22 D25 A89 Y179D20-N49 PolarHBondContact O-ND2 3.46Å; D20-N49 PolarHBondContact OD1-ND2 2.9Å; D20-N49 VanDerWaalsContact OD2-CG 3.24Å; D20-N49 PolarHBondContact OD2-N 3.27Å; D20-N49 PolarHBondContact OD2-ND2 3.44Å; D20-N49 VanDerWaalsContact OD2-ND2 3.11Å; A22-N49 HydrophobicContact CB-CB 3.44Å; A22-N49 VanDerWaalsContact CB-CB 3.44Å; D25-N49 PolarHBondContact OD2-ND2 3.4Å; N49-A89 CarbonylContact O-C 3.58Å; N49-A89 PolarHBondContact O-N 3.02Å; N49-Y179 VanDerWaalsContact CA-OH 3.24Å; N49-Y179 WeakPolarHBondContact CA-OH 3.13Å; N49-Y179 PolarHBondContact N-OH 2.98Å; N49-Y179 VanDerWaalsContact OD1-CE1 3.25Å; N49-Y179 WeakPolarHBondContact OD1-CE1 3.04Å
50V98.6Very high98.5Very high1 Ų118.1 Ų18.11%0.0069%0.087CC..SBendtrans-138.4-176.8179.9-62.60000111.8G48 F52 Q54 Q55 L88 T90 G97G48-V50 VanDerWaalsContact C-N 3.32Å; G48-V50 PolarHBondContact O-N 3.27Å; V50-F52 PolarHBondContact O-N 2.85Å; V50-Q54 HydrophobicContact CG2-CB 4.07Å; V50-Q54 HydrophobicContact CG2-CG 3.9Å; V50-Q55 HydrophobicContact CG2-CG 3.57Å; V50-Q55 PolarHBondContact O-NE2 3.42Å; V50-L88 WeakPolarHBondContact O-CD2 3.33Å; V50-T90 HydrophobicContact CG1-CG2 4.05Å; V50-G97 VanDerWaalsContact CG1-CA 3.47Å
51D98.3Very high98.5Very high85 Ų8518.7 Ų18.746%0.4559%0.089SC..  trans-48.8136.1175174.8-99.5000111.4D53 Q54 Q55D51-D53 VanDerWaalsContact C-N 3.29Å; D51-D53 PolarHBondContact O-N 3.29Å; D51-D53 PolarHBondContact OD1-N 3.06Å; D51-Q54 HydrophobicContact CB-CB 4.09Å; D51-Q54 CarbonylContact O-C 3.55Å; D51-Q54 WeakPolarHBondContact O-CA 3.19Å; D51-Q54 VanDerWaalsContact O-CB 3.27Å; D51-Q54 WeakPolarHBondContact O-CB 3.43Å; D51-Q54 PolarHBondContact O-N 3.41Å; D51-Q54 PolarHBondContact OD1-N 3.09Å; D51-Q55 WeakPolarHBondContact O-CG 3.4Å; D51-Q55 PolarHBondContact O-N 2.94Å
52F98.5Very high98.5Very high12 Ų1217 Ų175%0.0538%0.08CC..Hα-helixtrans-58.5-40.9-171.9-176.9-86.1000112.7V45 M47 V50 Q54 Q55 I56 A76 S78 R79V45-F52 HydrophobicContact CG1-CE2 4.23Å; V45-F52 HydrophobicContact CG1-CZ 4.44Å; M47-F52 HydrophobicContact CB-CD2 4.23Å; V50-F52 PolarHBondContact O-N 2.85Å; F52-Q54 VanDerWaalsContact C-N 3.28Å; F52-Q54 PolarHBondContact O-N 3.43Å; F52-Q55 PolarHBondContact O-N 3.06Å; F52-I56 HydrophobicContact CD1-CG1 4.24Å; F52-I56 HydrophobicContact CE1-CD1 4.24Å; F52-I56 HydrophobicContact CE1-CG1 3.9Å; F52-I56 HydrophobicContact CZ-CD1 4.45Å; F52-I56 WeakPolarHBondContact O-CG1 3.4Å; F52-I56 PolarHBondContact O-N 2.89Å; F52-I56 VanDerWaalsContact O-N 3.13Å; F52-A76 HydrophobicContact CE1-CB 3.88Å; F52-A76 HydrophobicContact CZ-CB 3.86Å; F52-S78 VanDerWaalsContact CE2-O 3.32Å; F52-S78 WeakPolarHBondContact CE2-O 3.36Å; F52-R79 HydrophobicContact CB-CG 4.48Å; F52-R79 HydrophobicContact CD1-CG 3.84Å; F52-R79 HydrophobicContact CD2-CB 4.45Å; F52-R79 HydrophobicContact CD2-CG 3.91Å; F52-R79 HydrophobicContact CE1-CG 3.96Å; F52-R79 HydrophobicContact CE2-CG 4.03Å; F52-R79 HydrophobicContact CG-CG 3.8Å; F52-R79 HydrophobicContact CZ-CG 4.04Å
53D97.9Very high98.5Very high65 Ų6517 Ų1735%0.3488%0.08SC..Hα-helixtrans-73-27179.4-65.9-47.9000111.2D51 R57 R79D51-D53 VanDerWaalsContact C-N 3.29Å; D51-D53 PolarHBondContact O-N 3.29Å; D51-D53 PolarHBondContact OD1-N 3.06Å; D53-R57 WeakPolarHBondContact O-CG 3.36Å; D53-R57 PolarHBondContact O-N 2.94Å; D53-R57 VanDerWaalsContact O-N 3.14Å; D53-R79 IonicContact OD1-CZ 3.55Å; D53-R79 IonicContact OD1-NH1 3.39Å; D53-R79 PolarHBondContact OD1-NH1 3.03Å; D53-R79 IonicContact OD1-NH2 2.57Å; D53-R79 PolarHBondContact OD1-NH2 3.41Å; D53-R79 IonicContact OD2-CZ 3.37Å; D53-R79 IonicContact OD2-NH1 3.81Å; D53-R79 PolarHBondContact OD2-NH1 3.31Å; D53-R79 IonicContact OD2-NH2 3.98Å
54Q98.2Very high98.5Very high30 Ų3017.6 Ų17.614%0.148%0.082CC..Hα-helixtrans-67-41.7168-17563.450.100112.3V50 D51 F52 I56 R57 N58 D96V50-Q54 HydrophobicContact CG2-CB 4.07Å; V50-Q54 HydrophobicContact CG2-CG 3.9Å; D51-Q54 HydrophobicContact CB-CB 4.09Å; D51-Q54 CarbonylContact O-C 3.55Å; D51-Q54 WeakPolarHBondContact O-CA 3.19Å; D51-Q54 VanDerWaalsContact O-CB 3.27Å; D51-Q54 WeakPolarHBondContact O-CB 3.43Å; D51-Q54 PolarHBondContact O-N 3.41Å; D51-Q54 PolarHBondContact OD1-N 3.09Å; F52-Q54 VanDerWaalsContact C-N 3.28Å; F52-Q54 PolarHBondContact O-N 3.43Å; Q54-I56 VanDerWaalsContact C-N 3.33Å; Q54-I56 PolarHBondContact O-N 3.47Å; Q54-R57 WeakPolarHBondContact O-CA 3.2Å; Q54-R57 WeakPolarHBondContact O-CB 3.12Å; Q54-R57 PolarHBondContact O-N 3.28Å; Q54-R57 VanDerWaalsContact O-N 3.1Å; Q54-R57 VanDerWaalsContact OE1-NE 3.13Å; Q54-N58 PolarHBondContact NE2-OD1 3.01Å; Q54-N58 PolarHBondContact O-N 2.75Å; Q54-N58 PolarHBondContact O-OD1 2.81Å; Q54-D96 WeakPolarHBondContact CG-O 3.33Å; Q54-D96 PolarHBondContact NE2-O 2.74Å
55Q98.5Very high98.4Very high1 Ų118.8 Ų18.81%0.0059%0.088CC..Hα-helixtrans-60.3-43.4176.5-63.1172.264.200111.4D20 V45 C46 V50 D51 F52 R57 N58 T59D20-Q55 PolarHBondContact O-OE1 3.22Å; V45-Q55 HydrophobicContact CG1-CB 3.92Å; C46-Q55 PolarHBondContact O-OE1 3.33Å; V50-Q55 HydrophobicContact CG2-CG 3.57Å; V50-Q55 PolarHBondContact O-NE2 3.42Å; D51-Q55 WeakPolarHBondContact O-CG 3.4Å; D51-Q55 PolarHBondContact O-N 2.94Å; F52-Q55 PolarHBondContact O-N 3.06Å; Q55-R57 VanDerWaalsContact C-N 3.33Å; Q55-R57 PolarHBondContact O-N 3.29Å; Q55-N58 WeakPolarHBondContact O-CB 3.4Å; Q55-N58 PolarHBondContact O-N 2.94Å; Q55-N58 VanDerWaalsContact O-N 3.14Å; Q55-T59 PolarHBondContact O-N 3.06Å; Q55-T59 PolarHBondContact O-OG1 3.23Å
56I98.3Very high98.3Very high15 Ų1519.3 Ų19.38%0.0779%0.092CC..Hα-helixtrans-57.2-46.3172.9-66.4-70.2000111.1V45 F52 Q54 N58 T59 L60 V74 A76 I111V45-I56 HydrophobicContact CB-CD1 3.57Å; V45-I56 HydrophobicContact CG1-CD1 3.82Å; V45-I56 HydrophobicContact CG1-CG1 4.26Å; V45-I56 HydrophobicContact CG2-CD1 3.73Å; F52-I56 HydrophobicContact CD1-CG1 4.24Å; F52-I56 HydrophobicContact CE1-CD1 4.24Å; F52-I56 HydrophobicContact CE1-CG1 3.9Å; F52-I56 HydrophobicContact CZ-CD1 4.45Å; F52-I56 WeakPolarHBondContact O-CG1 3.4Å; F52-I56 PolarHBondContact O-N 2.89Å; F52-I56 VanDerWaalsContact O-N 3.13Å; Q54-I56 VanDerWaalsContact C-N 3.33Å; Q54-I56 PolarHBondContact O-N 3.47Å; I56-N58 VanDerWaalsContact C-N 3.32Å; I56-N58 PolarHBondContact O-N 2.81Å; I56-T59 PolarHBondContact O-N 3.21Å; I56-L60 HydrophobicContact CG2-CD1 3.77Å; I56-L60 HydrophobicContact CG2-CG 4.38Å; I56-L60 WeakPolarHBondContact O-CB 3.19Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.3Å; I56-L60 PolarHBondContact O-N 3.32Å; I56-V74 HydrophobicContact CD1-CG1 4.35Å; I56-A76 HydrophobicContact CD1-CB 4.07Å; I56-I111 HydrophobicContact CD1-CD1 3.78Å; I56-I111 HydrophobicContact CG1-CD1 4.37Å; I56-I111 HydrophobicContact CG2-CD1 4.04Å
57R98.1Very high98.2Very high103 Ų10323.9 Ų23.939%0.38912%0.116SC..Hα-helixtrans-59.1-43.9175.8-74.3-170-68.3-97.35.8111.3D53 Q54 Q55 L60 Y61D53-R57 WeakPolarHBondContact O-CG 3.36Å; D53-R57 PolarHBondContact O-N 2.94Å; D53-R57 VanDerWaalsContact O-N 3.14Å; Q54-R57 WeakPolarHBondContact O-CA 3.2Å; Q54-R57 WeakPolarHBondContact O-CB 3.12Å; Q54-R57 PolarHBondContact O-N 3.28Å; Q54-R57 VanDerWaalsContact O-N 3.1Å; Q54-R57 VanDerWaalsContact OE1-NE 3.13Å; Q55-R57 VanDerWaalsContact C-N 3.33Å; Q55-R57 PolarHBondContact O-N 3.29Å; R57-L60 PolarHBondContact O-N 3.02Å; R57-Y61 VanDerWaalsContact O-CB 3.23Å; R57-Y61 WeakPolarHBondContact O-CB 3.43Å; R57-Y61 PolarHBondContact O-N 3.5Å
58N98.7Very high98.2Very high0 Ų023.8 Ų23.80%012%0.116CC..Hα-helixtrans-63.3-43.5179.6-63.8-9.7000112T21 Q54 Q55 I56 T62 D96 M98T21-N58 HydrophobicContact CG2-CB 3.68Å; T21-N58 WeakPolarHBondContact O-CB 3.41Å; T21-N58 PolarHBondContact O-ND2 2.84Å; Q54-N58 PolarHBondContact NE2-OD1 3.01Å; Q54-N58 PolarHBondContact O-N 2.75Å; Q54-N58 PolarHBondContact O-OD1 2.81Å; Q55-N58 WeakPolarHBondContact O-CB 3.4Å; Q55-N58 PolarHBondContact O-N 2.94Å; Q55-N58 VanDerWaalsContact O-N 3.14Å; I56-N58 VanDerWaalsContact C-N 3.32Å; I56-N58 PolarHBondContact O-N 2.81Å; N58-T62 VanDerWaalsContact O-CB 3.3Å; N58-T62 WeakPolarHBondContact O-CB 3.46Å; N58-T62 PolarHBondContact O-N 3.23Å; N58-T62 PolarHBondContact O-OG1 3.48Å; N58-D96 PolarHBondContact ND2-O 2.89Å; N58-D96 PolarHBondContact OD1-O 3.42Å; N58-M98 HydrophobicContact CB-CE 4.14Å; N58-M98 HydrophobicContact CB-CG 4.18Å; N58-M98 HydrophobicContact CB-SD 3.96Å; N58-M98 WeakPolarHBondContact OD1-CE 3.45Å
59T98.8Very high98Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-61.3-51.7176.2-47.30000110.8T21 L29 V43 V45 Q55 I56 T62 L63 V74T21-T59 WeakPolarHBondContact CB-OG1 3.48Å; T21-T59 PolarHBondContact OG1-OG1 3.46Å; L29-T59 HydrophobicContact CD1-CG2 4.19Å; V43-T59 HydrophobicContact CB-CG2 3.92Å; V43-T59 HydrophobicContact CG1-CG2 3.57Å; V43-T59 HydrophobicContact CG2-CG2 4.27Å; V45-T59 HydrophobicContact CG2-CG2 4.33Å; V45-T59 WeakPolarHBondContact CG2-OG1 3.44Å; Q55-T59 PolarHBondContact O-N 3.06Å; Q55-T59 PolarHBondContact O-OG1 3.23Å; I56-T59 PolarHBondContact O-N 3.21Å; T59-T62 PolarHBondContact O-N 2.92Å; T59-L63 HydrophobicContact CG2-CD1 4.42Å; T59-L63 WeakPolarHBondContact O-CG 3.47Å; T59-L63 PolarHBondContact O-N 3.18Å; T59-V74 HydrophobicContact CG2-CG1 3.92Å; T59-V74 HydrophobicContact CG2-CG2 3.73Å
60L98.6Very high97.9Very high13 Ų1333.8 Ų33.87%0.06816%0.162CC..Hα-helixtrans-62.6-45.3-178.2-70173000111.6I56 R57 T62 L63 E64 V74 P106 A109I56-L60 HydrophobicContact CG2-CD1 3.77Å; I56-L60 HydrophobicContact CG2-CG 4.38Å; I56-L60 WeakPolarHBondContact O-CB 3.19Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.3Å; I56-L60 PolarHBondContact O-N 3.32Å; R57-L60 PolarHBondContact O-N 3.02Å; L60-T62 PolarHBondContact O-N 2.82Å; L60-L63 PolarHBondContact O-N 2.92Å; L60-E64 PolarHBondContact O-N 2.79Å; L60-V74 HydrophobicContact CD2-CB 3.88Å; L60-V74 HydrophobicContact CD2-CG1 4.45Å; L60-V74 HydrophobicContact CD2-CG2 3.65Å; L60-V74 HydrophobicContact CG-CG2 4.43Å; L60-P106 HydrophobicContact CB-CB 3.85Å; L60-P106 HydrophobicContact CB-CG 3.79Å; L60-P106 HydrophobicContact CD1-CG 4.26Å; L60-A109 HydrophobicContact CB-CB 3.88Å; L60-A109 HydrophobicContact CD2-CB 3.75Å; L60-A109 HydrophobicContact CG-CB 4.38Å
61Y98.5Very high97.7Very high24 Ų2440.3 Ų40.39%0.09419%0.187CC..Hα-helixtrans-62.4-43.3179.1-173.6-100.7000111.6R57 L63 E64 Q65 M98 F103 P104 F231R57-Y61 VanDerWaalsContact O-CB 3.23Å; R57-Y61 WeakPolarHBondContact O-CB 3.43Å; R57-Y61 PolarHBondContact O-N 3.5Å; Y61-L63 PolarHBondContact O-N 3.12Å; Y61-E64 WeakPolarHBondContact O-CB 3.32Å; Y61-E64 PolarHBondContact O-N 3.19Å; Y61-Q65 HydrophobicContact CD1-CG 4.01Å; Y61-Q65 HydrophobicContact CE1-CG 3.73Å; Y61-Q65 WeakPolarHBondContact O-CG 3.33Å; Y61-Q65 PolarHBondContact O-N 2.85Å; Y61-Q65 PolarHBondContact OH-NE2 2.88Å; Y61-M98 HydrophobicContact CD1-CE 4.25Å; Y61-F103 HydrophobicContact CD1-CB 4.18Å; Y61-F103 HydrophobicContact CD1-CG 4.3Å; Y61-F103 HydrophobicContact CE1-CB 3.71Å; Y61-F103 AromaticContact CE1-CD1 3.64Å; Y61-F103 HydrophobicContact CE1-CD1 3.64Å; Y61-F103 HydrophobicContact CE1-CD2 4.32Å; Y61-F103 HydrophobicContact CE1-CE1 4.33Å; Y61-F103 AromaticContact CE1-CG 3.63Å; Y61-F103 HydrophobicContact CE1-CG 3.63Å; Y61-F103 HydrophobicContact CE2-CB 4.33Å; Y61-F103 AromaticContact CZ-CD1 3.84Å; Y61-F103 WeakPolarHBondContact OH-CD1 3.46Å; Y61-P104 VanDerWaalsContact CD2-O 3.26Å; Y61-P104 WeakPolarHBondContact CD2-O 3.45Å; Y61-P104 HydrophobicContact CE2-CG 3.94Å; Y61-P104 VanDerWaalsContact CE2-O 3.32Å; Y61-P104 WeakPolarHBondContact CE2-O 3.44Å; Y61-F231 AromaticContact CD1-CE2 3.92Å; Y61-F231 HydrophobicContact CD1-CE2 3.92Å; Y61-F231 AromaticContact CD1-CZ 3.97Å; Y61-F231 HydrophobicContact CD1-CZ 3.97Å; Y61-F231 HydrophobicContact CE1-CD2 4.37Å; Y61-F231 AromaticContact CE1-CE2 3.65Å; Y61-F231 HydrophobicContact CE1-CE2 3.65Å; Y61-F231 HydrophobicContact CE1-CZ 4.12Å
62T98.5Very high97.7Very high0 Ų036.5 Ų36.50%017%0.166CC..Hα-helixtrans-59.4-44.4175.2-62.20000111.9V26 L29 V30 N58 T59 L60 E64 Q65 C66 F231V26-T62 HydrophobicContact CG1-CG2 4.08Å; V26-T62 WeakPolarHBondContact CG2-OG1 3.32Å; L29-T62 HydrophobicContact CB-CG2 3.73Å; L29-T62 HydrophobicContact CD1-CG2 4.18Å; V30-T62 HydrophobicContact CG2-CG2 4.05Å; N58-T62 VanDerWaalsContact O-CB 3.3Å; N58-T62 WeakPolarHBondContact O-CB 3.46Å; N58-T62 PolarHBondContact O-N 3.23Å; N58-T62 PolarHBondContact O-OG1 3.48Å; T59-T62 PolarHBondContact O-N 2.92Å; L60-T62 PolarHBondContact O-N 2.82Å; T62-E64 VanDerWaalsContact C-N 3.3Å; T62-E64 PolarHBondContact O-N 3.49Å; T62-Q65 WeakPolarHBondContact O-CB 3.32Å; T62-Q65 PolarHBondContact O-N 2.93Å; T62-Q65 VanDerWaalsContact O-N 3.07Å; T62-C66 PolarHBondContact O-N 3.07Å; T62-C66 VanDerWaalsContact O-N 3.1Å; T62-C66 PolarHBondContact O-SG 3.14Å; T62-F231 HydrophobicContact CG2-CE1 4.29Å
63L98.5Very high97.6Very high1 Ų140.6 Ų40.61%0.00518%0.182CC..Hα-helixtrans-62.7-35.6176.5-68.2175.7000112.3L40 T59 L60 Y61 C66 D67 A68 V72 V74L40-L63 HydrophobicContact CD2-CD2 4.34Å; T59-L63 HydrophobicContact CG2-CD1 4.42Å; T59-L63 WeakPolarHBondContact O-CG 3.47Å; T59-L63 PolarHBondContact O-N 3.18Å; L60-L63 PolarHBondContact O-N 2.92Å; Y61-L63 PolarHBondContact O-N 3.12Å; L63-C66 CarbonylContact O-C 3.59Å; L63-C66 PolarHBondContact O-N 3.45Å; L63-D67 PolarHBondContact O-N 2.84Å; L63-D67 VanDerWaalsContact O-N 3.13Å; L63-A68 HydrophobicContact CB-CB 4.4Å; L63-A68 HydrophobicContact CD2-CB 3.98Å; L63-A68 PolarHBondContact O-N 2.86Å; L63-V72 HydrophobicContact CD1-CB 4.07Å; L63-V72 HydrophobicContact CD1-CG1 3.98Å; L63-V72 HydrophobicContact CD2-CB 3.99Å; L63-V72 HydrophobicContact CD2-CG1 4.04Å; L63-V72 HydrophobicContact CD2-CG2 4.21Å; L63-V74 HydrophobicContact CD1-CG2 3.32Å
64E97.9Very high97.7Very high11 Ų1137.6 Ų37.65%0.05117%0.165CC..Hα-helixtrans-67.4-36.9171-66.7-176.8-170.800112.7L60 Y61 T62 C66 D67 E69 P106 I107 R108 A109L60-E64 PolarHBondContact O-N 2.79Å; Y61-E64 WeakPolarHBondContact O-CB 3.32Å; Y61-E64 PolarHBondContact O-N 3.19Å; T62-E64 VanDerWaalsContact C-N 3.3Å; T62-E64 PolarHBondContact O-N 3.49Å; E64-C66 PolarHBondContact O-N 3.43Å; E64-D67 PolarHBondContact O-N 2.89Å; E64-E69 HydrophobicContact CG-CB 4.27Å; E64-E69 HydrophobicContact CG-CG 4.47Å; E64-P106 WeakPolarHBondContact OE1-CA 3.43Å; E64-P106 WeakPolarHBondContact OE1-CB 3.4Å; E64-I107 PolarHBondContact OE1-N 2.81Å; E64-I107 PolarHBondContact OE2-N 2.69Å; E64-R108 HydrophobicContact CG-CB 4.25Å; E64-R108 PolarHBondContact O-NH2 3.39Å; E64-R108 WeakPolarHBondContact OE1-CA 3.34Å; E64-R108 PolarHBondContact OE1-N 2.84Å; E64-A109 HydrophobicContact CG-CB 3.66Å; E64-A109 WeakPolarHBondContact OE1-CB 3.35Å; E64-A109 PolarHBondContact OE1-N 2.81Å
65Q97.4Very high97.7Very high25 Ų2537 Ų3712%0.11716%0.162CC..Hα-helixtrans-63-28.2175.9-63.2-41.4-56.800111.7Y61 T62 L228 F231Y61-Q65 HydrophobicContact CD1-CG 4.01Å; Y61-Q65 HydrophobicContact CE1-CG 3.73Å; Y61-Q65 WeakPolarHBondContact O-CG 3.33Å; Y61-Q65 PolarHBondContact O-N 2.85Å; Y61-Q65 PolarHBondContact OH-NE2 2.88Å; T62-Q65 WeakPolarHBondContact O-CB 3.32Å; T62-Q65 PolarHBondContact O-N 2.93Å; T62-Q65 VanDerWaalsContact O-N 3.07Å; Q65-L228 HydrophobicContact CB-CD2 3.8Å; Q65-L228 WeakPolarHBondContact O-CD2 3.5Å; Q65-F231 HydrophobicContact CB-CD1 4.05Å; Q65-F231 HydrophobicContact CB-CE1 4.02Å; Q65-F231 HydrophobicContact CG-CD1 4.01Å; Q65-F231 HydrophobicContact CG-CD2 4.31Å; Q65-F231 HydrophobicContact CG-CE1 3.84Å; Q65-F231 HydrophobicContact CG-CE2 4.18Å; Q65-F231 HydrophobicContact CG-CG 4.24Å; Q65-F231 HydrophobicContact CG-CZ 3.95Å
66C97Very high97.7Very high11 Ų1138.2 Ų38.27%0.07417%0.172CC..THydrogen-bonded Turntrans-95.56.8177.2-62.40000114.9C33 T62 L63 E64 A68C33-C66 HydrophobicContact CB-CB 3.66Å; T62-C66 PolarHBondContact O-N 3.07Å; T62-C66 VanDerWaalsContact O-N 3.1Å; T62-C66 PolarHBondContact O-SG 3.14Å; L63-C66 CarbonylContact O-C 3.59Å; L63-C66 PolarHBondContact O-N 3.45Å; E64-C66 PolarHBondContact O-N 3.43Å; C66-A68 HydrophobicContact CB-CB 4.12Å; C66-A68 PolarHBondContact O-N 2.94Å; C66-A68 VanDerWaalsContact O-N 3.14Å
67D97Very high97.7Very high97 Ų9738.4 Ų38.452%0.51918%0.178SC..THydrogen-bonded Turntrans47.940.4-174.4-62.3-56.5000112.9L63 E64 E69 R71 R108L63-D67 PolarHBondContact O-N 2.84Å; L63-D67 VanDerWaalsContact O-N 3.13Å; E64-D67 PolarHBondContact O-N 2.89Å; D67-E69 VanDerWaalsContact C-OE2 3.29Å; D67-E69 WeakPolarHBondContact CA-OE2 3.11Å; D67-R71 PolarHBondContact O-NH1 3.5Å; D67-R108 IonicContact OD1-CZ 3.71Å; D67-R108 IonicContact OD1-NH1 3.46Å; D67-R108 PolarHBondContact OD1-NH1 2.84Å; D67-R108 IonicContact OD1-NH2 2.73Å; D67-R108 PolarHBondContact OD1-NH2 3.42Å
68A97.4Very high97.8Very high0 Ų033.8 Ų33.80%016%0.162CC..  trans-110.4-2.9-172.500000113.3L63 C66 Q70 R71 V72L63-A68 HydrophobicContact CB-CB 4.4Å; L63-A68 HydrophobicContact CD2-CB 3.98Å; L63-A68 PolarHBondContact O-N 2.86Å; C66-A68 HydrophobicContact CB-CB 4.12Å; C66-A68 PolarHBondContact O-N 2.94Å; C66-A68 VanDerWaalsContact O-N 3.14Å; A68-Q70 VanDerWaalsContact C-N 3.25Å; A68-Q70 PolarHBondContact O-N 3.28Å; A68-R71 HydrophobicContact CB-CG 4.33Å; A68-R71 VanDerWaalsContact CB-CZ 3.44Å; A68-R71 WeakPolarHBondContact O-CG 3.31Å; A68-R71 PolarHBondContact O-N 3.42Å; A68-V72 HydrophobicContact CB-CG2 4.15Å; A68-V72 PolarHBondContact O-N 2.98Å
69E95.6Very high97.8Very high31 Ų3139.6 Ų39.615%0.14518%0.184CC..THydrogen-bonded Turntrans-63.9-27.5-171.573.7-74.6177.300114.3E64 D67 R108 A109E64-E69 HydrophobicContact CG-CB 4.27Å; E64-E69 HydrophobicContact CG-CG 4.47Å; D67-E69 VanDerWaalsContact C-OE2 3.29Å; D67-E69 WeakPolarHBondContact CA-OE2 3.11Å; E69-R108 HydrophobicContact CG-CB 3.82Å; E69-R108 IonicContact OE1-CZ 3.4Å; E69-R108 VanDerWaalsContact OE1-CZ 3.27Å; E69-R108 IonicContact OE1-NE 3.08Å; E69-R108 IonicContact OE1-NH1 2.97Å; E69-R108 PolarHBondContact OE1-NH1 2.93Å; E69-R108 IonicContact OE2-CZ 2.71Å; E69-R108 IonicContact OE2-NH1 3.51Å; E69-R108 PolarHBondContact OE2-NH1 3.22Å; E69-A109 HydrophobicContact CB-CB 3.52Å; E69-A109 HydrophobicContact CG-CB 4.37Å
70Q94.7Very high97.7Very high185 Ų18544.3 Ų44.386%0.86421%0.206SC*.THydrogen-bonded Turntrans-82.6-24177.4-63.7-170.9-1500112.8A68A68-Q70 VanDerWaalsContact C-N 3.25Å; A68-Q70 PolarHBondContact O-N 3.28Å
71R95.2Very high97.7Very high137 Ų13744.2 Ų44.252%0.51721%0.206SC..THydrogen-bonded Turntrans-101.7-25.2-174.974.1-177.6-179.4-106.54.9113.5C33 D67 A68C33-R71 PolarHBondContact O-NH2 3.15Å; D67-R71 PolarHBondContact O-NH1 3.5Å; A68-R71 HydrophobicContact CB-CG 4.33Å; A68-R71 VanDerWaalsContact CB-CZ 3.44Å; A68-R71 WeakPolarHBondContact O-CG 3.31Å; A68-R71 PolarHBondContact O-N 3.42Å
72V97.9Very high97.7Very high5 Ų545.5 Ų45.53%0.0321%0.214CC..SBendtrans-113.1119.2-178.3-173.80000110.1L40 V43 L63 A68L40-V72 HydrophobicContact CB-CG2 4.23Å; L40-V72 HydrophobicContact CD2-CG1 3.96Å; L40-V72 HydrophobicContact CD2-CG2 4.06Å; L40-V72 HydrophobicContact CG-CG1 3.86Å; L40-V72 HydrophobicContact CG-CG2 3.98Å; V43-V72 HydrophobicContact CG2-CG1 3.88Å; L63-V72 HydrophobicContact CD1-CB 4.07Å; L63-V72 HydrophobicContact CD1-CG1 3.98Å; L63-V72 HydrophobicContact CD2-CB 3.99Å; L63-V72 HydrophobicContact CD2-CG1 4.04Å; L63-V72 HydrophobicContact CD2-CG2 4.21Å; A68-V72 HydrophobicContact CB-CG2 4.15Å; A68-V72 PolarHBondContact O-N 2.98Å
73R97.7Very high97.6Very high99 Ų9950.3 Ų50.337%0.37424%0.236SC..EExtended strand (participates in β ladder)trans-87.4137176.1-157.195.8170.2104.8-7.3110.4A42 V43 Y75 T110 A112A42-R73 CarbonylContact C-O 3.09Å; A42-R73 VanDerWaalsContact CA-O 3.29Å; A42-R73 WeakPolarHBondContact CA-O 3.39Å; V43-R73 PolarHBondContact N-O 2.79Å; R73-Y75 HydrophobicContact CB-CD2 4.49Å; R73-Y75 HydrophobicContact CB-CE2 3.66Å; R73-Y75 HydrophobicContact CG-CE1 4.18Å; R73-Y75 HydrophobicContact CG-CE2 3.82Å; R73-T110 PolarHBondContact NH1-O 2.63Å; R73-A112 HydrophobicContact CG-CB 3.86Å; R73-A112 VanDerWaalsContact CZ-CA 3.49Å
74V98.8Very high97.3Very high1 Ų152.8 Ų52.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-103.6130174-177.30000110.1V43 V45 I56 T59 L60 L63 A112V43-V74 HydrophobicContact CB-CG2 4.43Å; V43-V74 CarbonylContact O-C 3.49Å; V43-V74 VanDerWaalsContact O-CA 3.26Å; V43-V74 WeakPolarHBondContact O-CA 3.4Å; V45-V74 HydrophobicContact CG2-CG1 3.9Å; I56-V74 HydrophobicContact CD1-CG1 4.35Å; T59-V74 HydrophobicContact CG2-CG1 3.92Å; T59-V74 HydrophobicContact CG2-CG2 3.73Å; L60-V74 HydrophobicContact CD2-CB 3.88Å; L60-V74 HydrophobicContact CD2-CG1 4.45Å; L60-V74 HydrophobicContact CD2-CG2 3.65Å; L60-V74 HydrophobicContact CG-CG2 4.43Å; L63-V74 HydrophobicContact CD1-CG2 3.32Å; V74-A112 VanDerWaalsContact O-CB 3.23Å; V74-A112 WeakPolarHBondContact O-CB 3.45Å; V74-A112 PolarHBondContact O-N 3.45Å
75Y98.8Very high97.1Very high18 Ų1858.6 Ų58.67%0.07129%0.294CS..EExtended strand (participates in β ladder)trans-119.5129.1178.6-55.9-97.7000110.7A42 V43 T44 V45 R73 A112 E115 A120 R123A42-Y75 HydrophobicContact CB-CD2 4.25Å; A42-Y75 HydrophobicContact CB-CE2 3.8Å; V43-Y75 PolarHBondContact O-N 3.27Å; T44-Y75 HydrophobicContact CG2-CD2 4.44Å; V45-Y75 PolarHBondContact N-O 3.17Å; R73-Y75 HydrophobicContact CB-CD2 4.49Å; R73-Y75 HydrophobicContact CB-CE2 3.66Å; R73-Y75 HydrophobicContact CG-CE1 4.18Å; R73-Y75 HydrophobicContact CG-CE2 3.82Å; Y75-A112 HydrophobicContact CD1-CB 3.31Å; Y75-A112 HydrophobicContact CE1-CB 3.52Å; Y75-A112 HydrophobicContact CG-CB 3.95Å; Y75-E115 HydrophobicContact CD1-CB 4.4Å; Y75-E115 HydrophobicContact CD1-CG 4.4Å; Y75-E115 HydrophobicContact CE1-CB 4.32Å; Y75-E115 HydrophobicContact CE1-CG 4.33Å; Y75-E115 VanDerWaalsContact CE1-OE2 3.26Å; Y75-E115 WeakPolarHBondContact CE1-OE2 3.37Å; Y75-A120 HydrophobicContact CD1-CB 3.53Å; Y75-A120 HydrophobicContact CD2-CB 3.87Å; Y75-A120 HydrophobicContact CE1-CB 3.64Å; Y75-A120 HydrophobicContact CE2-CB 3.97Å; Y75-A120 HydrophobicContact CG-CB 3.66Å; Y75-R123 PolarHBondContact OH-NH2 2.83Å
76A98.7Very high97.1Very high26 Ų2659.6 Ų59.622%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-71.9130.7171.800000110.6F52 I56 I111 D116 A117F52-A76 HydrophobicContact CE1-CB 3.88Å; F52-A76 HydrophobicContact CZ-CB 3.86Å; I56-A76 HydrophobicContact CD1-CB 4.07Å; A76-I111 HydrophobicContact CB-CD1 3.51Å; A76-D116 WeakPolarHBondContact O-CA 3.4Å; A76-A117 PolarHBondContact O-N 3.33Å
77G98.7Very high97.1Very high20 Ų2062.5 Ų62.521%0.20631%0.314CS..  trans-112.3-135.3175.100000113.8V45 R79V45-G77 WeakPolarHBondContact O-CA 3.37Å; V45-G77 PolarHBondContact O-N 3.18Å; G77-R79 PolarHBondContact O-N 2.88Å
78S98.7Very high97.2Very high6 Ų661.3 Ų61.34%0.04231%0.308CS..  trans-70.7124.7-171.6-61.10000111.3C46 M47 F52 N142 K145C46-S78 CarbonylContact C-O 3.56Å; M47-S78 WeakPolarHBondContact CB-O 3.47Å; M47-S78 PolarHBondContact N-O 3.45Å; F52-S78 VanDerWaalsContact CE2-O 3.32Å; F52-S78 WeakPolarHBondContact CE2-O 3.36Å; S78-N142 VanDerWaalsContact CB-OD1 3.28Å; S78-N142 WeakPolarHBondContact CB-OD1 3.45Å; S78-N142 PolarHBondContact N-OD1 3.25Å; S78-N142 PolarHBondContact OG-OD1 3.32Å; S78-K145 WeakPolarHBondContact OG-CD 3.48Å; S78-K145 WeakPolarHBondContact OG-CE 3.26Å; S78-K145 PolarHBondContact OG-NZ 3.32Å
79R98.4Very high97.2Very high121 Ų12161.6 Ų61.646%0.45731%0.31SS..SBendtrans-88.5-5173.6-66.5-173.7172.4-107.3-2.8114.1F52 D53 G77 V86F52-R79 HydrophobicContact CB-CG 4.48Å; F52-R79 HydrophobicContact CD1-CG 3.84Å; F52-R79 HydrophobicContact CD2-CB 4.45Å; F52-R79 HydrophobicContact CD2-CG 3.91Å; F52-R79 HydrophobicContact CE1-CG 3.96Å; F52-R79 HydrophobicContact CE2-CG 4.03Å; F52-R79 HydrophobicContact CG-CG 3.8Å; F52-R79 HydrophobicContact CZ-CG 4.04Å; D53-R79 IonicContact OD1-CZ 3.55Å; D53-R79 IonicContact OD1-NH1 3.39Å; D53-R79 PolarHBondContact OD1-NH1 3.03Å; D53-R79 IonicContact OD1-NH2 2.57Å; D53-R79 PolarHBondContact OD1-NH2 3.41Å; D53-R79 IonicContact OD2-CZ 3.37Å; D53-R79 IonicContact OD2-NH1 3.81Å; D53-R79 PolarHBondContact OD2-NH1 3.31Å; D53-R79 IonicContact OD2-NH2 3.98Å; G77-R79 PolarHBondContact O-N 2.88Å; R79-V86 WeakPolarHBondContact O-CG2 3.37Å
80Q98.5Very high97.3Very high100 Ų10062.1 Ų62.147%0.46732%0.315SS..SBendtrans-146.3147.4-175.4-65.9-64.2-51.800109.2V86Q80-V86 VanDerWaalsContact NE2-CG2 3.35Å
81P98.5Very high97.4Very high11 Ų1158.2 Ų58.27%0.07130%0.297CS..  trans-61.9165.4167.929.4-34.2000110.7M47 E83 D184M47-P81 HydrophobicContact CE-CB 3.57Å; M47-P81 HydrophobicContact CE-CG 4.27Å; M47-P81 VanDerWaalsContact CE-N 3.29Å; P81-E83 PolarHBondContact O-N 2.79Å; P81-D184 VanDerWaalsContact CA-OD2 3.26Å; P81-D184 WeakPolarHBondContact CA-OD2 3.45Å; P81-D184 HydrophobicContact CB-CB 3.88Å; P81-D184 WeakPolarHBondContact CB-OD2 3.48Å
82L98.5Very high97.5Very high51 Ų5152.8 Ų52.827%0.26728%0.279SS..SBendtrans-61.3-37.7172.6-65.6-174.1000111.5T141 A144 K145 M148 D184 K186 A187 I190L82-T141 HydrophobicContact CD2-CG2 4.07Å; L82-T141 HydrophobicContact CG-CG2 4.14Å; L82-A144 HydrophobicContact CD1-CB 3.99Å; L82-K145 HydrophobicContact CD2-CD 4.39Å; L82-K145 HydrophobicContact CD2-CG 3.89Å; L82-M148 HydrophobicContact CD1-SD 4.3Å; L82-D184 PolarHBondContact N-OD2 3.25Å; L82-K186 HydrophobicContact CB-CB 4.35Å; L82-K186 HydrophobicContact CB-CG 4.29Å; L82-K186 HydrophobicContact CD1-CG 4.18Å; L82-A187 HydrophobicContact CD1-CB 3.9Å; L82-A187 HydrophobicContact CG-CB 4.23Å; L82-I190 HydrophobicContact CD1-CD1 3.61Å
83E94.6Very high97.5Very high100 Ų10052.9 Ų52.947%0.46728%0.279SS..SBendtrans-140.3137.6178.8-69.4178.3-164.100111.3P81 K186P81-E83 PolarHBondContact O-N 2.79Å; E83-K186 HydrophobicContact CG-CB 4.48Å; E83-K186 HydrophobicContact CG-CG 4.44Å
84G92.7Very high97.5Very high54 Ų5448.2 Ų48.256%0.55726%0.262SS*.SBendtrans92.8-163178.800000113.6
85N95.1Very high97.4Very high132 Ų13254.6 Ų54.671%0.70630%0.295SS*.  trans-105.2153-177.8-62.6-40.3000110.5Q87N85-Q87 PolarHBondContact O-N 3.02Å
86V96.8Very high97.4Very high47 Ų4754.5 Ų54.529%0.28530%0.296SS..  trans-57.3133168.3173.10000109.8M47 R79 Q80 L88M47-V86 HydrophobicContact CB-CG2 4.49Å; M47-V86 HydrophobicContact CG-CG2 4.08Å; R79-V86 WeakPolarHBondContact O-CG2 3.37Å; Q80-V86 VanDerWaalsContact NE2-CG2 3.35Å; V86-L88 HydrophobicContact CG1-CD2 3.44Å; V86-L88 VanDerWaalsContact CG1-CD2 3.44Å; V86-L88 HydrophobicContact CG1-CG 4.19Å
87Q97.3Very high97.4Very high72 Ų7253.3 Ų53.334%0.33629%0.286SS..  trans-120.8121.7172.4-65.2-177.793.800107N85 Y179 V183N85-Q87 PolarHBondContact O-N 3.02Å; Q87-Y179 PolarHBondContact O-OH 3.02Å; Q87-V183 HydrophobicContact CB-CG2 4.43Å
88L98.4Very high97.3Very high72 Ų7252.6 Ų52.638%0.37728%0.277SS..  trans-96.2162.5-179.2-52.7-178.1000109.6G48 V50 V86 T90G48-L88 WeakPolarHBondContact O-CD2 3.28Å; V50-L88 WeakPolarHBondContact O-CD2 3.33Å; V86-L88 HydrophobicContact CG1-CD2 3.44Å; V86-L88 VanDerWaalsContact CG1-CD2 3.44Å; V86-L88 HydrophobicContact CG1-CG 4.19Å; L88-T90 HydrophobicContact CB-CG2 4.25Å; L88-T90 HydrophobicContact CD1-CG2 4.38Å
89A97.5Very high97.3Very high5 Ų552.4 Ų52.44%0.04128%0.276CS..  trans-119.936.9176.500000111.8N49 E91 V92 H93 Y179N49-A89 CarbonylContact O-C 3.58Å; N49-A89 PolarHBondContact O-N 3.02Å; A89-E91 VanDerWaalsContact C-OE2 3.28Å; A89-E91 WeakPolarHBondContact CA-OE2 3.37Å; A89-E91 PolarHBondContact O-N 2.8Å; A89-E91 VanDerWaalsContact O-N 3.14Å; A89-V92 HydrophobicContact CB-CB 4.43Å; A89-V92 HydrophobicContact CB-CG2 4.29Å; A89-V92 WeakPolarHBondContact O-CA 3.4Å; A89-V92 WeakPolarHBondContact O-CB 3.44Å; A89-V92 PolarHBondContact O-N 3.23Å; A89-H93 PolarHBondContact O-N 2.96Å; A89-H93 VanDerWaalsContact O-N 3.12Å; A89-Y179 HydrophobicContact CB-CE2 3.95Å
90T97.7Very high97.2Very high43 Ų4349.2 Ų49.226%0.26427%0.268SS..Hα-helixtrans-59.5-25.1-178.453.10000113.6V50 L88 V92 G94 L95V50-T90 HydrophobicContact CG1-CG2 4.05Å; L88-T90 HydrophobicContact CB-CG2 4.25Å; L88-T90 HydrophobicContact CD1-CG2 4.38Å; T90-V92 PolarHBondContact O-N 2.93Å; T90-G94 WeakPolarHBondContact CA-O 3.48Å; T90-G94 CarbonylContact O-C 3.53Å; T90-G94 WeakPolarHBondContact O-CA 3.32Å; T90-G94 PolarHBondContact O-N 2.82Å; T90-L95 HydrophobicContact CG2-CD2 4.44Å
91E96.5Very high97.1Very high103 Ų10345.8 Ų45.848%0.48126%0.257SS..Hα-helixtrans-65.4-28.5172.968.9-78.4-170.800112.8A89 F242A89-E91 VanDerWaalsContact C-OE2 3.28Å; A89-E91 WeakPolarHBondContact CA-OE2 3.37Å; A89-E91 PolarHBondContact O-N 2.8Å; A89-E91 VanDerWaalsContact O-N 3.14Å; E91-F242 HydrophobicContact CG-CE2 4.07Å
92V97.3Very high96.8Very high22 Ų2251.9 Ų51.913%0.13329%0.289CS..Hα-helixtrans-86.8-49.6178-175.10000110.4A89 T90 R238 N239 F242A89-V92 HydrophobicContact CB-CB 4.43Å; A89-V92 HydrophobicContact CB-CG2 4.29Å; A89-V92 WeakPolarHBondContact O-CA 3.4Å; A89-V92 WeakPolarHBondContact O-CB 3.44Å; A89-V92 PolarHBondContact O-N 3.23Å; T90-V92 PolarHBondContact O-N 2.93Å; V92-R238 CarbonylContact O-C 3.51Å; V92-N239 HydrophobicContact CG1-CB 4.48Å; V92-N239 VanDerWaalsContact O-CA 3.22Å; V92-N239 WeakPolarHBondContact O-CA 3.46Å; V92-N239 PolarHBondContact O-N 2.89Å; V92-F242 HydrophobicContact CB-CD1 4.37Å; V92-F242 HydrophobicContact CB-CG 4.38Å; V92-F242 HydrophobicContact CG1-CD1 4.04Å; V92-F242 HydrophobicContact CG1-CE1 4.49Å; V92-F242 HydrophobicContact CG1-CG 4.37Å; V92-F242 HydrophobicContact CG2-CD1 3.97Å; V92-F242 HydrophobicContact CG2-CD2 4.16Å; V92-F242 HydrophobicContact CG2-CE1 3.8Å; V92-F242 HydrophobicContact CG2-CE2 4Å; V92-F242 HydrophobicContact CG2-CG 4.15Å; V92-F242 HydrophobicContact CG2-CZ 3.82Å
93H97.9Very high96.7Very high8 Ų851.9 Ų51.94%0.03729%0.287CS..Hα-helixtrans-102.5-8.2-168.3-57.7-87000115.1A22 G23 D24 A89 G97 G99A22-H93 HydrophobicContact CB-CB 3.83Å; G23-H93 PolarHBondContact N-ND1 3.49Å; D24-H93 IonicContact OD1-CE1 3.93Å; D24-H93 PolarHBondContact OD1-CE1 3.25Å; D24-H93 IonicContact OD1-ND1 2.76Å; D24-H93 IonicContact OD1-NE2 3.18Å; D24-H93 IonicContact OD2-CE1 2.69Å; A89-H93 PolarHBondContact O-N 2.96Å; A89-H93 VanDerWaalsContact O-N 3.12Å; H93-G97 CarbonylContact O-C 3.39Å; H93-G99 PolarHBondContact O-N 3.48Å
94G97.8Very high96.8Very high1 Ų150.9 Ų50.91%0.0129%0.289CS..  trans90.1172.2-167.400000112.4T90 D96 G97 D100T90-G94 WeakPolarHBondContact CA-O 3.48Å; T90-G94 CarbonylContact O-C 3.53Å; T90-G94 WeakPolarHBondContact O-CA 3.32Å; T90-G94 PolarHBondContact O-N 2.82Å; G94-D96 VanDerWaalsContact C-N 3.32Å; G94-G97 PolarHBondContact O-N 2.8Å; G94-D100 WeakPolarHBondContact CA-OD1 3.31Å; G94-D100 WeakPolarHBondContact CA-OD2 3.27Å
95L97.8Very high96.9Very high135 Ų13552.6 Ų52.671%0.70729%0.29SS*.SBendtrans-68-33.7177.9-65.6177.4000112T90 D100T90-L95 HydrophobicContact CG2-CD2 4.44Å; L95-D100 PolarHBondContact N-OD1 3.22Å
96D97.7Very high96.9Very high16 Ų1647.7 Ų47.79%0.08627%0.266CS..SBendtrans-86.3-7.7177.172.2-0.5000113.6Q54 N58 G94 M98 G99 D100 A101 N102Q54-D96 WeakPolarHBondContact CG-O 3.33Å; Q54-D96 PolarHBondContact NE2-O 2.74Å; N58-D96 PolarHBondContact ND2-O 2.89Å; N58-D96 PolarHBondContact OD1-O 3.42Å; G94-D96 VanDerWaalsContact C-N 3.32Å; D96-M98 PolarHBondContact O-N 2.82Å; D96-M98 VanDerWaalsContact OD1-C 3.24Å; D96-M98 WeakPolarHBondContact OD1-CA 3.29Å; D96-M98 PolarHBondContact OD1-N 2.94Å; D96-G99 PolarHBondContact OD1-N 3.29Å; D96-D100 PolarHBondContact N-OD1 3.42Å; D96-D100 VanDerWaalsContact OD1-CA 3.31Å; D96-D100 WeakPolarHBondContact OD1-CA 3.47Å; D96-D100 PolarHBondContact OD1-N 3.39Å; D96-D100 WeakPolarHBondContact OD2-CA 3.24Å; D96-A101 PolarHBondContact OD2-N 2.82Å; D96-A101 VanDerWaalsContact OD2-N 3.13Å; D96-N102 PolarHBondContact OD2-N 3.47Å
97G98.2Very high96.7Very high0 Ų052.6 Ų52.60%029%0.289CS..SBendtrans72.9-0.4-175.900000114.4A22 G23 V50 H93 G94A22-G97 CarbonylContact C-O 3.58Å; A22-G97 VanDerWaalsContact C-O 3.31Å; A22-G97 WeakPolarHBondContact CA-O 3.13Å; A22-G97 WeakPolarHBondContact CB-O 3.35Å; G23-G97 PolarHBondContact N-O 2.92Å; V50-G97 VanDerWaalsContact CG1-CA 3.47Å; H93-G97 CarbonylContact O-C 3.39Å; G94-G97 PolarHBondContact O-N 2.8Å
98M98.1Very high96.5Very high5 Ų554.9 Ų54.93%0.02529%0.294CS..SBendtrans-127.440.3-177.2-69.4-163.6-68.400111.4V26 N58 Y61 D96 A101 F103 F231 V235V26-M98 HydrophobicContact CG2-CG 4.26Å; V26-M98 HydrophobicContact CG2-SD 4.15Å; N58-M98 HydrophobicContact CB-CE 4.14Å; N58-M98 HydrophobicContact CB-CG 4.18Å; N58-M98 HydrophobicContact CB-SD 3.96Å; N58-M98 WeakPolarHBondContact OD1-CE 3.45Å; Y61-M98 HydrophobicContact CD1-CE 4.25Å; D96-M98 PolarHBondContact O-N 2.82Å; D96-M98 VanDerWaalsContact OD1-C 3.24Å; D96-M98 WeakPolarHBondContact OD1-CA 3.29Å; D96-M98 PolarHBondContact OD1-N 2.94Å; M98-A101 WeakPolarHBondContact O-CB 3.39Å; M98-F103 HydrophobicContact CB-CD2 3.94Å; M98-F103 HydrophobicContact CB-CE2 3.97Å; M98-F103 HydrophobicContact CE-CB 4.2Å; M98-F103 HydrophobicContact CE-CD2 3.73Å; M98-F103 HydrophobicContact CE-CG 4.36Å; M98-F103 HydrophobicContact SD-CD2 4.07Å; M98-F103 HydrophobicContact SD-CE2 4.42Å; M98-F231 HydrophobicContact SD-CE2 4.45Å; M98-F231 HydrophobicContact SD-CZ 4.31Å; M98-V235 CarbonylContact C-O 3.56Å; M98-V235 HydrophobicContact CB-CG1 4.39Å; M98-V235 HydrophobicContact CB-CG2 4.15Å; M98-V235 HydrophobicContact CG-CG1 4.38Å; M98-V235 HydrophobicContact CG-CG2 4.36Å; M98-V235 WeakPolarHBondContact O-CA 3.3Å; M98-V235 HydrophobicContact SD-CG2 4.37Å
99G97.4Very high96Very high2 Ų251.9 Ų51.92%0.02128%0.28CS..THydrogen-bonded Turntrans80.216.6171.600000114.7H93 D96 A101 V235 R238H93-G99 PolarHBondContact O-N 3.48Å; D96-G99 PolarHBondContact OD1-N 3.29Å; G99-A101 PolarHBondContact O-N 2.84Å; G99-V235 WeakPolarHBondContact CA-O 3.34Å; G99-V235 PolarHBondContact N-O 3.44Å; G99-R238 VanDerWaalsContact C-CG 3.41Å; G99-R238 VanDerWaalsContact CA-CG 3.5Å
100D97.7Very high95.8Very high54 Ų5456.1 Ų56.129%0.28931%0.305SS..THydrogen-bonded Turntrans52.833.9-171.3-60.5-43.3000111.9G94 L95 D96 N102 R238G94-D100 WeakPolarHBondContact CA-OD1 3.31Å; G94-D100 WeakPolarHBondContact CA-OD2 3.27Å; L95-D100 PolarHBondContact N-OD1 3.22Å; D96-D100 PolarHBondContact N-OD1 3.42Å; D96-D100 VanDerWaalsContact OD1-CA 3.31Å; D96-D100 WeakPolarHBondContact OD1-CA 3.47Å; D96-D100 PolarHBondContact OD1-N 3.39Å; D96-D100 WeakPolarHBondContact OD2-CA 3.24Å; D100-N102 PolarHBondContact O-N 3.49Å; D100-N102 PolarHBondContact O-ND2 2.96Å; D100-R238 HydrophobicContact CB-CG 4.44Å; D100-R238 WeakPolarHBondContact OD2-CD 3.25Å; D100-R238 IonicContact OD2-NE 2.9Å; D100-R238 PolarHBondContact OD2-NE 3.46Å
101A96.3Very high95.7Very high28 Ų2856.7 Ų56.723%0.23131%0.306CS..  trans-76.2-11.6-177.600000112.3D96 M98 G99 F103 A234D96-A101 PolarHBondContact OD2-N 2.82Å; D96-A101 VanDerWaalsContact OD2-N 3.13Å; M98-A101 WeakPolarHBondContact O-CB 3.39Å; G99-A101 PolarHBondContact O-N 2.84Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-F103 HydrophobicContact CB-CD2 3.81Å; A101-F103 HydrophobicContact CB-CE1 4.33Å; A101-F103 HydrophobicContact CB-CE2 3.37Å; A101-F103 HydrophobicContact CB-CG 4.46Å; A101-F103 HydrophobicContact CB-CZ 3.67Å; A101-F103 PolarHBondContact O-N 2.95Å; A101-A234 HydrophobicContact CB-CB 4.43Å
102N92.5Very high95.5Very high140 Ų14052.3 Ų52.375%0.74929%0.288SS*.  trans55.746.5179.5-62.2-60.5000112.4D96 D100D96-N102 PolarHBondContact OD2-N 3.47Å; D100-N102 PolarHBondContact O-N 3.49Å; D100-N102 PolarHBondContact O-ND2 2.96Å
103F96.6Very high95.3Very high51 Ų5156.8 Ų56.822%0.22432%0.315CS..PPolyproline II helixtrans-58.6145173.9-67.6-67.2000111.2Y61 M98 A101 F231 A234 V235Y61-F103 HydrophobicContact CD1-CB 4.18Å; Y61-F103 HydrophobicContact CD1-CG 4.3Å; Y61-F103 HydrophobicContact CE1-CB 3.71Å; Y61-F103 AromaticContact CE1-CD1 3.64Å; Y61-F103 HydrophobicContact CE1-CD1 3.64Å; Y61-F103 HydrophobicContact CE1-CD2 4.32Å; Y61-F103 HydrophobicContact CE1-CE1 4.33Å; Y61-F103 AromaticContact CE1-CG 3.63Å; Y61-F103 HydrophobicContact CE1-CG 3.63Å; Y61-F103 HydrophobicContact CE2-CB 4.33Å; Y61-F103 AromaticContact CZ-CD1 3.84Å; Y61-F103 WeakPolarHBondContact OH-CD1 3.46Å; M98-F103 HydrophobicContact CB-CD2 3.94Å; M98-F103 HydrophobicContact CB-CE2 3.97Å; M98-F103 HydrophobicContact CE-CB 4.2Å; M98-F103 HydrophobicContact CE-CD2 3.73Å; M98-F103 HydrophobicContact CE-CG 4.36Å; M98-F103 HydrophobicContact SD-CD2 4.07Å; M98-F103 HydrophobicContact SD-CE2 4.42Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-F103 HydrophobicContact CB-CD2 3.81Å; A101-F103 HydrophobicContact CB-CE1 4.33Å; A101-F103 HydrophobicContact CB-CE2 3.37Å; A101-F103 HydrophobicContact CB-CG 4.46Å; A101-F103 HydrophobicContact CB-CZ 3.67Å; A101-F103 PolarHBondContact O-N 2.95Å; F103-F231 HydrophobicContact CD1-CE2 4.46Å; F103-F231 HydrophobicContact CD2-CE2 4.24Å; F103-F231 AromaticContact CE1-CD2 3.82Å; F103-F231 HydrophobicContact CE1-CD2 3.82Å; F103-F231 HydrophobicContact CE1-CE2 4.01Å; F103-F231 HydrophobicContact CE2-CD2 4.14Å; F103-F231 AromaticContact CE2-CE2 3.76Å; F103-F231 HydrophobicContact CE2-CE2 3.76Å; F103-F231 AromaticContact CZ-CD2 3.54Å; F103-F231 HydrophobicContact CZ-CD2 3.54Å; F103-F231 AromaticContact CZ-CE2 3.63Å; F103-F231 HydrophobicContact CZ-CE2 3.63Å; F103-A234 HydrophobicContact CZ-CB 3.79Å; F103-V235 HydrophobicContact CE2-CG2 3.64Å; F103-V235 HydrophobicContact CZ-CG2 4.01Å
104P95.6Very high95.1Very high78 Ų7860.9 Ų60.951%0.50636%0.36SS..PPolyproline II helixtrans-64.1156.4175.227.9-33.6000110.6Y61Y61-P104 VanDerWaalsContact CD2-O 3.26Å; Y61-P104 WeakPolarHBondContact CD2-O 3.45Å; Y61-P104 HydrophobicContact CE2-CG 3.94Å; Y61-P104 VanDerWaalsContact CE2-O 3.32Å; Y61-P104 WeakPolarHBondContact CE2-O 3.44Å
105P94.5Very high95.1Very high90 Ų9063.2 Ų63.258%0.58437%0.37SS*.PPolyproline II helixtrans-59.9151.9174.626.8-34.9000111.3
106P95.4Very high95.1Very high30 Ų3059.9 Ų59.920%0.19535%0.353CS..PPolyproline II helixtrans-59141.2171.527-35.1000110.8L60 E64L60-P106 HydrophobicContact CB-CB 3.85Å; L60-P106 HydrophobicContact CB-CG 3.79Å; L60-P106 HydrophobicContact CD1-CG 4.26Å; E64-P106 WeakPolarHBondContact OE1-CA 3.43Å; E64-P106 WeakPolarHBondContact OE1-CB 3.4Å
107I92.9Very high95.1Very high150 Ų15059.1 Ų59.177%0.76935%0.349SS*.SBendtrans-109.8-41.8-176.8-58.1175.5000111.8E64E64-I107 PolarHBondContact OE1-N 2.81Å; E64-I107 PolarHBondContact OE2-N 2.69Å
108R92.5Very high95.2Very high120 Ų12059.6 Ų59.645%0.45335%0.352SS..SBendtrans-96-39.9-173.7-60.5-178.5-72.6164.1-13.4112.4E64 D67 E69E64-R108 HydrophobicContact CG-CB 4.25Å; E64-R108 PolarHBondContact O-NH2 3.39Å; E64-R108 WeakPolarHBondContact OE1-CA 3.34Å; E64-R108 PolarHBondContact OE1-N 2.84Å; D67-R108 IonicContact OD1-CZ 3.71Å; D67-R108 IonicContact OD1-NH1 3.46Å; D67-R108 PolarHBondContact OD1-NH1 2.84Å; D67-R108 IonicContact OD1-NH2 2.73Å; D67-R108 PolarHBondContact OD1-NH2 3.42Å; E69-R108 HydrophobicContact CG-CB 3.82Å; E69-R108 IonicContact OE1-CZ 3.4Å; E69-R108 VanDerWaalsContact OE1-CZ 3.27Å; E69-R108 IonicContact OE1-NE 3.08Å; E69-R108 IonicContact OE1-NH1 2.97Å; E69-R108 PolarHBondContact OE1-NH1 2.93Å; E69-R108 IonicContact OE2-CZ 2.71Å; E69-R108 IonicContact OE2-NH1 3.51Å; E69-R108 PolarHBondContact OE2-NH1 3.22Å
109A89.1Confident95.2Very high8 Ų860.4 Ų60.47%0.06636%0.358CS..  trans-79.2133.8-176.300000110.6L60 E64 E69L60-A109 HydrophobicContact CB-CB 3.88Å; L60-A109 HydrophobicContact CD2-CB 3.75Å; L60-A109 HydrophobicContact CG-CB 4.38Å; E64-A109 HydrophobicContact CG-CB 3.66Å; E64-A109 WeakPolarHBondContact OE1-CB 3.35Å; E64-A109 PolarHBondContact OE1-N 2.81Å; E69-A109 HydrophobicContact CB-CB 3.52Å; E69-A109 HydrophobicContact CG-CB 4.37Å
110T92.1Very high95.3Very high94 Ų9460.3 Ų60.358%0.57736%0.357SS*.  trans-129.8145.1177.256.80000111R73R73-T110 PolarHBondContact NH1-O 2.63Å
111I95Very high95.3Very high55 Ų5557.7 Ų57.728%0.28234%0.343SS..BIsolated β-bridgetrans-62.9150.1173.9-163.1173.9000111I56 A76I56-I111 HydrophobicContact CD1-CD1 3.78Å; I56-I111 HydrophobicContact CG1-CD1 4.37Å; I56-I111 HydrophobicContact CG2-CD1 4.04Å; A76-I111 HydrophobicContact CB-CD1 3.51Å
112A92.9Very high95.5Very high12 Ų1257.6 Ų57.610%0.09934%0.338CS..  trans-60.2135.916800000111.5R73 V74 Y75R73-A112 HydrophobicContact CG-CB 3.86Å; R73-A112 VanDerWaalsContact CZ-CA 3.49Å; V74-A112 VanDerWaalsContact O-CB 3.23Å; V74-A112 WeakPolarHBondContact O-CB 3.45Å; V74-A112 PolarHBondContact O-N 3.45Å; Y75-A112 HydrophobicContact CD1-CB 3.31Å; Y75-A112 HydrophobicContact CE1-CB 3.52Å; Y75-A112 HydrophobicContact CG-CB 3.95Å
113T92.7Very high95.8Very high116 Ų11654.7 Ų54.771%0.71232%0.317SS*.SBendtrans-111.9144.1174.855.40000109.3E115T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 PolarHBondContact O-N 2.86Å
114G94Very high95.9Very high94 Ų9453.4 Ų53.497%0.96931%0.312SS*.SBendtrans81.2-4.9178.100000116.1
115E97.6Very high96Very high49 Ų4949.7 Ų49.723%0.22929%0.288CS..  trans-144.4129.8176.6-173.7174.6-130.500110.6Y75 T113 A120 R123Y75-E115 HydrophobicContact CD1-CB 4.4Å; Y75-E115 HydrophobicContact CD1-CG 4.4Å; Y75-E115 HydrophobicContact CE1-CB 4.32Å; Y75-E115 HydrophobicContact CE1-CG 4.33Å; Y75-E115 VanDerWaalsContact CE1-OE2 3.26Å; Y75-E115 WeakPolarHBondContact CE1-OE2 3.37Å; T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 PolarHBondContact O-N 2.86Å; E115-A120 HydrophobicContact CG-CB 4.18Å; E115-R123 VanDerWaalsContact CD-NE 3.35Å; E115-R123 WeakPolarHBondContact OE1-CD 3.36Å; E115-R123 IonicContact OE1-CZ 3.7Å; E115-R123 IonicContact OE1-NE 2.71Å; E115-R123 PolarHBondContact OE1-NE 3.47Å; E115-R123 IonicContact OE1-NH2 2.66Å; E115-R123 IonicContact OE2-CZ 3.66Å; E115-R123 IonicContact OE2-NE 3.16Å; E115-R123 PolarHBondContact OE2-NE 2.82Å; E115-R123 VanDerWaalsContact OE2-NE 3.16Å; E115-R123 IonicContact OE2-NH2 3.38Å; E115-R123 PolarHBondContact OE2-NH2 2.82Å
116D98.4Very high96.2Very high66 Ų6647.1 Ų47.135%0.35328%0.278SS..  trans-85.4166.6174.569.678.1000112.3A76 V118 S119 A120 R149A76-D116 WeakPolarHBondContact O-CA 3.4Å; D116-V118 VanDerWaalsContact C-N 3.34Å; D116-V118 PolarHBondContact O-N 3.1Å; D116-V118 WeakPolarHBondContact OD1-CA 3.45Å; D116-V118 VanDerWaalsContact OD1-CB 3.32Å; D116-V118 WeakPolarHBondContact OD1-CB 3.42Å; D116-V118 PolarHBondContact OD1-N 3.16Å; D116-S119 VanDerWaalsContact CG-OG 3.31Å; D116-S119 PolarHBondContact O-N 2.9Å; D116-S119 PolarHBondContact OD1-N 3.4Å; D116-S119 PolarHBondContact OD1-OG 2.86Å; D116-S119 WeakPolarHBondContact OD2-CB 3.36Å; D116-S119 PolarHBondContact OD2-OG 3.38Å; D116-A120 WeakPolarHBondContact O-CB 3.38Å; D116-A120 PolarHBondContact O-N 3.2Å; D116-R149 IonicContact OD2-NH1 2.81Å
117A98.8Very high96.3Very high0 Ų051.6 Ų51.60%030%0.296CS..Hα-helixtrans-55.2-42.7179.800000114.3T44 A76 A120 L121T44-A117 HydrophobicContact CG2-CB 3.65Å; A76-A117 PolarHBondContact O-N 3.33Å; A117-A120 PolarHBondContact O-N 3.48Å; A117-L121 WeakPolarHBondContact O-CB 3.47Å; A117-L121 VanDerWaalsContact O-CG 3.29Å; A117-L121 WeakPolarHBondContact O-CG 3.11Å; A117-L121 PolarHBondContact O-N 3.46Å
118V98.8Very high96.5Very high10 Ų1048.3 Ų48.36%0.06127%0.274CS..Hα-helixtrans-69-44.5-176.8178.90000109.6D116 A120 L121 I122 N142 K145 A146D116-V118 VanDerWaalsContact C-N 3.34Å; D116-V118 PolarHBondContact O-N 3.1Å; D116-V118 WeakPolarHBondContact OD1-CA 3.45Å; D116-V118 VanDerWaalsContact OD1-CB 3.32Å; D116-V118 WeakPolarHBondContact OD1-CB 3.42Å; D116-V118 PolarHBondContact OD1-N 3.16Å; V118-A120 VanDerWaalsContact C-N 3.33Å; V118-A120 PolarHBondContact O-N 3.34Å; V118-L121 PolarHBondContact O-N 2.73Å; V118-I122 HydrophobicContact CG1-CD1 4.07Å; V118-I122 VanDerWaalsContact O-CG1 3.32Å; V118-I122 WeakPolarHBondContact O-CG1 3.37Å; V118-I122 PolarHBondContact O-N 3.34Å; V118-I122 VanDerWaalsContact O-N 3.1Å; V118-N142 HydrophobicContact CG2-CB 4.48Å; V118-K145 HydrophobicContact CG1-CB 4.02Å; V118-K145 HydrophobicContact CG2-CB 3.8Å; V118-K145 HydrophobicContact CG2-CD 4.36Å; V118-A146 HydrophobicContact CG1-CB 4.09Å
119S98.8Very high96.8Very high21 Ų2146 Ų4615%0.14727%0.274CS..Hα-helixtrans-59.1-43.7172.9-620000111.4D116 I122 R123 R149D116-S119 VanDerWaalsContact CG-OG 3.31Å; D116-S119 PolarHBondContact O-N 2.9Å; D116-S119 PolarHBondContact OD1-N 3.4Å; D116-S119 PolarHBondContact OD1-OG 2.86Å; D116-S119 WeakPolarHBondContact OD2-CB 3.36Å; D116-S119 PolarHBondContact OD2-OG 3.38Å; S119-I122 PolarHBondContact O-N 3.03Å; S119-R123 VanDerWaalsContact O-CB 3.32Å; S119-R123 WeakPolarHBondContact O-CB 3.02Å; S119-R123 PolarHBondContact O-N 2.85Å; S119-R149 PolarHBondContact OG-NH1 3.31Å; S119-R149 PolarHBondContact OG-NH2 3.07Å
120A98.8Very high97.2Very high0 Ų047.5 Ų47.50%029%0.291CS..Hα-helixtrans-64.9-43.5177.800000112.7Y75 E115 D116 A117 V118 R123 L124Y75-A120 HydrophobicContact CD1-CB 3.53Å; Y75-A120 HydrophobicContact CD2-CB 3.87Å; Y75-A120 HydrophobicContact CE1-CB 3.64Å; Y75-A120 HydrophobicContact CE2-CB 3.97Å; Y75-A120 HydrophobicContact CG-CB 3.66Å; E115-A120 HydrophobicContact CG-CB 4.18Å; D116-A120 WeakPolarHBondContact O-CB 3.38Å; D116-A120 PolarHBondContact O-N 3.2Å; A117-A120 PolarHBondContact O-N 3.48Å; V118-A120 VanDerWaalsContact C-N 3.33Å; V118-A120 PolarHBondContact O-N 3.34Å; A120-R123 PolarHBondContact O-N 2.9Å; A120-L124 VanDerWaalsContact O-CB 3.26Å; A120-L124 WeakPolarHBondContact O-CB 3.42Å; A120-L124 WeakPolarHBondContact O-CG 3.32Å; A120-L124 PolarHBondContact O-N 2.86Å
121L98.9Very high97.5Very high0 Ų048.2 Ų48.20%029%0.288CS..Hα-helixtrans-57.6-49.2175.6-78.3165.1000111.5I16 T44 A117 V118 T125 I134 N142 I143 A146 F153I16-L121 HydrophobicContact CD1-CD2 4.48Å; I16-L121 HydrophobicContact CG2-CD2 3.91Å; T44-L121 HydrophobicContact CG2-CD1 4.32Å; T44-L121 HydrophobicContact CG2-CD2 4.31Å; T44-L121 HydrophobicContact CG2-CG 3.93Å; A117-L121 WeakPolarHBondContact O-CB 3.47Å; A117-L121 VanDerWaalsContact O-CG 3.29Å; A117-L121 WeakPolarHBondContact O-CG 3.11Å; A117-L121 PolarHBondContact O-N 3.46Å; V118-L121 PolarHBondContact O-N 2.73Å; L121-T125 WeakPolarHBondContact O-CB 3.16Å; L121-T125 WeakPolarHBondContact O-CG2 3.45Å; L121-T125 PolarHBondContact O-N 2.8Å; L121-T125 VanDerWaalsContact O-N 3.11Å; L121-T125 PolarHBondContact O-OG1 2.74Å; L121-I134 HydrophobicContact CD2-CD1 4.06Å; L121-N142 HydrophobicContact CD1-CB 4.11Å; L121-I143 HydrophobicContact CD1-CD1 4.03Å; L121-I143 HydrophobicContact CD2-CD1 4.48Å; L121-A146 HydrophobicContact CB-CB 4.42Å; L121-F153 HydrophobicContact CB-CE2 3.84Å; L121-F153 HydrophobicContact CB-CZ 4.22Å; L121-F153 HydrophobicContact CD2-CZ 4.48Å
122I98.9Very high97.7Very high26 Ų2645.6 Ų45.613%0.13328%0.275CS..Hα-helixtrans-62.4-49178.2-66.7166.8000110.3V118 S119 T125 G126 A146 R149 D150 F153V118-I122 HydrophobicContact CG1-CD1 4.07Å; V118-I122 VanDerWaalsContact O-CG1 3.32Å; V118-I122 WeakPolarHBondContact O-CG1 3.37Å; V118-I122 PolarHBondContact O-N 3.34Å; V118-I122 VanDerWaalsContact O-N 3.1Å; S119-I122 PolarHBondContact O-N 3.03Å; I122-T125 PolarHBondContact O-OG1 3.32Å; I122-G126 PolarHBondContact O-N 3.31Å; I122-A146 HydrophobicContact CD1-CB 4.49Å; I122-A146 HydrophobicContact CG1-CB 4.07Å; I122-R149 HydrophobicContact CD1-CB 3.87Å; I122-R149 HydrophobicContact CD1-CG 3.86Å; I122-D150 HydrophobicContact CD1-CB 4.09Å; I122-D150 HydrophobicContact CG1-CB 4.14Å; I122-D150 HydrophobicContact CG2-CB 3.88Å; I122-D150 WeakPolarHBondContact CG2-OD2 3.35Å; I122-F153 HydrophobicContact CG1-CD2 4.39Å
123R98.7Very high98Very high79 Ų7945.1 Ų45.130%0.29827%0.27SS..Hα-helixtrans-62.5-49.1-179-178.3-177.156.468.1-0.5112Y75 E115 S119 A120 G126 Q127Y75-R123 PolarHBondContact OH-NH2 2.83Å; E115-R123 VanDerWaalsContact CD-NE 3.35Å; E115-R123 WeakPolarHBondContact OE1-CD 3.36Å; E115-R123 IonicContact OE1-CZ 3.7Å; E115-R123 IonicContact OE1-NE 2.71Å; E115-R123 PolarHBondContact OE1-NE 3.47Å; E115-R123 IonicContact OE1-NH2 2.66Å; E115-R123 IonicContact OE2-CZ 3.66Å; E115-R123 IonicContact OE2-NE 3.16Å; E115-R123 PolarHBondContact OE2-NE 2.82Å; E115-R123 VanDerWaalsContact OE2-NE 3.16Å; E115-R123 IonicContact OE2-NH2 3.38Å; E115-R123 PolarHBondContact OE2-NH2 2.82Å; S119-R123 VanDerWaalsContact O-CB 3.32Å; S119-R123 WeakPolarHBondContact O-CB 3.02Å; S119-R123 PolarHBondContact O-N 2.85Å; A120-R123 PolarHBondContact O-N 2.9Å; R123-G126 PolarHBondContact O-N 3.01Å; R123-Q127 HydrophobicContact CG-CG 4.36Å; R123-Q127 WeakPolarHBondContact O-CB 3.45Å; R123-Q127 VanDerWaalsContact O-CG 3.24Å; R123-Q127 WeakPolarHBondContact O-CG 3.32Å; R123-Q127 PolarHBondContact O-N 2.87Å
124L98.7Very high98.3Very high23 Ų2339.6 Ų39.612%0.1224%0.236CC..Hα-helixtrans-64.3-44.7-176.2-71.3168.5000111.4I16 A42 A120 R128 L132I16-L124 HydrophobicContact CD1-CB 3.79Å; I16-L124 HydrophobicContact CD1-CD1 3.68Å; I16-L124 HydrophobicContact CD1-CG 4.38Å; I16-L124 HydrophobicContact CG1-CD1 4.34Å; A42-L124 HydrophobicContact CB-CD1 3.86Å; A120-L124 VanDerWaalsContact O-CB 3.26Å; A120-L124 WeakPolarHBondContact O-CB 3.42Å; A120-L124 WeakPolarHBondContact O-CG 3.32Å; A120-L124 PolarHBondContact O-N 2.86Å; L124-R128 PolarHBondContact O-N 3.11Å; L124-L132 HydrophobicContact CB-CD1 3.91Å; L124-L132 VanDerWaalsContact O-CD1 3.31Å; L124-L132 WeakPolarHBondContact O-CD1 3.32Å
125T98.6Very high98.5Very high0 Ų035.1 Ų35.10%019%0.19CC..Hα-helixtrans-69.1-39176.556.60000111.8L121 I122 Q127 R128 P129 L132 I134 F153L121-T125 WeakPolarHBondContact O-CB 3.16Å; L121-T125 WeakPolarHBondContact O-CG2 3.45Å; L121-T125 PolarHBondContact O-N 2.8Å; L121-T125 VanDerWaalsContact O-N 3.11Å; L121-T125 PolarHBondContact O-OG1 2.74Å; I122-T125 PolarHBondContact O-OG1 3.32Å; T125-Q127 PolarHBondContact O-N 2.61Å; T125-R128 CarbonylContact O-C 3.51Å; T125-R128 PolarHBondContact O-N 3.45Å; T125-P129 WeakPolarHBondContact O-CA 3.29Å; T125-P129 VanDerWaalsContact O-N 3.1Å; T125-L132 HydrophobicContact CG2-CD1 4.35Å; T125-I134 HydrophobicContact CG2-CD1 4.05Å; T125-F153 HydrophobicContact CG2-CD2 4.3Å; T125-F153 HydrophobicContact CG2-CE2 3.87Å; T125-F153 WeakPolarHBondContact OG1-CD2 3.42Å
126G98.6Very high98.5Very high36 Ų3632.8 Ų32.837%0.37118%0.179SC..Hα-helixtrans-66.5-31.717600000114.3I122 R123 R128I122-G126 PolarHBondContact O-N 3.31Å; R123-G126 PolarHBondContact O-N 3.01Å; G126-R128 VanDerWaalsContact C-N 3.32Å
127Q98.3Very high98.6Very high125 Ų12529.7 Ų29.758%0.58416%0.163SC*.Hα-helixtrans-74.1-22.3173.7-75.5174.5-13.400113R123 T125R123-Q127 HydrophobicContact CG-CG 4.36Å; R123-Q127 WeakPolarHBondContact O-CB 3.45Å; R123-Q127 VanDerWaalsContact O-CG 3.24Å; R123-Q127 WeakPolarHBondContact O-CG 3.32Å; R123-Q127 PolarHBondContact O-N 2.87Å; T125-Q127 PolarHBondContact O-N 2.61Å
128R97.1Very high98.6Very high81 Ų8129.7 Ų29.731%0.30616%0.163SC..SBendtrans-13860-176.5-58.5-176.2-175.3176.27.2111.4D14 L124 T125 G126 G130 Q131 L132D14-R128 IonicContact OD2-NH1 2.94Å; D14-R128 PolarHBondContact OD2-NH1 3.2Å; L124-R128 PolarHBondContact O-N 3.11Å; T125-R128 CarbonylContact O-C 3.51Å; T125-R128 PolarHBondContact O-N 3.45Å; G126-R128 VanDerWaalsContact C-N 3.32Å; R128-G130 PolarHBondContact O-N 3.48Å; R128-Q131 HydrophobicContact CB-CB 4.07Å; R128-Q131 HydrophobicContact CB-CG 4.4Å; R128-Q131 WeakPolarHBondContact O-CB 3.5Å; R128-Q131 PolarHBondContact O-N 3.14Å; R128-Q131 VanDerWaalsContact O-N 3.1Å; R128-L132 HydrophobicContact CB-CD2 4.38Å; R128-L132 HydrophobicContact CB-CG 4.15Å
129P98Very high98.6Very high70 Ų7029.2 Ų29.246%0.45516%0.16SC..THydrogen-bonded Turntrans-61.6131.9-17326.6-35.4000110.9T125 Q131 N156T125-P129 WeakPolarHBondContact O-CA 3.29Å; T125-P129 VanDerWaalsContact O-N 3.1Å; P129-Q131 VanDerWaalsContact C-N 3.27Å; P129-Q131 PolarHBondContact O-N 2.88Å; P129-N156 HydrophobicContact CB-CB 4.25Å; P129-N156 WeakPolarHBondContact CB-OD1 3.38Å
130G97.9Very high98.6Very high41 Ų4128.2 Ų28.242%0.42315%0.153SC..THydrogen-bonded Turntrans72.812.7-179.100000114.8R128 N156 K158R128-G130 PolarHBondContact O-N 3.48Å; G130-N156 PolarHBondContact N-O 3.47Å; G130-K158 WeakPolarHBondContact O-CB 3.41Å; G130-K158 WeakPolarHBondContact O-CD 3.38Å; G130-K158 WeakPolarHBondContact O-CG 3.22Å
131Q98.2Very high98.6Very high109 Ų10928.2 Ų28.251%0.50915%0.153SC..THydrogen-bonded Turntrans-111.3-33.9-177.5-55.7-177.731.300114.1R128 P129 K158R128-Q131 HydrophobicContact CB-CB 4.07Å; R128-Q131 HydrophobicContact CB-CG 4.4Å; R128-Q131 WeakPolarHBondContact O-CB 3.5Å; R128-Q131 PolarHBondContact O-N 3.14Å; R128-Q131 VanDerWaalsContact O-N 3.1Å; P129-Q131 VanDerWaalsContact C-N 3.27Å; P129-Q131 PolarHBondContact O-N 2.88Å; Q131-K158 WeakPolarHBondContact O-CD 3.32Å
132L98.6Very high98.6Very high0 Ų028.2 Ų28.20%015%0.153CC..  trans-88.3133.8-172-57.7-170.8000112.9D14 I16 L41 L124 T125 R128 K158D14-L132 HydrophobicContact CB-CD2 3.62Å; I16-L132 HydrophobicContact CD1-CD1 3.81Å; L41-L132 HydrophobicContact CD1-CD2 3.58Å; L124-L132 HydrophobicContact CB-CD1 3.91Å; L124-L132 VanDerWaalsContact O-CD1 3.31Å; L124-L132 WeakPolarHBondContact O-CD1 3.32Å; T125-L132 HydrophobicContact CG2-CD1 4.35Å; R128-L132 HydrophobicContact CB-CD2 4.38Å; R128-L132 HydrophobicContact CB-CG 4.15Å; L132-K158 WeakPolarHBondContact O-CB 3.08Å; L132-K158 PolarHBondContact O-N 2.86Å
133T98.8Very high98.6Very high1 Ų127 Ų271%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-92.1139165.5-59.10000108.8V13 D14 L15 I16 R159 F161V13-T133 HydrophobicContact CG1-CG2 4.19Å; D14-T133 PolarHBondContact O-N 3.43Å; L15-T133 WeakPolarHBondContact CA-O 3.23Å; L15-T133 HydrophobicContact CD1-CG2 3.98Å; I16-T133 PolarHBondContact N-O 3.12Å; T133-R159 CarbonylContact C-O 3.3Å; T133-R159 VanDerWaalsContact CA-O 3.32Å; T133-R159 WeakPolarHBondContact CA-O 3.48Å; T133-R159 HydrophobicContact CG2-CB 4.03Å; T133-R159 PolarHBondContact OG1-NE 2.9Å; T133-F161 HydrophobicContact CG2-CD2 3.63Å; T133-F161 HydrophobicContact CG2-CE2 3.88Å
134I98.9Very high98.6Very high0 Ų023.2 Ų23.20%013%0.132CC..EExtended strand (participates in β ladder)trans-114.7129.5172.9-59.3174.2000107.7I16 L121 T125 I143 F153 T157 R159 L160 F161I16-I134 HydrophobicContact CB-CG1 4.4Å; I16-I134 CarbonylContact O-C 3.55Å; I16-I134 WeakPolarHBondContact O-CA 3.42Å; L121-I134 HydrophobicContact CD2-CD1 4.06Å; T125-I134 HydrophobicContact CG2-CD1 4.05Å; I134-I143 HydrophobicContact CG2-CD1 4.01Å; I134-F153 HydrophobicContact CD1-CE2 3.99Å; I134-F153 HydrophobicContact CD1-CZ 3.65Å; I134-T157 HydrophobicContact CD1-CG2 3.81Å; I134-T157 HydrophobicContact CG1-CG2 4.06Å; I134-R159 PolarHBondContact N-O 2.8Å; I134-L160 HydrophobicContact CB-CD1 3.99Å; I134-L160 HydrophobicContact CG2-CD1 3.95Å; I134-F161 PolarHBondContact O-N 3.17Å
135L98.9Very high98.6Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-99.8109.7163.5169.955000107.8L15 I16 I17 D18 Q137 F161 V259 M260 I263L15-L135 HydrophobicContact CD1-CB 4.06Å; I16-L135 PolarHBondContact O-N 3.25Å; I17-L135 CarbonylContact C-O 3.59Å; I17-L135 WeakPolarHBondContact CA-O 3.49Å; I17-L135 HydrophobicContact CG1-CB 4.22Å; I17-L135 HydrophobicContact CG1-CD2 4.34Å; D18-L135 PolarHBondContact N-O 3.11Å; L135-Q137 HydrophobicContact CD1-CB 4.33Å; L135-Q137 VanDerWaalsContact CD2-OE1 3.27Å; L135-Q137 HydrophobicContact CG-CB 4.32Å; L135-Q137 HydrophobicContact CG-CG 4.48Å; L135-F161 HydrophobicContact CD1-CB 4.17Å; L135-V259 HydrophobicContact CD1-CB 3.98Å; L135-V259 HydrophobicContact CD1-CG1 3.41Å; L135-V259 VanDerWaalsContact CD1-CG1 3.41Å; L135-M260 HydrophobicContact CD2-CB 4.2Å; L135-M260 HydrophobicContact CD2-SD 4.19Å; L135-I263 HydrophobicContact CB-CD1 3.84Å; L135-I263 HydrophobicContact CD1-CD1 4.08Å; L135-I263 HydrophobicContact CD2-CD1 4.11Å; L135-I263 HydrophobicContact CG-CD1 4.24Å
136A98.9Very high98.6Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-96.8104.9171.300000108.4L140 I143 L160 F161 I162 M163A136-L140 HydrophobicContact CB-CD2 3.52Å; A136-I143 HydrophobicContact CB-CD1 4.35Å; A136-I143 HydrophobicContact CB-CG1 3.89Å; A136-L160 HydrophobicContact CB-CD1 4.12Å; A136-F161 PolarHBondContact N-O 3.48Å; A136-I162 WeakPolarHBondContact O-CA 3.39Å; A136-M163 PolarHBondContact O-N 2.57Å
137Q98.8Very high98.6Very high1 Ų124.8 Ų24.81%0.00513%0.13CC..  trans-115.95.6-178.564.3-177.336.600112.7I17 D18 A19 D25 S28 L135 M163 N180 D256I17-Q137 HydrophobicContact CG2-CG 4.08Å; D18-Q137 WeakPolarHBondContact O-CG 3.4Å; D18-Q137 PolarHBondContact O-N 3.32Å; A19-Q137 HydrophobicContact CB-CG 4.24Å; D25-Q137 WeakPolarHBondContact OD1-CG 3.4Å; D25-Q137 PolarHBondContact OD1-NE2 3.27Å; S28-Q137 PolarHBondContact OG-OE1 3.05Å; L135-Q137 HydrophobicContact CD1-CB 4.33Å; L135-Q137 VanDerWaalsContact CD2-OE1 3.27Å; L135-Q137 HydrophobicContact CG-CB 4.32Å; L135-Q137 HydrophobicContact CG-CG 4.48Å; Q137-M163 HydrophobicContact CB-CB 4.12Å; Q137-N180 VanDerWaalsContact C-ND2 3.35Å; Q137-N180 PolarHBondContact O-ND2 3.48Å; Q137-D256 HydrophobicContact CB-CB 4.33Å
138A98.8Very high98.6Very high0 Ų024.6 Ų24.60%013%0.131CC..SBendtrans-106.7175.3172.900000112D18 A19 D20 C46 L140 N180D18-A138 PolarHBondContact O-N 3.32Å; A19-A138 VanDerWaalsContact C-CB 3.46Å; D20-A138 HydrophobicContact CB-CB 3.8Å; D20-A138 WeakPolarHBondContact OD1-CA 3.23Å; C46-A138 HydrophobicContact CB-CB 3.74Å; A138-L140 PolarHBondContact O-N 3.33Å; A138-N180 VanDerWaalsContact C-CG 3.41Å; A138-N180 VanDerWaalsContact C-OD1 3.26Å
139P98.9Very high98.7Very high0 Ų028.2 Ų28.20%014%0.144CC..  trans-50131161.6-28.137.6000110.7C46 M47 T141 N180 V183 D184C46-P139 PolarHBondContact SG-O 2.83Å; M47-P139 HydrophobicContact CE-CB 3.81Å; M47-P139 HydrophobicContact CE-CG 4.4Å; M47-P139 WeakPolarHBondContact O-CD 3.26Å; M47-P139 VanDerWaalsContact O-CG 3.29Å; M47-P139 WeakPolarHBondContact O-CG 3.27Å; P139-T141 PolarHBondContact O-N 2.9Å; P139-N180 VanDerWaalsContact CD-OD1 3.27Å; P139-N180 WeakPolarHBondContact CD-OD1 3.42Å; P139-V183 HydrophobicContact CB-CB 4.11Å; P139-V183 HydrophobicContact CB-CG1 3.89Å; P139-V183 HydrophobicContact CG-CB 3.74Å; P139-V183 HydrophobicContact CG-CG1 3.61Å; P139-V183 HydrophobicContact CG-CG2 4.25Å; P139-D184 HydrophobicContact CB-CB 4.4Å
140L98.9Very high98.8Very high0 Ų026.5 Ų26.50%013%0.131CC..THydrogen-bonded Turntrans-72.716.8-163.5-62.9-180000115.2A136 A138 N142 I143 A144 I162 F181 A187 A188 V191A136-L140 HydrophobicContact CB-CD2 3.52Å; A138-L140 PolarHBondContact O-N 3.33Å; L140-N142 PolarHBondContact O-N 2.81Å; L140-I143 PolarHBondContact O-N 2.78Å; L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.1Å; L140-I162 HydrophobicContact CD1-CD1 4.17Å; L140-I162 HydrophobicContact CD1-CG2 4.17Å; L140-I162 HydrophobicContact CD2-CG2 4.25Å; L140-F181 HydrophobicContact CD1-CE2 4.02Å; L140-F181 HydrophobicContact CD1-CZ 4.23Å; L140-A187 HydrophobicContact CB-CB 4.32Å; L140-A188 HydrophobicContact CD1-CB 4.03Å; L140-V191 HydrophobicContact CB-CG2 4.07Å; L140-V191 HydrophobicContact CD1-CB 4.24Å; L140-V191 HydrophobicContact CD1-CG1 4.25Å
141T98.9Very high98.7Very high0 Ų030 Ų300%015%0.147CC..Hα-helixtrans-59.8-45.4-173-39.40000113.1C46 M47 L82 P139 I143 A144 K145 D184C46-T141 VanDerWaalsContact SG-CB 3.56Å; M47-T141 WeakPolarHBondContact CE-OG1 3.34Å; M47-T141 HydrophobicContact SD-CG2 4.33Å; M47-T141 PolarHBondContact SD-OG1 3.04Å; L82-T141 HydrophobicContact CD2-CG2 4.07Å; L82-T141 HydrophobicContact CG-CG2 4.14Å; P139-T141 PolarHBondContact O-N 2.9Å; T141-I143 VanDerWaalsContact C-N 3.34Å; T141-A144 PolarHBondContact O-N 2.8Å; T141-K145 HydrophobicContact CG2-CD 4.39Å; T141-K145 WeakPolarHBondContact O-CB 3.37Å; T141-K145 WeakPolarHBondContact O-CG 3.44Å; T141-K145 PolarHBondContact O-N 3Å; T141-D184 PolarHBondContact OG1-OD2 2.85Å; T141-D184 VanDerWaalsContact OG1-OD2 3.04Å
142N98.9Very high98.7Very high0 Ų028.4 Ų28.40%014%0.142CC..Hα-helixtrans-63.9-43.3178.6-75.2-17.1000110.8D18 V45 C46 S78 V118 L121 L140 K145 A146D18-N142 WeakPolarHBondContact OD1-CB 3.33Å; D18-N142 PolarHBondContact OD1-ND2 2.89Å; V45-N142 PolarHBondContact O-ND2 2.8Å; V45-N142 VanDerWaalsContact O-ND2 3.16Å; C46-N142 WeakPolarHBondContact CB-ND2 3.41Å; C46-N142 PolarHBondContact N-ND2 2.73Å; S78-N142 VanDerWaalsContact CB-OD1 3.28Å; S78-N142 WeakPolarHBondContact CB-OD1 3.45Å; S78-N142 PolarHBondContact N-OD1 3.25Å; S78-N142 PolarHBondContact OG-OD1 3.32Å; V118-N142 HydrophobicContact CG2-CB 4.48Å; L121-N142 HydrophobicContact CD1-CB 4.11Å; L140-N142 PolarHBondContact O-N 2.81Å; N142-K145 PolarHBondContact O-N 3.1Å; N142-A146 WeakPolarHBondContact O-CB 3.31Å; N142-A146 PolarHBondContact O-N 2.96Å
143I98.9Very high98.7Very high0 Ų028.4 Ų28.40%014%0.142CC..Hα-helixtrans-63.7-45.9177.2-50.1-53.2000110.6D18 L121 I134 A136 L140 T141 K145 A146 V147 F153 L160 V191 F196D18-I143 HydrophobicContact CB-CD1 4.05Å; L121-I143 HydrophobicContact CD1-CD1 4.03Å; L121-I143 HydrophobicContact CD2-CD1 4.48Å; I134-I143 HydrophobicContact CG2-CD1 4.01Å; A136-I143 HydrophobicContact CB-CD1 4.35Å; A136-I143 HydrophobicContact CB-CG1 3.89Å; L140-I143 PolarHBondContact O-N 2.78Å; T141-I143 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 3.45Å; I143-A146 WeakPolarHBondContact O-CB 3.35Å; I143-A146 PolarHBondContact O-N 2.72Å; I143-V147 WeakPolarHBondContact O-CG2 3.2Å; I143-V147 PolarHBondContact O-N 3.3Å; I143-F153 HydrophobicContact CG2-CE1 4.02Å; I143-L160 HydrophobicContact CG2-CD2 4.32Å; I143-V191 HydrophobicContact CB-CG2 3.83Å; I143-V191 HydrophobicContact CG2-CB 4.47Å; I143-V191 HydrophobicContact CG2-CG1 3.97Å; I143-V191 HydrophobicContact CG2-CG2 3.6Å; I143-F196 HydrophobicContact CG2-CE2 4.46Å; I143-F196 HydrophobicContact CG2-CZ 3.99Å
144A98.9Very high98.7Very high0 Ų028.6 Ų28.60%014%0.143CC..Hα-helixtrans-61.8-44.5177.300000112L82 L140 T141 A146 V147 M148 A187 I190 V191L82-A144 HydrophobicContact CD1-CB 3.99Å; L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.1Å; T141-A144 PolarHBondContact O-N 2.8Å; A144-A146 VanDerWaalsContact C-N 3.3Å; A144-A146 PolarHBondContact O-N 3.39Å; A144-V147 WeakPolarHBondContact O-CB 3.33Å; A144-V147 PolarHBondContact O-N 3.36Å; A144-M148 VanDerWaalsContact O-CG 3.25Å; A144-M148 WeakPolarHBondContact O-CG 3.42Å; A144-M148 PolarHBondContact O-N 2.88Å; A144-A187 HydrophobicContact CB-CB 3.6Å; A144-I190 HydrophobicContact CB-CB 4.12Å; A144-I190 HydrophobicContact CB-CD1 4.49Å; A144-I190 HydrophobicContact CB-CG2 3.99Å; A144-V191 HydrophobicContact CB-CG2 4.02Å
145K98.9Very high98.7Very high65 Ų6538 Ų3828%0.28318%0.179SC..Hα-helixtrans-63.6-35.8175.6-74.3-179.5-174.5165.90112.2S78 L82 V118 T141 N142 I143 M148 R149S78-K145 WeakPolarHBondContact OG-CD 3.48Å; S78-K145 WeakPolarHBondContact OG-CE 3.26Å; S78-K145 PolarHBondContact OG-NZ 3.32Å; L82-K145 HydrophobicContact CD2-CD 4.39Å; L82-K145 HydrophobicContact CD2-CG 3.89Å; V118-K145 HydrophobicContact CG1-CB 4.02Å; V118-K145 HydrophobicContact CG2-CB 3.8Å; V118-K145 HydrophobicContact CG2-CD 4.36Å; T141-K145 HydrophobicContact CG2-CD 4.39Å; T141-K145 WeakPolarHBondContact O-CB 3.37Å; T141-K145 WeakPolarHBondContact O-CG 3.44Å; T141-K145 PolarHBondContact O-N 3Å; N142-K145 PolarHBondContact O-N 3.1Å; I143-K145 PolarHBondContact O-N 3.45Å; K145-M148 PolarHBondContact O-N 2.71Å; K145-R149 VanDerWaalsContact O-CB 3.26Å; K145-R149 WeakPolarHBondContact O-CB 3.41Å; K145-R149 PolarHBondContact O-N 3.22Å
146A98.9Very high98.7Very high0 Ų039.1 Ų39.10%019%0.185CC..Hα-helixtrans-64.4-45.8174.800000111.3V118 L121 I122 N142 I143 A144 M148 R149 D150 F153V118-A146 HydrophobicContact CG1-CB 4.09Å; L121-A146 HydrophobicContact CB-CB 4.42Å; I122-A146 HydrophobicContact CD1-CB 4.49Å; I122-A146 HydrophobicContact CG1-CB 4.07Å; N142-A146 WeakPolarHBondContact O-CB 3.31Å; N142-A146 PolarHBondContact O-N 2.96Å; I143-A146 WeakPolarHBondContact O-CB 3.35Å; I143-A146 PolarHBondContact O-N 2.72Å; A144-A146 VanDerWaalsContact C-N 3.3Å; A144-A146 PolarHBondContact O-N 3.39Å; A146-M148 VanDerWaalsContact C-N 3.34Å; A146-M148 PolarHBondContact O-N 3Å; A146-R149 PolarHBondContact O-N 3.25Å; A146-D150 PolarHBondContact O-N 2.88Å; A146-F153 HydrophobicContact CB-CD1 3.59Å; A146-F153 HydrophobicContact CB-CD2 4.04Å; A146-F153 HydrophobicContact CB-CE1 3.54Å; A146-F153 HydrophobicContact CB-CE2 4.01Å; A146-F153 HydrophobicContact CB-CG 3.84Å; A146-F153 HydrophobicContact CB-CZ 3.76Å
147V98.8Very high98.6Very high27 Ų2739.3 Ų39.316%0.16419%0.186CC..Hα-helixtrans-57.6-44.9173.1170.70000111.6I143 A144 R149 D150 F153 I190 A194 F196I143-V147 WeakPolarHBondContact O-CG2 3.2Å; I143-V147 PolarHBondContact O-N 3.3Å; A144-V147 WeakPolarHBondContact O-CB 3.33Å; A144-V147 PolarHBondContact O-N 3.36Å; V147-R149 VanDerWaalsContact C-N 3.32Å; V147-R149 PolarHBondContact O-N 2.8Å; V147-D150 CarbonylContact O-C 3.22Å; V147-F153 HydrophobicContact CG2-CD1 3.79Å; V147-F153 HydrophobicContact CG2-CE1 4.29Å; V147-I190 HydrophobicContact CB-CG2 4.37Å; V147-I190 HydrophobicContact CG1-CG2 4.11Å; V147-A194 HydrophobicContact CB-CB 4.28Å; V147-A194 HydrophobicContact CG1-CB 3.61Å; V147-A194 HydrophobicContact CG2-CB 3.63Å; V147-F196 HydrophobicContact CG2-CE2 3.99Å; V147-F196 HydrophobicContact CG2-CZ 4Å
148M98.7Very high98.6Very high122 Ų12241.2 Ų41.260%0.60119%0.194SC*.Hα-helixtrans-67.1-32.5-179.5-70.4169.86600113L82 A144 K145 A146 I190L82-M148 HydrophobicContact CD1-SD 4.3Å; A144-M148 VanDerWaalsContact O-CG 3.25Å; A144-M148 WeakPolarHBondContact O-CG 3.42Å; A144-M148 PolarHBondContact O-N 2.88Å; K145-M148 PolarHBondContact O-N 2.71Å; A146-M148 VanDerWaalsContact C-N 3.34Å; A146-M148 PolarHBondContact O-N 3Å; M148-I190 HydrophobicContact CG-CD1 4.49Å; M148-I190 HydrophobicContact CG-CG2 4.43Å; M148-I190 HydrophobicContact SD-CD1 3.89Å
149R98.7Very high98.6Very high156 Ų15642.2 Ų42.259%0.58920%0.198SC*.Hα-helixtrans-89-30.4-175.6-176.5173.1174-167.1-6.2113.3D116 S119 I122 K145 A146 V147D116-R149 IonicContact OD2-NH1 2.81Å; S119-R149 PolarHBondContact OG-NH1 3.31Å; S119-R149 PolarHBondContact OG-NH2 3.07Å; I122-R149 HydrophobicContact CD1-CB 3.87Å; I122-R149 HydrophobicContact CD1-CG 3.86Å; K145-R149 VanDerWaalsContact O-CB 3.26Å; K145-R149 WeakPolarHBondContact O-CB 3.41Å; K145-R149 PolarHBondContact O-N 3.22Å; A146-R149 PolarHBondContact O-N 3.25Å; V147-R149 VanDerWaalsContact C-N 3.32Å; V147-R149 PolarHBondContact O-N 2.8Å
150D98.6Very high98.6Very high34 Ų3442.2 Ų42.218%0.18220%0.198CC..  trans-136.5108.6174.3-1770.1000111.4I122 A146 V147 N152 F153I122-D150 HydrophobicContact CD1-CB 4.09Å; I122-D150 HydrophobicContact CG1-CB 4.14Å; I122-D150 HydrophobicContact CG2-CB 3.88Å; I122-D150 WeakPolarHBondContact CG2-OD2 3.35Å; A146-D150 PolarHBondContact O-N 2.88Å; V147-D150 CarbonylContact O-C 3.22Å; D150-N152 PolarHBondContact O-N 2.86Å; D150-N152 WeakPolarHBondContact OD1-CB 3.38Å; D150-N152 PolarHBondContact OD1-N 3.29Å; D150-N152 PolarHBondContact OD1-ND2 3.08Å; D150-F153 HydrophobicContact CB-CB 4.37Å; D150-F153 WeakPolarHBondContact O-CB 3.5Å; D150-F153 PolarHBondContact O-N 3.05Å
151P96.2Very high98.6Very high114 Ų11442.2 Ų42.274%0.7420%0.198SC*.THydrogen-bonded Turntrans-58.1-20.2176.1-25.434.9000114.7
152N98.4Very high98.6Very high77 Ų7742.2 Ų42.241%0.41220%0.198SC..THydrogen-bonded Turntrans-83.5-11.8176.4-60.5-70000113D150 A154 R155 N156D150-N152 PolarHBondContact O-N 2.86Å; D150-N152 WeakPolarHBondContact OD1-CB 3.38Å; D150-N152 PolarHBondContact OD1-N 3.29Å; D150-N152 PolarHBondContact OD1-ND2 3.08Å; N152-A154 VanDerWaalsContact C-N 3.34Å; N152-A154 PolarHBondContact O-N 2.96Å; N152-R155 CarbonylContact O-C 3.55Å; N152-R155 PolarHBondContact O-N 2.9Å; N152-R155 VanDerWaalsContact O-N 3.09Å; N152-N156 WeakPolarHBondContact O-CB 3.33Å; N152-N156 PolarHBondContact O-N 3.49Å; N152-N156 PolarHBondContact O-ND2 3.38Å
153F98.8Very high98.6Very high0 Ų042.4 Ų42.40%020%0.199CC..Hα-helixtrans-55.1-47.2-175.8173.6-110.5000112.5L121 I122 T125 I134 I143 A146 V147 D150 R155 N156 T157 F196L121-F153 HydrophobicContact CB-CE2 3.84Å; L121-F153 HydrophobicContact CB-CZ 4.22Å; L121-F153 HydrophobicContact CD2-CZ 4.48Å; I122-F153 HydrophobicContact CG1-CD2 4.39Å; T125-F153 HydrophobicContact CG2-CD2 4.3Å; T125-F153 HydrophobicContact CG2-CE2 3.87Å; T125-F153 WeakPolarHBondContact OG1-CD2 3.42Å; I134-F153 HydrophobicContact CD1-CE2 3.99Å; I134-F153 HydrophobicContact CD1-CZ 3.65Å; I143-F153 HydrophobicContact CG2-CE1 4.02Å; A146-F153 HydrophobicContact CB-CD1 3.59Å; A146-F153 HydrophobicContact CB-CD2 4.04Å; A146-F153 HydrophobicContact CB-CE1 3.54Å; A146-F153 HydrophobicContact CB-CE2 4.01Å; A146-F153 HydrophobicContact CB-CG 3.84Å; A146-F153 HydrophobicContact CB-CZ 3.76Å; V147-F153 HydrophobicContact CG2-CD1 3.79Å; V147-F153 HydrophobicContact CG2-CE1 4.29Å; D150-F153 HydrophobicContact CB-CB 4.37Å; D150-F153 WeakPolarHBondContact O-CB 3.5Å; D150-F153 PolarHBondContact O-N 3.05Å; F153-R155 VanDerWaalsContact C-N 3.33Å; F153-R155 PolarHBondContact O-N 3.1Å; F153-N156 PolarHBondContact O-N 3.35Å; F153-T157 PolarHBondContact O-N 3.33Å; F153-T157 PolarHBondContact O-OG1 3.23Å; F153-F196 HydrophobicContact CD1-CE1 4.48Å; F153-F196 HydrophobicContact CD1-CZ 4.12Å; F153-F196 HydrophobicContact CE1-CE1 4.21Å; F153-F196 AromaticContact CE1-CZ 3.86Å; F153-F196 HydrophobicContact CE1-CZ 3.86Å
154A98.6Very high98.6Very high4 Ų442.4 Ų42.43%0.03320%0.199CC..Hα-helixtrans-64.4-37.3178.600000112.6N152 A194 F196N152-A154 VanDerWaalsContact C-N 3.34Å; N152-A154 PolarHBondContact O-N 2.96Å; A154-A194 HydrophobicContact CB-CB 4.27Å; A154-A194 WeakPolarHBondContact CB-O 3.38Å; A154-F196 HydrophobicContact CB-CD1 3.93Å; A154-F196 HydrophobicContact CB-CD2 4.02Å; A154-F196 HydrophobicContact CB-CE1 3.94Å; A154-F196 HydrophobicContact CB-CE2 4Å; A154-F196 HydrophobicContact CB-CG 3.97Å; A154-F196 HydrophobicContact CB-CZ 3.96Å
155R98.3Very high98.6Very high197 Ų19742.5 Ų42.574%0.74320%0.2SC*.Hα-helixtrans-71.5-36.4176.7-176.9-177.6177.3-155.7-0.2112.5N152 F153 T157N152-R155 CarbonylContact O-C 3.55Å; N152-R155 PolarHBondContact O-N 2.9Å; N152-R155 VanDerWaalsContact O-N 3.09Å; F153-R155 VanDerWaalsContact C-N 3.33Å; F153-R155 PolarHBondContact O-N 3.1Å; R155-T157 VanDerWaalsContact C-N 3.31Å
156N98.7Very high98.5Very high25 Ų2539.7 Ų39.713%0.13419%0.188CC..Hα-helixtrans-76.2-22.1-179.8-70.8-17.2000112.1P129 G130 N152 F153P129-N156 HydrophobicContact CB-CB 4.25Å; P129-N156 WeakPolarHBondContact CB-OD1 3.38Å; G130-N156 PolarHBondContact N-O 3.47Å; N152-N156 WeakPolarHBondContact O-CB 3.33Å; N152-N156 PolarHBondContact O-N 3.49Å; N152-N156 PolarHBondContact O-ND2 3.38Å; F153-N156 PolarHBondContact O-N 3.35Å
157T98.8Very high98.4Very high3 Ų341.6 Ų41.62%0.01820%0.196CC..  trans-75.8123.3174.9-60.50000110.2I134 F153 R155 R159 L160 F196I134-T157 HydrophobicContact CD1-CG2 3.81Å; I134-T157 HydrophobicContact CG1-CG2 4.06Å; F153-T157 PolarHBondContact O-N 3.33Å; F153-T157 PolarHBondContact O-OG1 3.23Å; R155-T157 VanDerWaalsContact C-N 3.31Å; T157-R159 WeakPolarHBondContact CG2-O 3.16Å; T157-L160 HydrophobicContact CG2-CB 4.44Å; T157-F196 HydrophobicContact CG2-CD1 4.08Å; T157-F196 HydrophobicContact CG2-CE1 3.99Å
158K98.5Very high98.2Very high42 Ų4247.3 Ų47.318%0.18322%0.218CC..SBendtrans-67.1-49.3179.7-173.2-173165.8-168.20111.4G130 Q131 L132 Q198G130-K158 WeakPolarHBondContact O-CB 3.41Å; G130-K158 WeakPolarHBondContact O-CD 3.38Å; G130-K158 WeakPolarHBondContact O-CG 3.22Å; Q131-K158 WeakPolarHBondContact O-CD 3.32Å; L132-K158 WeakPolarHBondContact O-CB 3.08Å; L132-K158 PolarHBondContact O-N 2.86Å; K158-Q198 WeakPolarHBondContact O-CB 3.27Å; K158-Q198 PolarHBondContact O-NE2 3.42Å
159R98.6Very high98Very high21 Ų2143.4 Ų43.48%0.07920%0.203CC..EExtended strand (participates in β ladder)trans-146.4133.5-179.6-64.6-174.9-62.3-169.915.5109.2T133 I134 T157 F161 Q198 Y200 E266T133-R159 CarbonylContact C-O 3.3Å; T133-R159 VanDerWaalsContact CA-O 3.32Å; T133-R159 WeakPolarHBondContact CA-O 3.48Å; T133-R159 HydrophobicContact CG2-CB 4.03Å; T133-R159 PolarHBondContact OG1-NE 2.9Å; I134-R159 PolarHBondContact N-O 2.8Å; T157-R159 WeakPolarHBondContact CG2-O 3.16Å; R159-F161 HydrophobicContact CB-CD2 4.25Å; R159-F161 HydrophobicContact CB-CE2 3.95Å; R159-Q198 WeakPolarHBondContact CA-O 3.37Å; R159-Q198 HydrophobicContact CB-CB 4.46Å; R159-Q198 HydrophobicContact CG-CB 3.91Å; R159-Y200 HydrophobicContact CB-CE2 4.45Å; R159-Y200 HydrophobicContact CG-CE2 4.11Å; R159-E266 IonicContact CZ-OE1 3.96Å; R159-E266 IonicContact NH1-OE1 3.69Å; R159-E266 PolarHBondContact NH1-OE1 3.42Å; R159-E266 IonicContact NH1-OE2 3.1Å; R159-E266 IonicContact NH2-OE1 3.62Å
160L98.9Very high97.8Very high0 Ų044.8 Ų44.80%021%0.208CC..EExtended strand (participates in β ladder)trans-107121.6166.9178.264.5000107.7I134 A136 I143 T157 I162 V191 F196 Q198 C199 Y200I134-L160 HydrophobicContact CB-CD1 3.99Å; I134-L160 HydrophobicContact CG2-CD1 3.95Å; A136-L160 HydrophobicContact CB-CD1 4.12Å; I143-L160 HydrophobicContact CG2-CD2 4.32Å; T157-L160 HydrophobicContact CG2-CB 4.44Å; L160-I162 HydrophobicContact CD1-CG1 4.49Å; L160-I162 HydrophobicContact CD2-CD1 3.95Å; L160-I162 HydrophobicContact CD2-CG1 4.1Å; L160-I162 HydrophobicContact CG-CD1 4.32Å; L160-I162 HydrophobicContact CG-CG1 3.95Å; L160-V191 HydrophobicContact CD2-CG1 3.6Å; L160-F196 HydrophobicContact CB-CD1 3.9Å; L160-F196 HydrophobicContact CB-CE1 4.19Å; L160-F196 HydrophobicContact CB-CG 4.27Å; L160-F196 HydrophobicContact CD2-CD1 4.1Å; L160-F196 HydrophobicContact CD2-CD2 3.82Å; L160-F196 HydrophobicContact CD2-CE1 3.97Å; L160-F196 HydrophobicContact CD2-CE2 3.69Å; L160-F196 HydrophobicContact CD2-CG 4.04Å; L160-F196 HydrophobicContact CD2-CZ 3.78Å; L160-Q198 PolarHBondContact N-O 3.39Å; L160-C199 WeakPolarHBondContact O-CA 3.48Å; L160-Y200 PolarHBondContact O-N 3.34Å
161F98.9Very high97.7Very high0 Ų043.2 Ų43.20%020%0.2CC..EExtended strand (participates in β ladder)trans-103.6132.2167.1-76.9-98.6000108.3T133 I134 L135 A136 R159 Y200 I202 V259 V262 I263 W272T133-F161 HydrophobicContact CG2-CD2 3.63Å; T133-F161 HydrophobicContact CG2-CE2 3.88Å; I134-F161 PolarHBondContact O-N 3.17Å; L135-F161 HydrophobicContact CD1-CB 4.17Å; A136-F161 PolarHBondContact N-O 3.48Å; R159-F161 HydrophobicContact CB-CD2 4.25Å; R159-F161 HydrophobicContact CB-CE2 3.95Å; F161-Y200 CarbonylContact C-O 3.5Å; F161-Y200 WeakPolarHBondContact CA-O 3.4Å; F161-Y200 HydrophobicContact CD1-CG 4.41Å; F161-Y200 HydrophobicContact CD2-CD2 4.41Å; F161-Y200 HydrophobicContact CE1-CD2 4.18Å; F161-Y200 HydrophobicContact CE1-CG 4.03Å; F161-Y200 AromaticContact CE2-CD2 3.97Å; F161-Y200 HydrophobicContact CE2-CD2 3.97Å; F161-Y200 AromaticContact CZ-CD2 3.84Å; F161-Y200 HydrophobicContact CZ-CD2 3.84Å; F161-Y200 HydrophobicContact CZ-CE2 4.39Å; F161-Y200 HydrophobicContact CZ-CG 4.14Å; F161-I202 HydrophobicContact CD1-CD1 3.99Å; F161-V259 HydrophobicContact CB-CG1 4.13Å; F161-V259 HydrophobicContact CD1-CG1 4.32Å; F161-V262 HydrophobicContact CE1-CG1 4.34Å; F161-I263 HydrophobicContact CB-CD1 3.74Å; F161-I263 HydrophobicContact CB-CG1 4.22Å; F161-I263 HydrophobicContact CD1-CD1 4.15Å; F161-I263 HydrophobicContact CD1-CG1 3.68Å; F161-I263 HydrophobicContact CD2-CD1 3.9Å; F161-I263 HydrophobicContact CD2-CG1 3.69Å; F161-I263 HydrophobicContact CE1-CG1 3.87Å; F161-I263 HydrophobicContact CE2-CG1 3.87Å; F161-I263 HydrophobicContact CG-CD1 3.67Å; F161-I263 HydrophobicContact CG-CG1 3.58Å; F161-I263 HydrophobicContact CZ-CG1 3.96Å; F161-W272 HydrophobicContact CD1-CH2 4.43Å; F161-W272 AromaticContact CE1-CH2 3.88Å; F161-W272 HydrophobicContact CE1-CH2 3.88Å; F161-W272 HydrophobicContact CE1-CZ2 4.1Å
162I98.9Very high97.7Very high0 Ų040.1 Ų40.10%018%0.177CC..EExtended strand (participates in β ladder)trans-117.7124.4179.3-61.3173000107.9A136 L140 L160 F181 V191 Y200 L201 I202A136-I162 WeakPolarHBondContact O-CA 3.39Å; L140-I162 HydrophobicContact CD1-CD1 4.17Å; L140-I162 HydrophobicContact CD1-CG2 4.17Å; L140-I162 HydrophobicContact CD2-CG2 4.25Å; L160-I162 HydrophobicContact CD1-CG1 4.49Å; L160-I162 HydrophobicContact CD2-CD1 3.95Å; L160-I162 HydrophobicContact CD2-CG1 4.1Å; L160-I162 HydrophobicContact CG-CD1 4.32Å; L160-I162 HydrophobicContact CG-CG1 3.95Å; I162-F181 HydrophobicContact CG2-CE2 3.88Å; I162-F181 HydrophobicContact CG2-CZ 4.32Å; I162-V191 HydrophobicContact CD1-CG1 4.03Å; I162-Y200 PolarHBondContact N-O 2.95Å; I162-L201 HydrophobicContact CB-CB 4.47Å; I162-L201 HydrophobicContact CB-CD1 4.47Å; I162-L201 HydrophobicContact CB-CG 4.42Å; I162-L201 HydrophobicContact CG2-CD1 4.2Å; I162-L201 HydrophobicContact CG2-CG 4.44Å; I162-L201 WeakPolarHBondContact O-CA 3.22Å; I162-I202 PolarHBondContact O-N 3.32Å
163M98.6Very high97.6Very high4 Ų439.5 Ų39.52%0.0218%0.176CC..EExtended strand (participates in β ladder)trans-90.4111.8158.5-168.1-74115.900107A136 Q137 E178 N180 W204 D256 V259A136-M163 PolarHBondContact O-N 2.57Å; Q137-M163 HydrophobicContact CB-CB 4.12Å; M163-E178 HydrophobicContact CE-CG 4.45Å; M163-N180 PolarHBondContact O-ND2 3.24Å; M163-W204 HydrophobicContact CE-CE3 4.29Å; M163-D256 WeakPolarHBondContact CG-OD1 3.38Å; M163-V259 HydrophobicContact CB-CG2 3.72Å; M163-V259 HydrophobicContact CG-CG2 3.76Å
164G98.6Very high97.5Very high0 Ų041.2 Ų41.20%019%0.186CC..  trans155.9-179.6173.300000113.6E178 L201 I202G164-E178 WeakPolarHBondContact CA-OE2 3.31Å; G164-L201 WeakPolarHBondContact O-CD2 3.4Å; G164-L201 WeakPolarHBondContact O-CG 3.33Å; G164-I202 PolarHBondContact N-O 3.16Å
165G98.5Very high97.3Very high1 Ų146 Ų461%0.0122%0.217CC..  trans69.8-172.5-178.200000112.9E178 W204G165-E178 PolarHBondContact N-OE2 2.71Å; G165-E178 WeakPolarHBondContact O-CB 3.39Å; G165-W204 PolarHBondContact O-N 3.13Å
166T98Very high97.3Very high7 Ų737.9 Ų37.94%0.04319%0.192CC..  trans-134.5146.8-176.150.40000109.8C169 E178 T290T166-C169 VanDerWaalsContact CB-SG 3.52Å; T166-E178 HydrophobicContact CG2-CB 4.13Å; T166-T290 PolarHBondContact N-OG1 3.06Å; T166-T290 PolarHBondContact O-OG1 2.91Å; T166-T290 PolarHBondContact OG1-OG1 3.18Å
167Y97.3Very high97.2Very high40 Ų4036.7 Ų36.716%0.15719%0.186CC..SBendtrans-126.696.8168.5-179.1-90.8000108.7C169 D203 I273 V292 N294 V304Y167-C169 PolarHBondContact O-N 2.76Å; Y167-D203 PolarHBondContact N-OD2 3.39Å; Y167-I273 HydrophobicContact CE1-CD1 3.77Å; Y167-I273 HydrophobicContact CE2-CG2 4.4Å; Y167-V292 HydrophobicContact CD2-CG1 3.92Å; Y167-V292 HydrophobicContact CD2-CG2 4.27Å; Y167-V292 HydrophobicContact CE2-CG1 3.71Å; Y167-N294 PolarHBondContact OH-ND2 3.48Å; Y167-V304 HydrophobicContact CD2-CB 4.2Å; Y167-V304 HydrophobicContact CD2-CG1 4.07Å; Y167-V304 HydrophobicContact CD2-CG2 4.06Å; Y167-V304 HydrophobicContact CG-CG1 3.89Å
168F94Very high97.2Very high146 Ų14636.7 Ų36.764%0.6419%0.186SC*.SBendtrans50.237.4-174.1-55.2-42.6000113.9V292F168-V292 HydrophobicContact CE1-CB 4.42Å
169C94.8Very high97.2Very high40 Ų4035.7 Ų35.727%0.2718%0.181SC..SBendtrans-133.1166.8179.9720000111.2T166 Y167 D203 G205T166-C169 VanDerWaalsContact CB-SG 3.52Å; Y167-C169 PolarHBondContact O-N 2.76Å; C169-D203 PolarHBondContact SG-OD2 3.09Å; C169-G205 PolarHBondContact SG-N 2.86Å
170R94.5Very high97.2Very high185 Ų18535 Ų3570%0.69818%0.179SC*.  trans-73.7142.4177.2-174.4-166.5153.4-168.5-3.7110.2P175 W204R170-P175 WeakPolarHBondContact CA-O 3.33Å; R170-W204 VanDerWaalsContact O-CD1 3.29Å
171G96.4Very high97.2Very high2 Ų235 Ų352%0.02118%0.179CC..  trans-72.4169.4169.300000114.7T174 P175 A177G171-T174 CarbonylContact C-O 3.54Å; G171-T174 WeakPolarHBondContact CA-O 3.49Å; G171-P175 PolarHBondContact N-O 3.49Å; G171-A177 VanDerWaalsContact CA-O 3.3Å; G171-A177 WeakPolarHBondContact CA-O 3.49Å
172N95.5Very high97.2Very high48 Ų4836.3 Ų36.326%0.25719%0.185SC..SBendtrans-99.8-24.3178.160.4-2.3000113.7A177 E178 Y179 W204N172-A177 PolarHBondContact N-O 3.09Å; N172-E178 WeakPolarHBondContact OD1-CA 3.46Å; N172-Y179 PolarHBondContact OD1-N 2.98Å; N172-W204 HydrophobicContact CB-CD2 4.08Å; N172-W204 HydrophobicContact CB-CG 4.5Å; N172-W204 HydrophobicContact CB-CH2 4.38Å; N172-W204 HydrophobicContact CB-CZ2 3.74Å
173V96.1Very high97.2Very high65 Ų6536.4 Ų36.439%0.39419%0.185SC..SBendtrans-94.7-50.6174.8-177.10000111.2A177 Y179 F182V173-A177 PolarHBondContact N-O 3.3Å; V173-Y179 HydrophobicContact CG2-CD2 3.71Å; V173-Y179 HydrophobicContact CG2-CG 4.2Å; V173-F182 HydrophobicContact CB-CB 4.37Å; V173-F182 HydrophobicContact CB-CD1 3.91Å; V173-F182 HydrophobicContact CB-CE1 4.3Å; V173-F182 HydrophobicContact CB-CG 4.05Å; V173-F182 HydrophobicContact CG1-CD1 3.42Å; V173-F182 VanDerWaalsContact CG1-CD1 3.42Å; V173-F182 HydrophobicContact CG1-CD2 4.33Å; V173-F182 HydrophobicContact CG1-CE1 3.32Å; V173-F182 HydrophobicContact CG1-CE2 4.3Å; V173-F182 HydrophobicContact CG1-CG 3.92Å; V173-F182 HydrophobicContact CG1-CZ 3.81Å; V173-F182 HydrophobicContact CG2-CB 4.44Å; V173-F182 HydrophobicContact CG2-CD1 4.07Å; V173-F182 HydrophobicContact CG2-CG 4.43Å
174T96.5Very high97.2Very high35 Ų3536.2 Ų36.222%0.21518%0.184CC..SBendtrans-118.3165.5170.4760000108.8G171 A176 A177 F182G171-T174 CarbonylContact C-O 3.54Å; G171-T174 WeakPolarHBondContact CA-O 3.49Å; T174-A176 PolarHBondContact O-N 2.92Å; T174-A176 PolarHBondContact OG1-N 3.04Å; T174-A177 PolarHBondContact N-O 3.09Å; T174-A177 PolarHBondContact O-N 3.23Å; T174-A177 WeakPolarHBondContact OG1-CB 3.36Å; T174-A177 PolarHBondContact OG1-N 3.01Å; T174-F182 HydrophobicContact CG2-CD2 3.97Å; T174-F182 HydrophobicContact CG2-CE2 3.66Å; T174-F182 HydrophobicContact CG2-CZ 4.33Å
175P95.8Very high97.2Very high104 Ų10436.3 Ų36.368%0.67519%0.185SC*.SBendtrans-53.5-25.5171.7-27.736.6000113.7R170 G171R170-P175 WeakPolarHBondContact CA-O 3.33Å; G171-P175 PolarHBondContact N-O 3.49Å
176A96.9Very high97.2Very high27 Ų2740 Ų4022%0.22320%0.201CC..SBendtrans-103.4-23-174.500000114.7T174 A289T174-A176 PolarHBondContact O-N 2.92Å; T174-A176 PolarHBondContact OG1-N 3.04Å; A176-A289 HydrophobicContact CB-CB 3.84Å; A176-A289 WeakPolarHBondContact O-CA 3.33Å; A176-A289 WeakPolarHBondContact O-CB 3.49Å
177A98.3Very high97.2Very high0 Ų039.7 Ų39.70%020%0.199CC..  trans-125.6134.4-168.200000113.4G171 N172 V173 T174 F182 G288G171-A177 VanDerWaalsContact CA-O 3.3Å; G171-A177 WeakPolarHBondContact CA-O 3.49Å; N172-A177 PolarHBondContact N-O 3.09Å; V173-A177 PolarHBondContact N-O 3.3Å; T174-A177 PolarHBondContact N-O 3.09Å; T174-A177 PolarHBondContact O-N 3.23Å; T174-A177 WeakPolarHBondContact OG1-CB 3.36Å; T174-A177 PolarHBondContact OG1-N 3.01Å; A177-F182 HydrophobicContact CB-CB 3.91Å; A177-F182 HydrophobicContact CB-CD2 4.03Å; A177-F182 HydrophobicContact CB-CG 4.41Å; A177-G288 VanDerWaalsContact CB-C 3.5Å
178E98.3Very high97.3Very high4 Ų437.8 Ų37.82%0.01919%0.191CC..  trans-81.2147.4168-177.4-70.5131.100109.9M163 G164 G165 T166 N172 N180 F181 F182 W204M163-E178 HydrophobicContact CE-CG 4.45Å; G164-E178 WeakPolarHBondContact CA-OE2 3.31Å; G165-E178 PolarHBondContact N-OE2 2.71Å; G165-E178 WeakPolarHBondContact O-CB 3.39Å; T166-E178 HydrophobicContact CG2-CB 4.13Å; N172-E178 WeakPolarHBondContact OD1-CA 3.46Å; E178-N180 VanDerWaalsContact CD-N 3.31Å; E178-N180 PolarHBondContact O-N 3.11Å; E178-N180 PolarHBondContact OE1-N 2.94Å; E178-N180 WeakPolarHBondContact OE2-CB 3.41Å; E178-N180 PolarHBondContact OE2-N 3.19Å; E178-F181 CarbonylContact O-C 3.56Å; E178-F181 PolarHBondContact O-N 2.97Å; E178-F181 PolarHBondContact OE2-N 3.47Å; E178-F182 WeakPolarHBondContact O-CB 3.48Å; E178-F182 PolarHBondContact O-N 3.04Å; E178-W204 HydrophobicContact CB-CB 4.24Å; E178-W204 HydrophobicContact CG-CB 3.74Å; E178-W204 HydrophobicContact CG-CG 4.32Å
179Y98.6Very high97.5Very high21 Ų2131.6 Ų31.68%0.08217%0.166CC..Hα-helixtrans-48-57.5-173.4179-100.8000115G48 N49 Q87 A89 N172 V173 F181 F182 V183G48-Y179 WeakPolarHBondContact CA-OH 3.48Å; G48-Y179 PolarHBondContact O-OH 3.46Å; N49-Y179 VanDerWaalsContact CA-OH 3.24Å; N49-Y179 WeakPolarHBondContact CA-OH 3.13Å; N49-Y179 PolarHBondContact N-OH 2.98Å; N49-Y179 VanDerWaalsContact OD1-CE1 3.25Å; N49-Y179 WeakPolarHBondContact OD1-CE1 3.04Å; Q87-Y179 PolarHBondContact O-OH 3.02Å; A89-Y179 HydrophobicContact CB-CE2 3.95Å; N172-Y179 PolarHBondContact OD1-N 2.98Å; V173-Y179 HydrophobicContact CG2-CD2 3.71Å; V173-Y179 HydrophobicContact CG2-CG 4.2Å; Y179-F181 PolarHBondContact O-N 3.36Å; Y179-F182 PolarHBondContact O-N 3.25Å; Y179-V183 HydrophobicContact CD1-CG2 4.33Å; Y179-V183 HydrophobicContact CD2-CG2 3.87Å; Y179-V183 HydrophobicContact CE1-CG2 4.04Å; Y179-V183 HydrophobicContact CE2-CG2 3.53Å; Y179-V183 HydrophobicContact CG-CG2 4.26Å; Y179-V183 VanDerWaalsContact O-CG2 3.31Å; Y179-V183 WeakPolarHBondContact O-CG2 3.28Å; Y179-V183 PolarHBondContact O-N 3.13Å
180N98.8Very high97.7Very high6 Ų631.3 Ų31.33%0.03216%0.162CC..Hα-helixtrans-59.3-38.2-177.4-74.6-24.1000112Q137 A138 P139 M163 E178Q137-N180 VanDerWaalsContact C-ND2 3.35Å; Q137-N180 PolarHBondContact O-ND2 3.48Å; A138-N180 VanDerWaalsContact C-CG 3.41Å; A138-N180 VanDerWaalsContact C-OD1 3.26Å; P139-N180 VanDerWaalsContact CD-OD1 3.27Å; P139-N180 WeakPolarHBondContact CD-OD1 3.42Å; M163-N180 PolarHBondContact O-ND2 3.24Å; E178-N180 VanDerWaalsContact CD-N 3.31Å; E178-N180 PolarHBondContact O-N 3.11Å; E178-N180 PolarHBondContact OE1-N 2.94Å; E178-N180 WeakPolarHBondContact OE2-CB 3.41Å; E178-N180 PolarHBondContact OE2-N 3.19Å
181F98.7Very high97.9Very high0 Ų022.6 Ų22.60%013%0.129CC..Hα-helixtrans-77-30.7176.4-82.1-123.1000112.7L140 I162 E178 Y179 D184 P185 A188 L192 L201 V279 T290L140-F181 HydrophobicContact CD1-CE2 4.02Å; L140-F181 HydrophobicContact CD1-CZ 4.23Å; I162-F181 HydrophobicContact CG2-CE2 3.88Å; I162-F181 HydrophobicContact CG2-CZ 4.32Å; E178-F181 CarbonylContact O-C 3.56Å; E178-F181 PolarHBondContact O-N 2.97Å; E178-F181 PolarHBondContact OE2-N 3.47Å; Y179-F181 PolarHBondContact O-N 3.36Å; F181-D184 CarbonylContact O-C 3.56Å; F181-P185 WeakPolarHBondContact O-CA 3.24Å; F181-P185 WeakPolarHBondContact O-CD 3.1Å; F181-P185 WeakPolarHBondContact O-CG 3.37Å; F181-A188 HydrophobicContact CD1-CB 3.63Å; F181-A188 HydrophobicContact CD2-CB 4.36Å; F181-A188 HydrophobicContact CE1-CB 3.8Å; F181-A188 HydrophobicContact CG-CB 3.93Å; F181-A188 HydrophobicContact CZ-CB 4.24Å; F181-L192 HydrophobicContact CE1-CD1 3.93Å; F181-L192 HydrophobicContact CZ-CD1 4.39Å; F181-L201 HydrophobicContact CE2-CD1 4.42Å; F181-L201 HydrophobicContact CZ-CD1 3.85Å; F181-V279 HydrophobicContact CD1-CG1 4.25Å; F181-V279 HydrophobicContact CD1-CG2 3.78Å; F181-V279 HydrophobicContact CE1-CG2 3.76Å; F181-T290 HydrophobicContact CD1-CG2 3.55Å; F181-T290 HydrophobicContact CE1-CG2 3.59Å; F181-T290 HydrophobicContact CG-CG2 4.47Å
182F98.3Very high98Very high28 Ų2822.6 Ų22.612%0.12313%0.128CC..Hα-helixtrans-74.7-38.7178.6174.4-100000112.2V173 T174 A177 E178 Y179 P185 R287V173-F182 HydrophobicContact CB-CB 4.37Å; V173-F182 HydrophobicContact CB-CD1 3.91Å; V173-F182 HydrophobicContact CB-CE1 4.3Å; V173-F182 HydrophobicContact CB-CG 4.05Å; V173-F182 HydrophobicContact CG1-CD1 3.42Å; V173-F182 VanDerWaalsContact CG1-CD1 3.42Å; V173-F182 HydrophobicContact CG1-CD2 4.33Å; V173-F182 HydrophobicContact CG1-CE1 3.32Å; V173-F182 HydrophobicContact CG1-CE2 4.3Å; V173-F182 HydrophobicContact CG1-CG 3.92Å; V173-F182 HydrophobicContact CG1-CZ 3.81Å; V173-F182 HydrophobicContact CG2-CB 4.44Å; V173-F182 HydrophobicContact CG2-CD1 4.07Å; V173-F182 HydrophobicContact CG2-CG 4.43Å; T174-F182 HydrophobicContact CG2-CD2 3.97Å; T174-F182 HydrophobicContact CG2-CE2 3.66Å; T174-F182 HydrophobicContact CG2-CZ 4.33Å; A177-F182 HydrophobicContact CB-CB 3.91Å; A177-F182 HydrophobicContact CB-CD2 4.03Å; A177-F182 HydrophobicContact CB-CG 4.41Å; E178-F182 WeakPolarHBondContact O-CB 3.48Å; E178-F182 PolarHBondContact O-N 3.04Å; Y179-F182 PolarHBondContact O-N 3.25Å; F182-P185 WeakPolarHBondContact O-CD 3.43Å; F182-R287 PolarHBondContact O-NH1 3.1Å
183V98.4Very high98.2Very high1 Ų125.9 Ų25.91%0.00614%0.142CC..Hα-helixtrans-64.2-45.7178.7172.30000110.1M47 Q87 P139 Y179M47-V183 HydrophobicContact CE-CG1 3.78Å; Q87-V183 HydrophobicContact CB-CG2 4.43Å; P139-V183 HydrophobicContact CB-CB 4.11Å; P139-V183 HydrophobicContact CB-CG1 3.89Å; P139-V183 HydrophobicContact CG-CB 3.74Å; P139-V183 HydrophobicContact CG-CG1 3.61Å; P139-V183 HydrophobicContact CG-CG2 4.25Å; Y179-V183 HydrophobicContact CD1-CG2 4.33Å; Y179-V183 HydrophobicContact CD2-CG2 3.87Å; Y179-V183 HydrophobicContact CE1-CG2 4.04Å; Y179-V183 HydrophobicContact CE2-CG2 3.53Å; Y179-V183 HydrophobicContact CG-CG2 4.26Å; Y179-V183 VanDerWaalsContact O-CG2 3.31Å; Y179-V183 WeakPolarHBondContact O-CG2 3.28Å; Y179-V183 PolarHBondContact O-N 3.13Å
184D98.7Very high98.3Very high0 Ų024 Ų240%013%0.133CC..  trans-136.278.2176.4-161.5-18.9000113.5M47 P81 L82 P139 T141 F181 K186 A187 A188M47-D184 HydrophobicContact CE-CB 4.38Å; P81-D184 VanDerWaalsContact CA-OD2 3.26Å; P81-D184 WeakPolarHBondContact CA-OD2 3.45Å; P81-D184 HydrophobicContact CB-CB 3.88Å; P81-D184 WeakPolarHBondContact CB-OD2 3.48Å; L82-D184 PolarHBondContact N-OD2 3.25Å; P139-D184 HydrophobicContact CB-CB 4.4Å; T141-D184 PolarHBondContact OG1-OD2 2.85Å; T141-D184 VanDerWaalsContact OG1-OD2 3.04Å; F181-D184 CarbonylContact O-C 3.56Å; D184-K186 PolarHBondContact O-N 2.69Å; D184-K186 PolarHBondContact OD1-N 3.16Å; D184-A187 HydrophobicContact CB-CB 3.89Å; D184-A187 PolarHBondContact O-N 2.73Å; D184-A187 WeakPolarHBondContact OD1-CB 3.48Å; D184-A187 PolarHBondContact OD1-N 2.84Å; D184-A187 WeakPolarHBondContact OD2-CB 3.4Å; D184-A188 PolarHBondContact O-N 2.89Å
185P98.6Very high98.3Very high2 Ų225.2 Ų25.21%0.01315%0.153CC..Hα-helixtrans-61.8-32.1178.9-20.530.6000112.6F181 F182 A188 S189 V279 T281 R287F181-P185 WeakPolarHBondContact O-CA 3.24Å; F181-P185 WeakPolarHBondContact O-CD 3.1Å; F181-P185 WeakPolarHBondContact O-CG 3.37Å; F182-P185 WeakPolarHBondContact O-CD 3.43Å; P185-A188 PolarHBondContact O-N 2.91Å; P185-S189 WeakPolarHBondContact O-CB 3.3Å; P185-S189 PolarHBondContact O-N 2.88Å; P185-V279 HydrophobicContact CB-CG1 3.97Å; P185-T281 HydrophobicContact CB-CG2 4.11Å; P185-R287 VanDerWaalsContact CD-NH2 3.26Å; P185-R287 HydrophobicContact CG-CG 3.83Å; P185-R287 VanDerWaalsContact CG-CZ 3.48Å
186K98.7Very high98.4Very high79 Ų7921 Ų2134%0.34312%0.124SC..Hα-helixtrans-67.9-46-179.6-177.363170.6-1700110.3L82 E83 D184 S189 I190L82-K186 HydrophobicContact CB-CB 4.35Å; L82-K186 HydrophobicContact CB-CG 4.29Å; L82-K186 HydrophobicContact CD1-CG 4.18Å; E83-K186 HydrophobicContact CG-CB 4.48Å; E83-K186 HydrophobicContact CG-CG 4.44Å; D184-K186 PolarHBondContact O-N 2.69Å; D184-K186 PolarHBondContact OD1-N 3.16Å; K186-S189 PolarHBondContact O-N 2.92Å; K186-I190 HydrophobicContact CG-CD1 4.27Å; K186-I190 WeakPolarHBondContact O-CG1 3.38Å; K186-I190 PolarHBondContact O-N 3.33Å
187A98.9Very high98.3Very high0 Ų023.2 Ų23.20%014%0.142CC..Hα-helixtrans-61-45.6174.400000111.4L82 L140 A144 D184 S189 I190 V191L82-A187 HydrophobicContact CD1-CB 3.9Å; L82-A187 HydrophobicContact CG-CB 4.23Å; L140-A187 HydrophobicContact CB-CB 4.32Å; A144-A187 HydrophobicContact CB-CB 3.6Å; D184-A187 HydrophobicContact CB-CB 3.89Å; D184-A187 PolarHBondContact O-N 2.73Å; D184-A187 WeakPolarHBondContact OD1-CB 3.48Å; D184-A187 PolarHBondContact OD1-N 2.84Å; D184-A187 WeakPolarHBondContact OD2-CB 3.4Å; A187-S189 VanDerWaalsContact C-N 3.32Å; A187-S189 PolarHBondContact O-N 2.87Å; A187-I190 PolarHBondContact O-N 3.46Å; A187-I190 VanDerWaalsContact O-N 3.12Å; A187-V191 WeakPolarHBondContact O-CG2 3.19Å; A187-V191 PolarHBondContact O-N 2.85Å
188A98.9Very high98.3Very high0 Ų026.6 Ų26.60%016%0.158CC..Hα-helixtrans-59.5-42.1177.400000112.5L140 F181 D184 P185 I190 V191 L192 V279L140-A188 HydrophobicContact CD1-CB 4.03Å; F181-A188 HydrophobicContact CD1-CB 3.63Å; F181-A188 HydrophobicContact CD2-CB 4.36Å; F181-A188 HydrophobicContact CE1-CB 3.8Å; F181-A188 HydrophobicContact CG-CB 3.93Å; F181-A188 HydrophobicContact CZ-CB 4.24Å; D184-A188 PolarHBondContact O-N 2.89Å; P185-A188 PolarHBondContact O-N 2.91Å; A188-I190 PolarHBondContact O-N 3.43Å; A188-V191 PolarHBondContact O-N 2.84Å; A188-L192 PolarHBondContact O-N 3.39Å; A188-V279 HydrophobicContact CB-CG1 4.5Å; A188-V279 HydrophobicContact CB-CG2 3.94Å
189S98.8Very high98.3Very high16 Ų1626.5 Ų26.511%0.11216%0.157CC..Hα-helixtrans-60.9-42.5173.5-177.50000112.6P185 K186 A187 Q193P185-S189 WeakPolarHBondContact O-CB 3.3Å; P185-S189 PolarHBondContact O-N 2.88Å; K186-S189 PolarHBondContact O-N 2.92Å; A187-S189 VanDerWaalsContact C-N 3.32Å; A187-S189 PolarHBondContact O-N 2.87Å; S189-Q193 WeakPolarHBondContact O-CB 3.49Å; S189-Q193 VanDerWaalsContact O-CG 3.25Å; S189-Q193 WeakPolarHBondContact O-CG 3.4Å; S189-Q193 PolarHBondContact O-N 2.8Å; S189-Q193 PolarHBondContact OG-NE2 2.9Å
190I98.8Very high98.3Very high35 Ų3526.7 Ų26.718%0.17916%0.158CC..Hα-helixtrans-63.9-46.9178.7-72.1165.5000110.2L82 A144 V147 M148 K186 A187 A188 L192 Q193 A194L82-I190 HydrophobicContact CD1-CD1 3.61Å; A144-I190 HydrophobicContact CB-CB 4.12Å; A144-I190 HydrophobicContact CB-CD1 4.49Å; A144-I190 HydrophobicContact CB-CG2 3.99Å; V147-I190 HydrophobicContact CB-CG2 4.37Å; V147-I190 HydrophobicContact CG1-CG2 4.11Å; M148-I190 HydrophobicContact CG-CD1 4.49Å; M148-I190 HydrophobicContact CG-CG2 4.43Å; M148-I190 HydrophobicContact SD-CD1 3.89Å; K186-I190 HydrophobicContact CG-CD1 4.27Å; K186-I190 WeakPolarHBondContact O-CG1 3.38Å; K186-I190 PolarHBondContact O-N 3.33Å; A187-I190 PolarHBondContact O-N 3.46Å; A187-I190 VanDerWaalsContact O-N 3.12Å; A188-I190 PolarHBondContact O-N 3.43Å; I190-L192 PolarHBondContact O-N 2.73Å; I190-Q193 CarbonylContact O-C 3.53Å; I190-Q193 PolarHBondContact O-N 3.35Å; I190-Q193 VanDerWaalsContact O-N 3.12Å; I190-A194 WeakPolarHBondContact O-CB 3.26Å; I190-A194 PolarHBondContact O-N 2.99Å
191V98.9Very high98.3Very high1 Ų126.4 Ų26.41%0.00616%0.157CC..Hα-helixtrans-63.5-44.3-177.8172.30000111.6L140 I143 A144 L160 I162 A187 A188 Q193 A194 F196L140-V191 HydrophobicContact CB-CG2 4.07Å; L140-V191 HydrophobicContact CD1-CB 4.24Å; L140-V191 HydrophobicContact CD1-CG1 4.25Å; I143-V191 HydrophobicContact CB-CG2 3.83Å; I143-V191 HydrophobicContact CG2-CB 4.47Å; I143-V191 HydrophobicContact CG2-CG1 3.97Å; I143-V191 HydrophobicContact CG2-CG2 3.6Å; A144-V191 HydrophobicContact CB-CG2 4.02Å; L160-V191 HydrophobicContact CD2-CG1 3.6Å; I162-V191 HydrophobicContact CD1-CG1 4.03Å; A187-V191 WeakPolarHBondContact O-CG2 3.19Å; A187-V191 PolarHBondContact O-N 2.85Å; A188-V191 PolarHBondContact O-N 2.84Å; V191-Q193 PolarHBondContact O-N 2.78Å; V191-A194 WeakPolarHBondContact O-CB 3.24Å; V191-A194 PolarHBondContact O-N 2.83Å; V191-F196 HydrophobicContact CG1-CE2 4.06Å
192L98.7Very high98.3Very high3 Ų326.4 Ų26.42%0.01616%0.157CC..Hα-helixtrans-66.1-21.9176.2-74.1175.5000113.1F181 A188 I190 M277 V279 N301 V302F181-L192 HydrophobicContact CE1-CD1 3.93Å; F181-L192 HydrophobicContact CZ-CD1 4.39Å; A188-L192 PolarHBondContact O-N 3.39Å; I190-L192 PolarHBondContact O-N 2.73Å; L192-M277 HydrophobicContact CD1-CB 4.13Å; L192-M277 HydrophobicContact CD1-CG 3.75Å; L192-M277 HydrophobicContact CD1-SD 3.94Å; L192-V279 HydrophobicContact CD1-CG2 3.72Å; L192-N301 VanDerWaalsContact O-CB 3.28Å; L192-N301 WeakPolarHBondContact O-CB 3.26Å; L192-N301 PolarHBondContact O-ND2 2.89Å; L192-V302 HydrophobicContact CD2-CB 4.03Å; L192-V302 HydrophobicContact CD2-CG1 4.37Å; L192-V302 HydrophobicContact CD2-CG2 4.28Å
193Q97.9Very high98.3Very high116 Ų11625.3 Ų25.354%0.54215%0.152SC..Hα-helixtrans-95.9-5.1176.9-67.4174.620.500113.4S189 I190 V191 G195S189-Q193 WeakPolarHBondContact O-CB 3.49Å; S189-Q193 VanDerWaalsContact O-CG 3.25Å; S189-Q193 WeakPolarHBondContact O-CG 3.4Å; S189-Q193 PolarHBondContact O-N 2.8Å; S189-Q193 PolarHBondContact OG-NE2 2.9Å; I190-Q193 CarbonylContact O-C 3.53Å; I190-Q193 PolarHBondContact O-N 3.35Å; I190-Q193 VanDerWaalsContact O-N 3.12Å; V191-Q193 PolarHBondContact O-N 2.78Å; Q193-G195 PolarHBondContact O-N 3.14Å
194A98.2Very high98.3Very high26 Ų2626.7 Ų26.722%0.21516%0.157CC..SBendtrans-72.9-9.4-171.900000114.9V147 A154 I190 V191 F196V147-A194 HydrophobicContact CB-CB 4.28Å; V147-A194 HydrophobicContact CG1-CB 3.61Å; V147-A194 HydrophobicContact CG2-CB 3.63Å; A154-A194 HydrophobicContact CB-CB 4.27Å; A154-A194 WeakPolarHBondContact CB-O 3.38Å; I190-A194 WeakPolarHBondContact O-CB 3.26Å; I190-A194 PolarHBondContact O-N 2.99Å; V191-A194 WeakPolarHBondContact O-CB 3.24Å; V191-A194 PolarHBondContact O-N 2.83Å; A194-F196 HydrophobicContact CB-CD2 3.83Å; A194-F196 HydrophobicContact CB-CE2 3.59Å
195G96.8Very high98.2Very high60 Ų6027.6 Ų27.662%0.61917%0.167SC*.  trans73.234.9176.600000114.6Q193 A197Q193-G195 PolarHBondContact O-N 3.14Å; G195-A197 PolarHBondContact O-N 3.08Å
196F98.5Very high98.1Very high17 Ų1727.7 Ų27.78%0.07517%0.167CC..  trans-57.6126.5170.3-73.3-91.8000110.6I143 V147 F153 A154 T157 L160 V191 A194 Q198 C199I143-F196 HydrophobicContact CG2-CE2 4.46Å; I143-F196 HydrophobicContact CG2-CZ 3.99Å; V147-F196 HydrophobicContact CG2-CE2 3.99Å; V147-F196 HydrophobicContact CG2-CZ 4Å; F153-F196 HydrophobicContact CD1-CE1 4.48Å; F153-F196 HydrophobicContact CD1-CZ 4.12Å; F153-F196 HydrophobicContact CE1-CE1 4.21Å; F153-F196 AromaticContact CE1-CZ 3.86Å; F153-F196 HydrophobicContact CE1-CZ 3.86Å; A154-F196 HydrophobicContact CB-CD1 3.93Å; A154-F196 HydrophobicContact CB-CD2 4.02Å; A154-F196 HydrophobicContact CB-CE1 3.94Å; A154-F196 HydrophobicContact CB-CE2 4Å; A154-F196 HydrophobicContact CB-CG 3.97Å; A154-F196 HydrophobicContact CB-CZ 3.96Å; T157-F196 HydrophobicContact CG2-CD1 4.08Å; T157-F196 HydrophobicContact CG2-CE1 3.99Å; L160-F196 HydrophobicContact CB-CD1 3.9Å; L160-F196 HydrophobicContact CB-CE1 4.19Å; L160-F196 HydrophobicContact CB-CG 4.27Å; L160-F196 HydrophobicContact CD2-CD1 4.1Å; L160-F196 HydrophobicContact CD2-CD2 3.82Å; L160-F196 HydrophobicContact CD2-CE1 3.97Å; L160-F196 HydrophobicContact CD2-CE2 3.69Å; L160-F196 HydrophobicContact CD2-CG 4.04Å; L160-F196 HydrophobicContact CD2-CZ 3.78Å; V191-F196 HydrophobicContact CG1-CE2 4.06Å; A194-F196 HydrophobicContact CB-CD2 3.83Å; A194-F196 HydrophobicContact CB-CE2 3.59Å; F196-Q198 PolarHBondContact O-N 3.25Å; F196-C199 HydrophobicContact CB-CB 4.06Å
197A95.2Very high97.9Very high73 Ų7324 Ų2460%0.60315%0.151SC*.SBendtrans-60-35.2-17800000112.7G195G195-A197 PolarHBondContact O-N 3.08Å
198Q98.2Very high97.6Very high71 Ų7126.3 Ų26.333%0.33217%0.165SC..SBendtrans-132.890.9176.6-64.4-178.760.400109.9K158 R159 L160 F196 Y200K158-Q198 WeakPolarHBondContact O-CB 3.27Å; K158-Q198 PolarHBondContact O-NE2 3.42Å; R159-Q198 WeakPolarHBondContact CA-O 3.37Å; R159-Q198 HydrophobicContact CB-CB 4.46Å; R159-Q198 HydrophobicContact CG-CB 3.91Å; L160-Q198 PolarHBondContact N-O 3.39Å; F196-Q198 PolarHBondContact O-N 3.25Å; Q198-Y200 HydrophobicContact CB-CE2 3.79Å; Q198-Y200 PolarHBondContact OE1-OH 2.94Å
199C98.7Very high97.4Very high1 Ų132.6 Ų32.61%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-105.3124.6172.9-168.90000110L160 F196 N301 R303L160-C199 WeakPolarHBondContact O-CA 3.48Å; F196-C199 HydrophobicContact CB-CB 4.06Å; C199-N301 WeakPolarHBondContact CB-O 3.32Å; C199-R303 PolarHBondContact O-N 2.81Å
200Y98.8Very high97.1Very high25 Ų2532.5 Ų32.510%0.09819%0.187CC..EExtended strand (participates in β ladder)trans-122.6137.4-179.9-62.4-81.6000109.4R159 L160 F161 I162 Q198 W272 R303R159-Y200 HydrophobicContact CB-CE2 4.45Å; R159-Y200 HydrophobicContact CG-CE2 4.11Å; L160-Y200 PolarHBondContact O-N 3.34Å; F161-Y200 CarbonylContact C-O 3.5Å; F161-Y200 WeakPolarHBondContact CA-O 3.4Å; F161-Y200 HydrophobicContact CD1-CG 4.41Å; F161-Y200 HydrophobicContact CD2-CD2 4.41Å; F161-Y200 HydrophobicContact CE1-CD2 4.18Å; F161-Y200 HydrophobicContact CE1-CG 4.03Å; F161-Y200 AromaticContact CE2-CD2 3.97Å; F161-Y200 HydrophobicContact CE2-CD2 3.97Å; F161-Y200 AromaticContact CZ-CD2 3.84Å; F161-Y200 HydrophobicContact CZ-CD2 3.84Å; F161-Y200 HydrophobicContact CZ-CE2 4.39Å; F161-Y200 HydrophobicContact CZ-CG 4.14Å; I162-Y200 PolarHBondContact N-O 2.95Å; Q198-Y200 HydrophobicContact CB-CE2 3.79Å; Q198-Y200 PolarHBondContact OE1-OH 2.94Å; Y200-W272 AromaticContact CD1-CD2 3.6Å; Y200-W272 HydrophobicContact CD1-CD2 3.6Å; Y200-W272 AromaticContact CD1-CE2 3.64Å; Y200-W272 AromaticContact CD1-CE3 3.64Å; Y200-W272 HydrophobicContact CD1-CE3 3.64Å; Y200-W272 HydrophobicContact CD1-CG 4.28Å; Y200-W272 AromaticContact CD1-CH2 3.81Å; Y200-W272 HydrophobicContact CD1-CH2 3.81Å; Y200-W272 AromaticContact CD1-CZ2 3.76Å; Y200-W272 HydrophobicContact CD1-CZ2 3.76Å; Y200-W272 AromaticContact CD1-CZ3 3.74Å; Y200-W272 HydrophobicContact CD1-CZ3 3.74Å; Y200-W272 AromaticContact CE1-CD2 3.99Å; Y200-W272 HydrophobicContact CE1-CD2 3.99Å; Y200-W272 AromaticContact CE1-CE2 3.9Å; Y200-W272 HydrophobicContact CE1-CE3 4.46Å; Y200-W272 HydrophobicContact CE1-CG 4.25Å; Y200-W272 HydrophobicContact CE1-CZ2 4.32Å; Y200-W272 HydrophobicContact CG-CH2 4.11Å; Y200-W272 HydrophobicContact CG-CZ2 4.33Å; Y200-W272 HydrophobicContact CG-CZ3 4.2Å; Y200-R303 CarbonylContact C-O 3.6Å; Y200-R303 VanDerWaalsContact CA-O 3.32Å; Y200-R303 WeakPolarHBondContact CA-O 3.22Å; Y200-R303 HydrophobicContact CD1-CB 3.76Å; Y200-R303 HydrophobicContact CE1-CB 4.1Å
201L98.8Very high96.8Very high0 Ų031 Ų310%018%0.18CC..EExtended strand (participates in β ladder)trans-129.6130-178.9-177.9149.3000110I162 G164 F181 D203 M277 V302 R303 V304 C305I162-L201 HydrophobicContact CB-CB 4.47Å; I162-L201 HydrophobicContact CB-CD1 4.47Å; I162-L201 HydrophobicContact CB-CG 4.42Å; I162-L201 HydrophobicContact CG2-CD1 4.2Å; I162-L201 HydrophobicContact CG2-CG 4.44Å; I162-L201 WeakPolarHBondContact O-CA 3.22Å; G164-L201 WeakPolarHBondContact O-CD2 3.4Å; G164-L201 WeakPolarHBondContact O-CG 3.33Å; F181-L201 HydrophobicContact CE2-CD1 4.42Å; F181-L201 HydrophobicContact CZ-CD1 3.85Å; L201-D203 HydrophobicContact CD2-CB 3.64Å; L201-M277 HydrophobicContact CD1-CE 4.31Å; L201-M277 HydrophobicContact CD1-SD 3.78Å; L201-M277 HydrophobicContact CD2-CE 4.33Å; L201-V302 HydrophobicContact CB-CG2 3.52Å; L201-V302 HydrophobicContact CD1-CG2 4.43Å; L201-R303 PolarHBondContact N-O 3.11Å; L201-V304 HydrophobicContact CD2-CG1 4.1Å; L201-V304 HydrophobicContact CD2-CG2 4.18Å; L201-V304 CarbonylContact O-C 3.2Å; L201-V304 WeakPolarHBondContact O-CA 3.23Å; L201-C305 PolarHBondContact O-N 3.21Å
202I98.6Very high96.5Very high0 Ų034 Ų340%019%0.193CC..EExtended strand (participates in β ladder)trans-108.5110169.7-61.965.3000104.8F161 I162 G164 V206 L258 V259 W272 C305F161-I202 HydrophobicContact CD1-CD1 3.99Å; I162-I202 PolarHBondContact O-N 3.32Å; G164-I202 PolarHBondContact N-O 3.16Å; I202-V206 HydrophobicContact CG2-CB 4.06Å; I202-V206 HydrophobicContact CG2-CG1 3.74Å; I202-L258 HydrophobicContact CG2-CD2 4.27Å; I202-V259 HydrophobicContact CB-CG2 3.68Å; I202-V259 HydrophobicContact CD1-CB 4.5Å; I202-V259 HydrophobicContact CD1-CG1 3.7Å; I202-V259 HydrophobicContact CD1-CG2 4.28Å; I202-V259 HydrophobicContact CG1-CB 4.48Å; I202-V259 HydrophobicContact CG1-CG1 4.2Å; I202-V259 HydrophobicContact CG1-CG2 3.92Å; I202-V259 HydrophobicContact CG2-CG2 4.03Å; I202-W272 HydrophobicContact CD1-CH2 3.9Å; I202-W272 HydrophobicContact CD1-CZ3 4.13Å; I202-C305 HydrophobicContact CB-CB 4.46Å; I202-C305 HydrophobicContact CG1-CB 3.97Å
203D98.4Very high96.3Very high5 Ų534 Ų343%0.02719%0.193CC..  trans-81.9165.9-173.184.6-56.5000111.2Y167 C169 L201 G205 V206 C207Y167-D203 PolarHBondContact N-OD2 3.39Å; C169-D203 PolarHBondContact SG-OD2 3.09Å; L201-D203 HydrophobicContact CD2-CB 3.64Å; D203-G205 PolarHBondContact O-N 2.81Å; D203-G205 PolarHBondContact OD2-N 3.16Å; D203-V206 PolarHBondContact O-N 3.2Å; D203-V206 WeakPolarHBondContact OD1-CB 3.34Å; D203-V206 WeakPolarHBondContact OD1-CG2 3.34Å; D203-V206 PolarHBondContact OD1-N 2.87Å; D203-V206 VanDerWaalsContact OD1-N 3.14Å; D203-C207 PolarHBondContact O-N 3.21Å; D203-C207 VanDerWaalsContact O-N 3.12Å; D203-C207 PolarHBondContact O-SG 2.81Å
204W97.8Very high95.9Very high31 Ų3131.9 Ų31.912%0.11719%0.186CC..Hα-helixtrans-55.6-37.2178.1-179-115.2000113.4M163 G165 R170 N172 E178 V206 C207 V208 I253M163-W204 HydrophobicContact CE-CE3 4.29Å; G165-W204 PolarHBondContact O-N 3.13Å; R170-W204 VanDerWaalsContact O-CD1 3.29Å; N172-W204 HydrophobicContact CB-CD2 4.08Å; N172-W204 HydrophobicContact CB-CG 4.5Å; N172-W204 HydrophobicContact CB-CH2 4.38Å; N172-W204 HydrophobicContact CB-CZ2 3.74Å; E178-W204 HydrophobicContact CB-CB 4.24Å; E178-W204 HydrophobicContact CG-CB 3.74Å; E178-W204 HydrophobicContact CG-CG 4.32Å; W204-V206 PolarHBondContact O-N 3.4Å; W204-C207 HydrophobicContact CE3-CB 4.24Å; W204-C207 WeakPolarHBondContact O-CB 3.26Å; W204-C207 PolarHBondContact O-N 3.49Å; W204-V208 HydrophobicContact CD2-CG2 3.9Å; W204-V208 HydrophobicContact CG-CG2 4.28Å; W204-V208 HydrophobicContact CH2-CG2 4.3Å; W204-V208 HydrophobicContact CZ2-CG2 3.56Å; W204-V208 VanDerWaalsContact O-CG2 3.32Å; W204-V208 WeakPolarHBondContact O-CG2 3.27Å; W204-V208 PolarHBondContact O-N 2.91Å; W204-I253 HydrophobicContact CH2-CB 4.34Å; W204-I253 HydrophobicContact CH2-CD1 3.49Å; W204-I253 VanDerWaalsContact CH2-CD1 3.49Å; W204-I253 HydrophobicContact CH2-CG2 4.12Å; W204-I253 HydrophobicContact CZ2-CD1 3.59Å; W204-I253 HydrophobicContact CZ3-CD1 4.47Å; W204-I253 HydrophobicContact CZ3-CG2 4.12Å
205G96.2Very high95.6Very high19 Ų1934.7 Ų34.720%0.19619%0.193CC..Hα-helixtrans-61.4-43.5179.600000112.7C169 D203 R209C169-G205 PolarHBondContact SG-N 2.86Å; D203-G205 PolarHBondContact O-N 2.81Å; D203-G205 PolarHBondContact OD2-N 3.16Å; G205-R209 VanDerWaalsContact O-CB 3.31Å; G205-R209 WeakPolarHBondContact O-CB 3.31Å; G205-R209 PolarHBondContact O-N 3.18Å
206V96.2Very high95.3Very high4 Ų437 Ų372%0.02419%0.187CC..Hα-helixtrans-64.9-41.9173.2171.10000111.2I202 D203 W204 V208 R209 D210 L258 C305 V308I202-V206 HydrophobicContact CG2-CB 4.06Å; I202-V206 HydrophobicContact CG2-CG1 3.74Å; D203-V206 PolarHBondContact O-N 3.2Å; D203-V206 WeakPolarHBondContact OD1-CB 3.34Å; D203-V206 WeakPolarHBondContact OD1-CG2 3.34Å; D203-V206 PolarHBondContact OD1-N 2.87Å; D203-V206 VanDerWaalsContact OD1-N 3.14Å; W204-V206 PolarHBondContact O-N 3.4Å; V206-V208 PolarHBondContact O-N 3.26Å; V206-R209 PolarHBondContact O-N 3.48Å; V206-D210 PolarHBondContact O-N 3.15Å; V206-L258 HydrophobicContact CG1-CD2 3.96Å; V206-C305 HydrophobicContact CG2-CB 4.47Å; V206-C305 WeakPolarHBondContact CG2-O 3.38Å; V206-V308 HydrophobicContact CG1-CG2 4.42Å
207C95.2Very high94.9Very high0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-59.8-45.8177.3-67.80000112.4D203 W204 G211 I253D203-C207 PolarHBondContact O-N 3.21Å; D203-C207 VanDerWaalsContact O-N 3.12Å; D203-C207 PolarHBondContact O-SG 2.81Å; W204-C207 HydrophobicContact CE3-CB 4.24Å; W204-C207 WeakPolarHBondContact O-CB 3.26Å; W204-C207 PolarHBondContact O-N 3.49Å; C207-G211 CarbonylContact O-C 3.54Å; C207-G211 WeakPolarHBondContact O-CA 3.4Å; C207-G211 PolarHBondContact O-N 2.85Å; C207-I253 HydrophobicContact CB-CG2 4.11Å
208V92.9Very high94.8Very high49 Ų4933.7 Ų33.730%0.29716%0.16SC..Hα-helixtrans-63.7-42.5176.8175.60000111.3W204 V206 F212 I253W204-V208 HydrophobicContact CD2-CG2 3.9Å; W204-V208 HydrophobicContact CG-CG2 4.28Å; W204-V208 HydrophobicContact CH2-CG2 4.3Å; W204-V208 HydrophobicContact CZ2-CG2 3.56Å; W204-V208 VanDerWaalsContact O-CG2 3.32Å; W204-V208 WeakPolarHBondContact O-CG2 3.27Å; W204-V208 PolarHBondContact O-N 2.91Å; V206-V208 PolarHBondContact O-N 3.26Å; V208-F212 WeakPolarHBondContact O-CB 3.44Å; V208-I253 HydrophobicContact CB-CD1 4.33Å; V208-I253 HydrophobicContact CG1-CD1 4.46Å; V208-I253 HydrophobicContact CG2-CD1 3.72Å
209R93.2Very high94.5Very high133 Ų13334.5 Ų34.550%0.50217%0.167SC..Hα-helixtrans-78-45.4-173.1-173.1-171.762.5-136.1-4.2113G205 V206 K306G205-R209 VanDerWaalsContact O-CB 3.31Å; G205-R209 WeakPolarHBondContact O-CB 3.31Å; G205-R209 PolarHBondContact O-N 3.18Å; V206-R209 PolarHBondContact O-N 3.48Å; R209-K306 PolarHBondContact NH2-O 2.9Å
210D93.7Very high94.2Very high13 Ų1338 Ų387%0.0718%0.18CC..Hα-helixtrans-113.4-15.3-168.3-54-29.2000112.7V206 L258 R270 G307 V308 S310V206-D210 PolarHBondContact O-N 3.15Å; D210-L258 HydrophobicContact CB-CD2 4.49Å; D210-R270 IonicContact OD1-NH1 2.78Å; D210-G307 WeakPolarHBondContact OD2-CA 3.2Å; D210-V308 HydrophobicContact CB-CB 3.96Å; D210-V308 PolarHBondContact OD2-N 3.33Å; D210-S310 WeakPolarHBondContact O-CB 3.49Å
211G92.7Very high93.8Very high4 Ų437.4 Ų37.44%0.04118%0.178CC..SBendtrans-101.59.2177.400000114.5C207 G254C207-G211 CarbonylContact O-C 3.54Å; C207-G211 WeakPolarHBondContact O-CA 3.4Å; C207-G211 PolarHBondContact O-N 2.85Å; G211-G254 PolarHBondContact O-N 3.36Å
212F92.7Very high93.6Very high63 Ų6340.3 Ų40.328%0.27620%0.202SC..EExtended strand (participates in β ladder)trans-74.7133.4179.3-173-104.9000112.2V208 D214 M249 G251 T252 I253V208-F212 WeakPolarHBondContact O-CB 3.44Å; F212-D214 HydrophobicContact CD1-CB 4.19Å; F212-D214 HydrophobicContact CE1-CB 3.93Å; F212-M249 HydrophobicContact CE2-CB 3.8Å; F212-M249 HydrophobicContact CE2-CE 4.33Å; F212-M249 HydrophobicContact CE2-SD 4.19Å; F212-M249 HydrophobicContact CZ-CB 4.03Å; F212-G251 VanDerWaalsContact CZ-CA 3.43Å; F212-T252 WeakPolarHBondContact CD2-O 3.4Å; F212-I253 HydrophobicContact CD2-CG1 3.97Å
213W93Very high93.4Very high3 Ų348.3 Ų48.31%0.01124%0.237CC..EExtended strand (participates in β ladder)trans-104.498.5175.8-63.33.5000108.6A27 F217 L218 I232 I236 G251 T252 S257 Y320A27-W213 HydrophobicContact CB-CH2 3.71Å; A27-W213 HydrophobicContact CB-CZ2 4.29Å; W213-F217 HydrophobicContact CB-CD1 3.79Å; W213-F217 HydrophobicContact CB-CE1 4.39Å; W213-F217 AromaticContact CD2-CD1 3.99Å; W213-F217 HydrophobicContact CD2-CD1 3.99Å; W213-F217 AromaticContact CD2-CE1 3.66Å; W213-F217 HydrophobicContact CD2-CE1 3.66Å; W213-F217 HydrophobicContact CE3-CD1 4.28Å; W213-F217 AromaticContact CE3-CE1 3.84Å; W213-F217 HydrophobicContact CE3-CE1 3.84Å; W213-F217 AromaticContact CG-CD1 3.74Å; W213-F217 HydrophobicContact CG-CD1 3.74Å; W213-F217 AromaticContact CG-CE1 3.89Å; W213-F217 HydrophobicContact CG-CE1 3.89Å; W213-F217 HydrophobicContact CZ3-CE1 4.43Å; W213-L218 HydrophobicContact CB-CD2 4.34Å; W213-L218 HydrophobicContact CB-CG 4.41Å; W213-L218 HydrophobicContact CE3-CD2 4.1Å; W213-I232 HydrophobicContact CH2-CG2 4.1Å; W213-I232 HydrophobicContact CZ3-CG2 3.79Å; W213-I236 HydrophobicContact CE3-CD1 4.05Å; W213-I236 HydrophobicContact CZ3-CD1 4.03Å; W213-I236 HydrophobicContact CZ3-CG2 4.25Å; W213-G251 WeakPolarHBondContact O-CA 3.33Å; W213-T252 HydrophobicContact CB-CG2 3.82Å; W213-T252 HydrophobicContact CD2-CG2 4Å; W213-T252 HydrophobicContact CE3-CG2 3.57Å; W213-T252 HydrophobicContact CG-CG2 4.18Å; W213-T252 HydrophobicContact CZ3-CG2 4.37Å; W213-T252 PolarHBondContact N-O 3.19Å; W213-T252 PolarHBondContact O-N 3.24Å; W213-T252 VanDerWaalsContact O-N 3.09Å; W213-S257 WeakPolarHBondContact CZ2-OG 3.31Å; W213-Y320 HydrophobicContact CZ2-CE2 4.34Å; W213-Y320 AromaticContact CZ2-CZ 3.85Å; W213-Y320 WeakPolarHBondContact CZ2-OH 3.46Å
214D91.1Very high93.1Very high73 Ų7349.8 Ų49.839%0.3925%0.248SC..EExtended strand (participates in β ladder)trans-71.8170.8175.468.611.7000112.1F212 H216 F217 L218F212-D214 HydrophobicContact CD1-CB 4.19Å; F212-D214 HydrophobicContact CE1-CB 3.93Å; D214-H216 PolarHBondContact O-N 2.77Å; D214-H216 WeakPolarHBondContact OD1-CB 3.25Å; D214-H216 PolarHBondContact OD1-N 3.49Å; D214-H216 VanDerWaalsContact OD1-N 3.13Å; D214-F217 PolarHBondContact O-N 3.37Å; D214-F217 PolarHBondContact OD1-N 3.2Å; D214-L218 VanDerWaalsContact O-CG 3.29Å; D214-L218 WeakPolarHBondContact O-CG 3.45Å; D214-L218 PolarHBondContact O-N 2.94Å
215F91Very high92.7Very high85 Ų8555 Ų5537%0.37328%0.278SS..Hα-helixtrans-62.8-24.5177.7-68.8-41.9000113.8L218 D219 D250F215-L218 HydrophobicContact CD1-CD1 3.76Å; F215-L218 HydrophobicContact CE1-CD1 4.18Å; F215-L218 PolarHBondContact O-N 3.13Å; F215-D219 VanDerWaalsContact O-CB 3.22Å; F215-D219 WeakPolarHBondContact O-CB 3.43Å; F215-D219 PolarHBondContact O-N 3.23Å; F215-D250 HydrophobicContact CD2-CB 3.9Å; F215-D250 HydrophobicContact CE2-CB 3.43Å; F215-D250 VanDerWaalsContact CE2-CB 3.43Å; F215-D250 HydrophobicContact CZ-CB 4.13Å
216H90.5Very high92.6Very high107 Ų10755 Ų5550%0.49528%0.276SS..Hα-helixtrans-66.8-44.4175.1178.8-120.1000111.3D214 R220D214-H216 PolarHBondContact O-N 2.77Å; D214-H216 WeakPolarHBondContact OD1-CB 3.25Å; D214-H216 PolarHBondContact OD1-N 3.49Å; D214-H216 VanDerWaalsContact OD1-N 3.13Å; H216-R220 PolarHBondContact CE1-NH1 2.96Å; H216-R220 PolarHBondContact ND1-NH1 3.45Å; H216-R220 WeakPolarHBondContact O-CG 3.4Å; H216-R220 PolarHBondContact O-N 3.37Å
217F90.1Very high92.5Very high11 Ų1160.1 Ų60.15%0.04830%0.298CS..Hα-helixtrans-63.5-46.2172.8176.4-100.8000111.8W213 D214 D219 R220 L221 L316 Y320W213-F217 HydrophobicContact CB-CD1 3.79Å; W213-F217 HydrophobicContact CB-CE1 4.39Å; W213-F217 AromaticContact CD2-CD1 3.99Å; W213-F217 HydrophobicContact CD2-CD1 3.99Å; W213-F217 AromaticContact CD2-CE1 3.66Å; W213-F217 HydrophobicContact CD2-CE1 3.66Å; W213-F217 HydrophobicContact CE3-CD1 4.28Å; W213-F217 AromaticContact CE3-CE1 3.84Å; W213-F217 HydrophobicContact CE3-CE1 3.84Å; W213-F217 AromaticContact CG-CD1 3.74Å; W213-F217 HydrophobicContact CG-CD1 3.74Å; W213-F217 AromaticContact CG-CE1 3.89Å; W213-F217 HydrophobicContact CG-CE1 3.89Å; W213-F217 HydrophobicContact CZ3-CE1 4.43Å; D214-F217 PolarHBondContact O-N 3.37Å; D214-F217 PolarHBondContact OD1-N 3.2Å; F217-D219 VanDerWaalsContact C-N 3.31Å; F217-D219 PolarHBondContact O-N 2.77Å; F217-R220 WeakPolarHBondContact O-CB 3.28Å; F217-R220 PolarHBondContact O-N 2.63Å; F217-R220 VanDerWaalsContact O-N 3.13Å; F217-L221 HydrophobicContact CE1-CD2 4.44Å; F217-L221 PolarHBondContact O-N 2.82Å; F217-L316 HydrophobicContact CD1-CD1 4.43Å; F217-L316 HydrophobicContact CD2-CB 3.86Å; F217-L316 HydrophobicContact CD2-CD1 3.82Å; F217-L316 HydrophobicContact CE1-CD1 4.43Å; F217-L316 HydrophobicContact CE2-CB 3.28Å; F217-L316 HydrophobicContact CE2-CD1 3.88Å; F217-L316 HydrophobicContact CE2-CG 4.16Å; F217-L316 HydrophobicContact CG-CD1 4.12Å; F217-L316 HydrophobicContact CZ-CB 3.86Å; F217-L316 HydrophobicContact CZ-CD1 4.16Å; F217-L316 HydrophobicContact CZ-CG 4.47Å; F217-Y320 HydrophobicContact CZ-CD2 4.21Å
218L92.3Very high92.6Very high10 Ų1061.1 Ų61.15%0.05230%0.303CS..Hα-helixtrans-63.3-37.4-179-65166.7000112.1W213 D214 F215 R220 L221 A222 L233 I236 L240 T252W213-L218 HydrophobicContact CB-CD2 4.34Å; W213-L218 HydrophobicContact CB-CG 4.41Å; W213-L218 HydrophobicContact CE3-CD2 4.1Å; D214-L218 VanDerWaalsContact O-CG 3.29Å; D214-L218 WeakPolarHBondContact O-CG 3.45Å; D214-L218 PolarHBondContact O-N 2.94Å; F215-L218 HydrophobicContact CD1-CD1 3.76Å; F215-L218 HydrophobicContact CE1-CD1 4.18Å; F215-L218 PolarHBondContact O-N 3.13Å; L218-R220 VanDerWaalsContact C-N 3.34Å; L218-R220 PolarHBondContact O-N 2.68Å; L218-L221 WeakPolarHBondContact O-CB 3.35Å; L218-L221 PolarHBondContact O-N 3.02Å; L218-A222 WeakPolarHBondContact O-CB 3.49Å; L218-A222 PolarHBondContact O-N 3.21Å; L218-L233 HydrophobicContact CD2-CD2 4.28Å; L218-I236 HydrophobicContact CD2-CD1 3.58Å; L218-L240 HydrophobicContact CD1-CD1 4.48Å; L218-L240 HydrophobicContact CD1-CD2 3.46Å; L218-L240 VanDerWaalsContact CD1-CD2 3.46Å; L218-T252 HydrophobicContact CD2-CG2 4.47Å
219D93.4Very high92.7Very high89 Ų8958.8 Ų58.848%0.47629%0.289SS..Hα-helixtrans-64.9-37.2174.3-78.3-13000112F215 F217 A222 K223F215-D219 VanDerWaalsContact O-CB 3.22Å; F215-D219 WeakPolarHBondContact O-CB 3.43Å; F215-D219 PolarHBondContact O-N 3.23Å; F217-D219 VanDerWaalsContact C-N 3.31Å; F217-D219 PolarHBondContact O-N 2.77Å; D219-A222 PolarHBondContact O-N 3.11Å; D219-K223 WeakPolarHBondContact O-CD 3.42Å; D219-K223 VanDerWaalsContact O-CG 3.27Å; D219-K223 WeakPolarHBondContact O-CG 3.49Å; D219-K223 PolarHBondContact O-N 3.37Å; D219-K223 VanDerWaalsContact O-N 3.12Å
220R91.5Very high92.8Very high75 Ų7557.7 Ų57.728%0.28329%0.288SS..Hα-helixtrans-65.6-43.2172.8-68.9-166.5-54.9-11416.6111.3H216 F217 L218 A222 K223 S224 D313H216-R220 PolarHBondContact CE1-NH1 2.96Å; H216-R220 PolarHBondContact ND1-NH1 3.45Å; H216-R220 WeakPolarHBondContact O-CG 3.4Å; H216-R220 PolarHBondContact O-N 3.37Å; F217-R220 WeakPolarHBondContact O-CB 3.28Å; F217-R220 PolarHBondContact O-N 2.63Å; F217-R220 VanDerWaalsContact O-N 3.13Å; L218-R220 VanDerWaalsContact C-N 3.34Å; L218-R220 PolarHBondContact O-N 2.68Å; R220-A222 VanDerWaalsContact C-N 3.28Å; R220-A222 PolarHBondContact O-N 2.89Å; R220-K223 PolarHBondContact O-N 3.14Å; R220-S224 PolarHBondContact O-N 2.78Å; R220-D313 IonicContact CZ-OD1 2.85Å; R220-D313 IonicContact NH1-OD1 3.49Å; R220-D313 PolarHBondContact NH1-OD1 2.7Å; R220-D313 IonicContact NH2-OD1 3.73Å; R220-D313 PolarHBondContact NH2-OD1 3.21Å; R220-D313 VanDerWaalsContact NH2-OD1 3.14Å
221L90.9Very high92.9Very high11 Ų1157.5 Ų57.56%0.05829%0.286CS..Hα-helixtrans-61.5-40.6176.8-168.364.5000110.8F217 L218 K223 S224 A229 I232 L233 F322F217-L221 HydrophobicContact CE1-CD2 4.44Å; F217-L221 PolarHBondContact O-N 2.82Å; L218-L221 WeakPolarHBondContact O-CB 3.35Å; L218-L221 PolarHBondContact O-N 3.02Å; L221-K223 VanDerWaalsContact C-N 3.3Å; L221-K223 PolarHBondContact O-N 3.14Å; L221-S224 VanDerWaalsContact O-CB 3.28Å; L221-S224 WeakPolarHBondContact O-CB 3.33Å; L221-S224 PolarHBondContact O-N 2.76Å; L221-S224 VanDerWaalsContact O-N 3.11Å; L221-A229 HydrophobicContact CD1-CB 3.52Å; L221-A229 HydrophobicContact CG-CB 4.05Å; L221-I232 HydrophobicContact CD2-CB 4.39Å; L221-I232 HydrophobicContact CD2-CG2 3.88Å; L221-L233 HydrophobicContact CB-CD1 4.4Å; L221-L233 HydrophobicContact CB-CD2 4.33Å; L221-L233 HydrophobicContact CB-CG 4.46Å; L221-L233 HydrophobicContact CD2-CD1 4.45Å; L221-L233 HydrophobicContact CD2-CD2 3.82Å; L221-L233 HydrophobicContact CD2-CG 3.74Å; L221-L233 HydrophobicContact CG-CD1 4.08Å; L221-L233 HydrophobicContact CG-CD2 4.2Å; L221-L233 HydrophobicContact CG-CG 3.91Å; L221-F322 HydrophobicContact CD1-CE2 3.67Å; L221-F322 HydrophobicContact CD1-CZ 4.02Å
222A93.5Very high93.2Very high62 Ų6257.4 Ų57.451%0.51229%0.285SS..Hα-helixtrans-67.6-27.1178.700000113.7L218 D219 R220 S224 L233L218-A222 WeakPolarHBondContact O-CB 3.49Å; L218-A222 PolarHBondContact O-N 3.21Å; D219-A222 PolarHBondContact O-N 3.11Å; R220-A222 VanDerWaalsContact C-N 3.28Å; R220-A222 PolarHBondContact O-N 2.89Å; A222-S224 VanDerWaalsContact C-N 3.29Å; A222-L233 VanDerWaalsContact CA-CD1 3.46Å; A222-L233 HydrophobicContact CB-CD1 3.92Å
223K95.2Very high93.3Very high168 Ų16856.3 Ų56.373%0.7328%0.282SS*.THydrogen-bonded Turntrans-79.8-9173.7-71.1166.4-174.2168.50113.4D219 R220 L221D219-K223 WeakPolarHBondContact O-CD 3.42Å; D219-K223 VanDerWaalsContact O-CG 3.27Å; D219-K223 WeakPolarHBondContact O-CG 3.49Å; D219-K223 PolarHBondContact O-N 3.37Å; D219-K223 VanDerWaalsContact O-N 3.12Å; R220-K223 PolarHBondContact O-N 3.14Å; L221-K223 VanDerWaalsContact C-N 3.3Å; L221-K223 PolarHBondContact O-N 3.14Å
224S91.5Very high93.6Very high35 Ų3557 Ų5725%0.24529%0.288CS..  trans-78.6133177.5-1730000111.3R220 L221 A222 A226R220-S224 PolarHBondContact O-N 2.78Å; L221-S224 VanDerWaalsContact O-CB 3.28Å; L221-S224 WeakPolarHBondContact O-CB 3.33Å; L221-S224 PolarHBondContact O-N 2.76Å; L221-S224 VanDerWaalsContact O-N 3.11Å; A222-S224 VanDerWaalsContact C-N 3.29Å; S224-A226 PolarHBondContact O-N 2.77Å; S224-A226 WeakPolarHBondContact OG-CB 3.36Å; S224-A226 PolarHBondContact OG-N 2.87Å
225D90.1Very high93.9Very high140 Ų14053.6 Ų53.675%0.74927%0.27SS*.  trans-79.8-6.3171.2-83.8-46.2000114K227 K230D225-K227 PolarHBondContact O-N 3.24Å; D225-K230 PolarHBondContact O-NZ 3.14Å; D225-K230 IonicContact OD1-NZ 2.68Å; D225-K230 PolarHBondContact OD1-NZ 2.86Å; D225-K230 VanDerWaalsContact OD1-NZ 3.08Å
226A93.3Very high94.2Very high19 Ų1949.7 Ų49.716%0.15725%0.253CS..  trans-59.2128.7179.800000111S224 L228 A229 K230 F322S224-A226 PolarHBondContact O-N 2.77Å; S224-A226 WeakPolarHBondContact OG-CB 3.36Å; S224-A226 PolarHBondContact OG-N 2.87Å; A226-L228 PolarHBondContact O-N 3.33Å; A226-A229 HydrophobicContact CB-CB 4.14Å; A226-A229 WeakPolarHBondContact O-CB 3.44Å; A226-A229 PolarHBondContact O-N 2.76Å; A226-K230 PolarHBondContact O-N 2.88Å; A226-F322 HydrophobicContact CB-CB 3.77Å; A226-F322 HydrophobicContact CB-CD1 4.43Å; A226-F322 HydrophobicContact CB-CD2 3.77Å; A226-F322 HydrophobicContact CB-CG 3.71Å
227K95.6Very high94.5Very high113 Ų11351.6 Ų51.649%0.49126%0.256SS..Hα-helixtrans-49.9-43.2176.3178.7-171171.1-158.70112D225 K230 F231D225-K227 PolarHBondContact O-N 3.24Å; K227-K230 PolarHBondContact O-N 3.46Å; K227-F231 WeakPolarHBondContact O-CB 3.03Å; K227-F231 PolarHBondContact O-N 3.41Å
228L96.1Very high94.8Very high20 Ų2055.7 Ų55.711%0.10527%0.271CS..Hα-helixtrans-73-26.4-178.3-69.3173.8000113.5V30 L34 Q65 A226 F231 I232 F322V30-L228 HydrophobicContact CG1-CB 4.37Å; V30-L228 HydrophobicContact CG1-CD1 4.13Å; V30-L228 HydrophobicContact CG2-CD2 4.32Å; L34-L228 HydrophobicContact CD1-CD1 3.75Å; L34-L228 HydrophobicContact CD2-CD1 4.01Å; L34-L228 HydrophobicContact CG-CD1 4.24Å; Q65-L228 HydrophobicContact CB-CD2 3.8Å; Q65-L228 WeakPolarHBondContact O-CD2 3.5Å; A226-L228 PolarHBondContact O-N 3.33Å; L228-F231 HydrophobicContact CD2-CD1 4.07Å; L228-F231 PolarHBondContact O-N 3.1Å; L228-I232 WeakPolarHBondContact O-CG1 3.13Å; L228-I232 PolarHBondContact O-N 3.42Å; L228-F322 HydrophobicContact CB-CD1 3.55Å; L228-F322 HydrophobicContact CB-CE1 3.3Å; L228-F322 HydrophobicContact CB-CZ 4.26Å; L228-F322 HydrophobicContact CD1-CD1 4.26Å
229A94.7Very high95Very high0 Ų055.8 Ų55.80%027%0.271CS..Hα-helixtrans-65.8-47.6170.800000111.1L221 A226 F231 I232 L233 F322L221-A229 HydrophobicContact CD1-CB 3.52Å; L221-A229 HydrophobicContact CG-CB 4.05Å; A226-A229 HydrophobicContact CB-CB 4.14Å; A226-A229 WeakPolarHBondContact O-CB 3.44Å; A226-A229 PolarHBondContact O-N 2.76Å; A229-F231 VanDerWaalsContact C-N 3.29Å; A229-F231 PolarHBondContact O-N 3.01Å; A229-I232 PolarHBondContact O-N 3.39Å; A229-L233 WeakPolarHBondContact O-CG 3.48Å; A229-L233 PolarHBondContact O-N 3.21Å; A229-F322 HydrophobicContact CB-CD2 4.23Å; A229-F322 HydrophobicContact CB-CE2 3.61Å; A229-F322 HydrophobicContact CB-CZ 3.96Å
230K95.6Very high95.1Very high110 Ų11053.4 Ų53.448%0.47826%0.258SS..Hα-helixtrans-61.4-39.5175.7-67.1171.6-179.11620111.3D225 A226 K227 A234D225-K230 PolarHBondContact O-NZ 3.14Å; D225-K230 IonicContact OD1-NZ 2.68Å; D225-K230 PolarHBondContact OD1-NZ 2.86Å; D225-K230 VanDerWaalsContact OD1-NZ 3.08Å; A226-K230 PolarHBondContact O-N 2.88Å; K227-K230 PolarHBondContact O-N 3.46Å; K230-A234 PolarHBondContact O-N 2.75Å; K230-A234 VanDerWaalsContact O-N 3.14Å
231F97.3Very high95.3Very high10 Ų1051.8 Ų51.84%0.04426%0.261CS..Hα-helixtrans-62.1-52.8174.9178.1-130.1000112V26 V30 Y61 T62 Q65 M98 F103 K227 L228 A229 L233 A234 V235V26-F231 HydrophobicContact CG1-CD1 4.31Å; V26-F231 HydrophobicContact CG1-CE1 3.49Å; V26-F231 VanDerWaalsContact CG1-CE1 3.49Å; V26-F231 HydrophobicContact CG1-CZ 3.78Å; V30-F231 HydrophobicContact CG2-CD1 4.4Å; V30-F231 HydrophobicContact CG2-CE1 4.38Å; Y61-F231 AromaticContact CD1-CE2 3.92Å; Y61-F231 HydrophobicContact CD1-CE2 3.92Å; Y61-F231 AromaticContact CD1-CZ 3.97Å; Y61-F231 HydrophobicContact CD1-CZ 3.97Å; Y61-F231 HydrophobicContact CE1-CD2 4.37Å; Y61-F231 AromaticContact CE1-CE2 3.65Å; Y61-F231 HydrophobicContact CE1-CE2 3.65Å; Y61-F231 HydrophobicContact CE1-CZ 4.12Å; T62-F231 HydrophobicContact CG2-CE1 4.29Å; Q65-F231 HydrophobicContact CB-CD1 4.05Å; Q65-F231 HydrophobicContact CB-CE1 4.02Å; Q65-F231 HydrophobicContact CG-CD1 4.01Å; Q65-F231 HydrophobicContact CG-CD2 4.31Å; Q65-F231 HydrophobicContact CG-CE1 3.84Å; Q65-F231 HydrophobicContact CG-CE2 4.18Å; Q65-F231 HydrophobicContact CG-CG 4.24Å; Q65-F231 HydrophobicContact CG-CZ 3.95Å; M98-F231 HydrophobicContact SD-CE2 4.45Å; M98-F231 HydrophobicContact SD-CZ 4.31Å; F103-F231 HydrophobicContact CD1-CE2 4.46Å; F103-F231 HydrophobicContact CD2-CE2 4.24Å; F103-F231 AromaticContact CE1-CD2 3.82Å; F103-F231 HydrophobicContact CE1-CD2 3.82Å; F103-F231 HydrophobicContact CE1-CE2 4.01Å; F103-F231 HydrophobicContact CE2-CD2 4.14Å; F103-F231 AromaticContact CE2-CE2 3.76Å; F103-F231 HydrophobicContact CE2-CE2 3.76Å; F103-F231 AromaticContact CZ-CD2 3.54Å; F103-F231 HydrophobicContact CZ-CD2 3.54Å; F103-F231 AromaticContact CZ-CE2 3.63Å; F103-F231 HydrophobicContact CZ-CE2 3.63Å; K227-F231 WeakPolarHBondContact O-CB 3.03Å; K227-F231 PolarHBondContact O-N 3.41Å; L228-F231 HydrophobicContact CD2-CD1 4.07Å; L228-F231 PolarHBondContact O-N 3.1Å; A229-F231 VanDerWaalsContact C-N 3.29Å; A229-F231 PolarHBondContact O-N 3.01Å; F231-L233 VanDerWaalsContact C-N 3.34Å; F231-L233 PolarHBondContact O-N 3.43Å; F231-A234 PolarHBondContact O-N 2.89Å; F231-A234 VanDerWaalsContact O-N 3.16Å; F231-V235 HydrophobicContact CD2-CG2 3.77Å; F231-V235 HydrophobicContact CE1-CG2 4.46Å; F231-V235 HydrophobicContact CE2-CG2 3.41Å; F231-V235 VanDerWaalsContact CE2-CG2 3.41Å; F231-V235 HydrophobicContact CG-CG2 4.41Å; F231-V235 HydrophobicContact CZ-CG2 3.8Å; F231-V235 WeakPolarHBondContact O-CB 3.21Å; F231-V235 VanDerWaalsContact O-CG2 3.24Å; F231-V235 WeakPolarHBondContact O-CG2 3.29Å; F231-V235 PolarHBondContact O-N 3.4Å
232I97.2Very high95.6Very high1 Ų153.6 Ų53.61%0.00527%0.269CS..Hα-helixtrans-57.9-46178.8-73.5166.1000111V30 W213 L221 L228 A229 A234 V235 I236 Y320 F322V30-I232 HydrophobicContact CB-CD1 4.3Å; V30-I232 HydrophobicContact CG1-CD1 3.99Å; V30-I232 HydrophobicContact CG2-CD1 4.49Å; W213-I232 HydrophobicContact CH2-CG2 4.1Å; W213-I232 HydrophobicContact CZ3-CG2 3.79Å; L221-I232 HydrophobicContact CD2-CB 4.39Å; L221-I232 HydrophobicContact CD2-CG2 3.88Å; L228-I232 WeakPolarHBondContact O-CG1 3.13Å; L228-I232 PolarHBondContact O-N 3.42Å; A229-I232 PolarHBondContact O-N 3.39Å; I232-A234 VanDerWaalsContact C-N 3.29Å; I232-A234 PolarHBondContact O-N 2.97Å; I232-V235 PolarHBondContact O-N 3.37Å; I232-V235 VanDerWaalsContact O-N 3.13Å; I232-I236 HydrophobicContact CG2-CG2 4.32Å; I232-I236 WeakPolarHBondContact O-CG1 3.44Å; I232-I236 PolarHBondContact O-N 3.2Å; I232-Y320 HydrophobicContact CD1-CD1 4.14Å; I232-Y320 HydrophobicContact CD1-CE1 3.86Å; I232-F322 HydrophobicContact CD1-CE1 4.28Å; I232-F322 HydrophobicContact CD1-CZ 4.04Å
233L96.6Very high95.6Very high40 Ų4050.7 Ų50.721%0.20925%0.245CC..Hα-helixtrans-60.1-36.8178.6-74.8167.8000113.5L218 L221 A222 A229 F231L218-L233 HydrophobicContact CD2-CD2 4.28Å; L221-L233 HydrophobicContact CB-CD1 4.4Å; L221-L233 HydrophobicContact CB-CD2 4.33Å; L221-L233 HydrophobicContact CB-CG 4.46Å; L221-L233 HydrophobicContact CD2-CD1 4.45Å; L221-L233 HydrophobicContact CD2-CD2 3.82Å; L221-L233 HydrophobicContact CD2-CG 3.74Å; L221-L233 HydrophobicContact CG-CD1 4.08Å; L221-L233 HydrophobicContact CG-CD2 4.2Å; L221-L233 HydrophobicContact CG-CG 3.91Å; A222-L233 VanDerWaalsContact CA-CD1 3.46Å; A222-L233 HydrophobicContact CB-CD1 3.92Å; A229-L233 WeakPolarHBondContact O-CG 3.48Å; A229-L233 PolarHBondContact O-N 3.21Å; F231-L233 VanDerWaalsContact C-N 3.34Å; F231-L233 PolarHBondContact O-N 3.43Å
234A97.8Very high95.5Very high17 Ų1748.4 Ų48.414%0.1424%0.235CC..Hα-helixtrans-68.2-44.317500000111.1A101 F103 K230 F231 I232 I236 R237A101-A234 HydrophobicContact CB-CB 4.43Å; F103-A234 HydrophobicContact CZ-CB 3.79Å; K230-A234 PolarHBondContact O-N 2.75Å; K230-A234 VanDerWaalsContact O-N 3.14Å; F231-A234 PolarHBondContact O-N 2.89Å; F231-A234 VanDerWaalsContact O-N 3.16Å; I232-A234 VanDerWaalsContact C-N 3.29Å; I232-A234 PolarHBondContact O-N 2.97Å; A234-I236 PolarHBondContact O-N 3.13Å; A234-R237 VanDerWaalsContact O-CB 3.31Å; A234-R237 WeakPolarHBondContact O-CB 3.4Å; A234-R237 PolarHBondContact O-N 3.24Å
235V97.9Very high95.7Very high2 Ų252 Ų521%0.01226%0.255CS..Hα-helixtrans-63.6-40.2-177.8167.40000112.8V26 M98 G99 F103 F231 I232 R237V26-V235 HydrophobicContact CB-CG1 3.85Å; V26-V235 HydrophobicContact CG1-CB 4.48Å; V26-V235 HydrophobicContact CG1-CG1 3.98Å; V26-V235 HydrophobicContact CG1-CG2 4.15Å; V26-V235 HydrophobicContact CG2-CG1 4.04Å; M98-V235 CarbonylContact C-O 3.56Å; M98-V235 HydrophobicContact CB-CG1 4.39Å; M98-V235 HydrophobicContact CB-CG2 4.15Å; M98-V235 HydrophobicContact CG-CG1 4.38Å; M98-V235 HydrophobicContact CG-CG2 4.36Å; M98-V235 WeakPolarHBondContact O-CA 3.3Å; M98-V235 HydrophobicContact SD-CG2 4.37Å; G99-V235 WeakPolarHBondContact CA-O 3.34Å; G99-V235 PolarHBondContact N-O 3.44Å; F103-V235 HydrophobicContact CE2-CG2 3.64Å; F103-V235 HydrophobicContact CZ-CG2 4.01Å; F231-V235 HydrophobicContact CD2-CG2 3.77Å; F231-V235 HydrophobicContact CE1-CG2 4.46Å; F231-V235 HydrophobicContact CE2-CG2 3.41Å; F231-V235 VanDerWaalsContact CE2-CG2 3.41Å; F231-V235 HydrophobicContact CG-CG2 4.41Å; F231-V235 HydrophobicContact CZ-CG2 3.8Å; F231-V235 WeakPolarHBondContact O-CB 3.21Å; F231-V235 VanDerWaalsContact O-CG2 3.24Å; F231-V235 WeakPolarHBondContact O-CG2 3.29Å; F231-V235 PolarHBondContact O-N 3.4Å; I232-V235 PolarHBondContact O-N 3.37Å; I232-V235 VanDerWaalsContact O-N 3.13Å; V235-R237 VanDerWaalsContact C-N 3.3Å; V235-R237 PolarHBondContact O-N 2.83Å
236I96.7Very high95.7Very high4 Ų448.2 Ų48.22%0.02124%0.243CC..THydrogen-bonded Turntrans-83.70.6-177.767.3170.7000114W213 L218 I232 A234 R238 N239 L240 T252W213-I236 HydrophobicContact CE3-CD1 4.05Å; W213-I236 HydrophobicContact CZ3-CD1 4.03Å; W213-I236 HydrophobicContact CZ3-CG2 4.25Å; L218-I236 HydrophobicContact CD2-CD1 3.58Å; I232-I236 HydrophobicContact CG2-CG2 4.32Å; I232-I236 WeakPolarHBondContact O-CG1 3.44Å; I232-I236 PolarHBondContact O-N 3.2Å; A234-I236 PolarHBondContact O-N 3.13Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 3.3Å; I236-N239 PolarHBondContact O-N 2.78Å; I236-N239 VanDerWaalsContact O-N 3.08Å; I236-L240 HydrophobicContact CD1-CD1 3.76Å; I236-L240 HydrophobicContact CD1-CG 4.09Å; I236-L240 HydrophobicContact CG1-CD1 3.82Å; I236-L240 HydrophobicContact CG1-CG 4.19Å; I236-L240 PolarHBondContact O-N 2.83Å; I236-T252 HydrophobicContact CD1-CG2 3.83Å
237R96.8Very high95.5Very high146 Ų14650.3 Ų50.355%0.55125%0.25SC*.Hα-helixtrans-55.8-43.8-171.1-178.1-175.6-67.5155.3-1.2113.3A234 V235 A241A234-R237 VanDerWaalsContact O-CB 3.31Å; A234-R237 WeakPolarHBondContact O-CB 3.4Å; A234-R237 PolarHBondContact O-N 3.24Å; V235-R237 VanDerWaalsContact C-N 3.3Å; V235-R237 PolarHBondContact O-N 2.83Å; R237-A241 PolarHBondContact O-N 3.01Å
238R97.3Very high95.3Very high98 Ų9855.6 Ų55.637%0.3727%0.267SS..Hα-helixtrans-70.5-38.7178.5-70.5-68.4-59.41672.6111.6V92 G99 D100 I236 A241 F242V92-R238 CarbonylContact O-C 3.51Å; G99-R238 VanDerWaalsContact C-CG 3.41Å; G99-R238 VanDerWaalsContact CA-CG 3.5Å; D100-R238 HydrophobicContact CB-CG 4.44Å; D100-R238 WeakPolarHBondContact OD2-CD 3.25Å; D100-R238 IonicContact OD2-NE 2.9Å; D100-R238 PolarHBondContact OD2-NE 3.46Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 3.3Å; R238-A241 WeakPolarHBondContact O-CB 3.43Å; R238-A241 PolarHBondContact O-N 3.04Å; R238-A241 VanDerWaalsContact O-N 3.16Å; R238-F242 WeakPolarHBondContact O-CB 3.23Å; R238-F242 PolarHBondContact O-N 3.39Å
239N96.3Very high95Very high12 Ų1256.5 Ų56.56%0.06427%0.271CS..Hα-helixtrans-62.7-45.9176.4-168.1-31.8000110.7V92 I236 A241 F242 C243 T252V92-N239 HydrophobicContact CG1-CB 4.48Å; V92-N239 VanDerWaalsContact O-CA 3.22Å; V92-N239 WeakPolarHBondContact O-CA 3.46Å; V92-N239 PolarHBondContact O-N 2.89Å; I236-N239 PolarHBondContact O-N 2.78Å; I236-N239 VanDerWaalsContact O-N 3.08Å; N239-A241 VanDerWaalsContact C-N 3.31Å; N239-A241 PolarHBondContact O-N 3.25Å; N239-F242 CarbonylContact O-C 3.59Å; N239-F242 WeakPolarHBondContact O-CB 3.22Å; N239-F242 PolarHBondContact O-N 3.33Å; N239-F242 VanDerWaalsContact O-N 3.07Å; N239-C243 PolarHBondContact O-N 2.66Å; N239-C243 PolarHBondContact OD1-SG 2.9Å; N239-T252 VanDerWaalsContact CG-OG1 3.27Å; N239-T252 PolarHBondContact OD1-OG1 3.23Å; N239-T252 VanDerWaalsContact OD1-OG1 3.08Å
240L95.8Very high94.9Very high38 Ų3861.2 Ų61.220%0.19930%0.296CS..Hα-helixtrans-54.4-44.9172.2-75.9169.8000112.7L218 I236 K244 T252L218-L240 HydrophobicContact CD1-CD1 4.48Å; L218-L240 HydrophobicContact CD1-CD2 3.46Å; L218-L240 VanDerWaalsContact CD1-CD2 3.46Å; I236-L240 HydrophobicContact CD1-CD1 3.76Å; I236-L240 HydrophobicContact CD1-CG 4.09Å; I236-L240 HydrophobicContact CG1-CD1 3.82Å; I236-L240 HydrophobicContact CG1-CG 4.19Å; I236-L240 PolarHBondContact O-N 2.83Å; L240-K244 WeakPolarHBondContact O-CB 3.46Å; L240-K244 PolarHBondContact O-N 2.8Å; L240-T252 HydrophobicContact CD2-CG2 3.97Å; L240-T252 HydrophobicContact CG-CG2 4.45Å
241A96.2Very high94.8Very high42 Ų4256 Ų5635%0.34727%0.274SS..Hα-helixtrans-65.6-39.9177.500000112R237 R238 N239 T245R237-A241 PolarHBondContact O-N 3.01Å; R238-A241 WeakPolarHBondContact O-CB 3.43Å; R238-A241 PolarHBondContact O-N 3.04Å; R238-A241 VanDerWaalsContact O-N 3.16Å; N239-A241 VanDerWaalsContact C-N 3.31Å; N239-A241 PolarHBondContact O-N 3.25Å; A241-T245 WeakPolarHBondContact O-CB 3.5Å; A241-T245 WeakPolarHBondContact O-CG2 3.26Å; A241-T245 PolarHBondContact O-N 3.35Å; A241-T245 PolarHBondContact O-OG1 3.2Å
242F95.4Very high94.7Very high48 Ų4855.6 Ų55.621%0.21127%0.272CS..Hα-helixtrans-65.1-50.1176.1178.7-95.1000111.8E91 V92 R238 N239 K244 T245 A246 Q247E91-F242 HydrophobicContact CG-CE2 4.07Å; V92-F242 HydrophobicContact CB-CD1 4.37Å; V92-F242 HydrophobicContact CB-CG 4.38Å; V92-F242 HydrophobicContact CG1-CD1 4.04Å; V92-F242 HydrophobicContact CG1-CE1 4.49Å; V92-F242 HydrophobicContact CG1-CG 4.37Å; V92-F242 HydrophobicContact CG2-CD1 3.97Å; V92-F242 HydrophobicContact CG2-CD2 4.16Å; V92-F242 HydrophobicContact CG2-CE1 3.8Å; V92-F242 HydrophobicContact CG2-CE2 4Å; V92-F242 HydrophobicContact CG2-CG 4.15Å; V92-F242 HydrophobicContact CG2-CZ 3.82Å; R238-F242 WeakPolarHBondContact O-CB 3.23Å; R238-F242 PolarHBondContact O-N 3.39Å; N239-F242 CarbonylContact O-C 3.59Å; N239-F242 WeakPolarHBondContact O-CB 3.22Å; N239-F242 PolarHBondContact O-N 3.33Å; N239-F242 VanDerWaalsContact O-N 3.07Å; F242-K244 VanDerWaalsContact C-N 3.28Å; F242-K244 PolarHBondContact O-N 3.38Å; F242-T245 PolarHBondContact O-N 3.49Å; F242-A246 HydrophobicContact CD2-CB 3.87Å; F242-A246 HydrophobicContact CE1-CB 4.33Å; F242-A246 HydrophobicContact CE2-CB 3.61Å; F242-A246 HydrophobicContact CG-CB 4.33Å; F242-A246 HydrophobicContact CZ-CB 3.87Å; F242-A246 WeakPolarHBondContact O-CB 3.44Å; F242-A246 PolarHBondContact O-N 3.39Å; F242-Q247 HydrophobicContact CD1-CG 4.47Å; F242-Q247 HydrophobicContact CE1-CG 3.98Å; F242-Q247 PolarHBondContact O-N 2.99Å
243C94Very high94.5Very high1 Ų155.8 Ų55.81%0.00727%0.273CS..Hα-helixtrans-56-43.6176.3-76.60000111.5N239 Q247 R248 M249 G251N239-C243 PolarHBondContact O-N 2.66Å; N239-C243 PolarHBondContact OD1-SG 2.9Å; C243-Q247 CarbonylContact O-C 3.47Å; C243-Q247 VanDerWaalsContact O-C 3.3Å; C243-Q247 WeakPolarHBondContact O-CA 3.46Å; C243-Q247 WeakPolarHBondContact O-CB 3.35Å; C243-Q247 PolarHBondContact O-N 3.13Å; C243-Q247 PolarHBondContact SG-OE1 2.9Å; C243-R248 PolarHBondContact O-N 3.48Å; C243-M249 CarbonylContact C-O 3.34Å; C243-M249 HydrophobicContact CB-CB 4.45Å; C243-M249 HydrophobicContact CB-CE 4.14Å; C243-M249 PolarHBondContact O-N 3.32Å; C243-G251 WeakPolarHBondContact CB-O 3.31Å
244K94.2Very high94.4Very high120 Ų12054 Ų5452%0.52227%0.265SS..Hα-helixtrans-65.1-45.2177.7-174.3169.8-175.2168.40113.1L240 F242 R248 M249L240-K244 WeakPolarHBondContact O-CB 3.46Å; L240-K244 PolarHBondContact O-N 2.8Å; F242-K244 VanDerWaalsContact C-N 3.28Å; F242-K244 PolarHBondContact O-N 3.38Å; K244-R248 WeakPolarHBondContact O-CA 3.29Å; K244-M249 VanDerWaalsContact CA-O 3.31Å; K244-M249 WeakPolarHBondContact CA-O 3.39Å; K244-M249 PolarHBondContact N-O 2.96Å
245T94.2Very high94.2Very high110 Ų11053.4 Ų53.468%0.67526%0.26SS*.Hα-helixtrans-88.4-46.5-170.555.60000113.6A241 F242A241-T245 WeakPolarHBondContact O-CB 3.5Å; A241-T245 WeakPolarHBondContact O-CG2 3.26Å; A241-T245 PolarHBondContact O-N 3.35Å; A241-T245 PolarHBondContact O-OG1 3.2Å; F242-T245 PolarHBondContact O-N 3.49Å
246A90.4Very high94.3Very high61 Ų6153.5 Ų53.550%0.50426%0.26SS..THydrogen-bonded Turntrans-88.5-36.5-17600000112.5F242F242-A246 HydrophobicContact CD2-CB 3.87Å; F242-A246 HydrophobicContact CE1-CB 4.33Å; F242-A246 HydrophobicContact CE2-CB 3.61Å; F242-A246 HydrophobicContact CG-CB 4.33Å; F242-A246 HydrophobicContact CZ-CB 3.87Å; F242-A246 WeakPolarHBondContact O-CB 3.44Å; F242-A246 PolarHBondContact O-N 3.39Å
247Q89Confident94.2Very high63 Ų6353.4 Ų53.429%0.29426%0.259SS..SBendtrans-104.9-9-174.9-59.7178.5-31.600113.7F242 C243 M249F242-Q247 HydrophobicContact CD1-CG 4.47Å; F242-Q247 HydrophobicContact CE1-CG 3.98Å; F242-Q247 PolarHBondContact O-N 2.99Å; C243-Q247 CarbonylContact O-C 3.47Å; C243-Q247 VanDerWaalsContact O-C 3.3Å; C243-Q247 WeakPolarHBondContact O-CA 3.46Å; C243-Q247 WeakPolarHBondContact O-CB 3.35Å; C243-Q247 PolarHBondContact O-N 3.13Å; C243-Q247 PolarHBondContact SG-OE1 2.9Å; Q247-M249 VanDerWaalsContact C-N 3.28Å; Q247-M249 HydrophobicContact CB-CE 3.74Å; Q247-M249 HydrophobicContact CB-CG 4.23Å; Q247-M249 HydrophobicContact CG-CE 4.37Å; Q247-M249 PolarHBondContact O-N 3.45Å
248R91Very high94.2Very high224 Ų22446.9 Ų46.985%0.84524%0.235SC*.  trans56.440.3-178.7-52.7178.8-176.4178.80.3112.7C243 K244C243-R248 PolarHBondContact O-N 3.48Å; K244-R248 WeakPolarHBondContact O-CA 3.29Å
249M91.5Very high94.2Very high40 Ų4042.2 Ų42.220%0.19722%0.218CC..  trans-113136.6176.8-60.7-174.2-55.900110.8F212 C243 K244 Q247 G251 I253F212-M249 HydrophobicContact CE2-CB 3.8Å; F212-M249 HydrophobicContact CE2-CE 4.33Å; F212-M249 HydrophobicContact CE2-SD 4.19Å; F212-M249 HydrophobicContact CZ-CB 4.03Å; C243-M249 CarbonylContact C-O 3.34Å; C243-M249 HydrophobicContact CB-CB 4.45Å; C243-M249 HydrophobicContact CB-CE 4.14Å; C243-M249 PolarHBondContact O-N 3.32Å; K244-M249 VanDerWaalsContact CA-O 3.31Å; K244-M249 WeakPolarHBondContact CA-O 3.39Å; K244-M249 PolarHBondContact N-O 2.96Å; Q247-M249 VanDerWaalsContact C-N 3.28Å; Q247-M249 HydrophobicContact CB-CE 3.74Å; Q247-M249 HydrophobicContact CB-CG 4.23Å; Q247-M249 HydrophobicContact CG-CE 4.37Å; Q247-M249 PolarHBondContact O-N 3.45Å; M249-G251 VanDerWaalsContact C-N 3.32Å; M249-G251 PolarHBondContact O-N 3.33Å; M249-G251 VanDerWaalsContact O-N 3.16Å; M249-I253 HydrophobicContact CE-CD1 3.52Å; M249-I253 HydrophobicContact CE-CG1 4.02Å; M249-I253 HydrophobicContact SD-CD1 4.39Å
250D92Very high94.3Very high98 Ų9841.6 Ų41.652%0.52422%0.215SC..SBendtrans-9064.5-179.4-78.2-37.1000111.4F215F215-D250 HydrophobicContact CD2-CB 3.9Å; F215-D250 HydrophobicContact CE2-CB 3.43Å; F215-D250 VanDerWaalsContact CE2-CB 3.43Å; F215-D250 HydrophobicContact CZ-CB 4.13Å
251G93.5Very high94.3Very high1 Ų140 Ų401%0.0121%0.206CC..EExtended strand (participates in β ladder)trans164.1-164-174.700000112.4F212 W213 C243 M249F212-G251 VanDerWaalsContact CZ-CA 3.43Å; W213-G251 WeakPolarHBondContact O-CA 3.33Å; C243-G251 WeakPolarHBondContact CB-O 3.31Å; M249-G251 VanDerWaalsContact C-N 3.32Å; M249-G251 PolarHBondContact O-N 3.33Å; M249-G251 VanDerWaalsContact O-N 3.16Å
252T94.8Very high94.2Very high2 Ų238 Ų381%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-130.9160.2175.6-171.80000110.3F212 W213 L218 I236 N239 L240F212-T252 WeakPolarHBondContact CD2-O 3.4Å; W213-T252 HydrophobicContact CB-CG2 3.82Å; W213-T252 HydrophobicContact CD2-CG2 4Å; W213-T252 HydrophobicContact CE3-CG2 3.57Å; W213-T252 HydrophobicContact CG-CG2 4.18Å; W213-T252 HydrophobicContact CZ3-CG2 4.37Å; W213-T252 PolarHBondContact N-O 3.19Å; W213-T252 PolarHBondContact O-N 3.24Å; W213-T252 VanDerWaalsContact O-N 3.09Å; L218-T252 HydrophobicContact CD2-CG2 4.47Å; I236-T252 HydrophobicContact CD1-CG2 3.83Å; N239-T252 VanDerWaalsContact CG-OG1 3.27Å; N239-T252 PolarHBondContact OD1-OG1 3.23Å; N239-T252 VanDerWaalsContact OD1-OG1 3.08Å; L240-T252 HydrophobicContact CD2-CG2 3.97Å; L240-T252 HydrophobicContact CG-CG2 4.45Å
253I93.1Very high94.3Very high5 Ų535.8 Ų35.83%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-100120.7174.3-62.1164.5000108.8W204 C207 V208 F212 M249 S255W204-I253 HydrophobicContact CH2-CB 4.34Å; W204-I253 HydrophobicContact CH2-CD1 3.49Å; W204-I253 VanDerWaalsContact CH2-CD1 3.49Å; W204-I253 HydrophobicContact CH2-CG2 4.12Å; W204-I253 HydrophobicContact CZ2-CD1 3.59Å; W204-I253 HydrophobicContact CZ3-CD1 4.47Å; W204-I253 HydrophobicContact CZ3-CG2 4.12Å; C207-I253 HydrophobicContact CB-CG2 4.11Å; V208-I253 HydrophobicContact CB-CD1 4.33Å; V208-I253 HydrophobicContact CG1-CD1 4.46Å; V208-I253 HydrophobicContact CG2-CD1 3.72Å; F212-I253 HydrophobicContact CD2-CG1 3.97Å; M249-I253 HydrophobicContact CE-CD1 3.52Å; M249-I253 HydrophobicContact CE-CG1 4.02Å; M249-I253 HydrophobicContact SD-CD1 4.39Å; I253-S255 VanDerWaalsContact C-N 3.34Å; I253-S255 PolarHBondContact O-N 2.7Å
254G93.5Very high94.3Very high3 Ų335.9 Ų35.93%0.03118%0.182CC..  trans-92.159.4173.700000111.9G211 D256 S257 L258G211-G254 PolarHBondContact O-N 3.36Å; G254-D256 PolarHBondContact O-N 3.01Å; G254-S257 PolarHBondContact O-N 2.86Å; G254-S257 PolarHBondContact O-OG 3.25Å; G254-L258 WeakPolarHBondContact O-CB 2.97Å; G254-L258 PolarHBondContact O-N 3.28Å
255S95.5Very high94.2Very high4 Ų431.5 Ų31.53%0.02816%0.164CC..Hα-helixtrans-48.9-61.4-174.239.40000112.8D24 I253 S257 L258 V259D24-S255 PolarHBondContact OD2-OG 3.5Å; I253-S255 VanDerWaalsContact C-N 3.34Å; I253-S255 PolarHBondContact O-N 2.7Å; S255-S257 PolarHBondContact O-N 2.98Å; S255-L258 WeakPolarHBondContact O-CB 3.42Å; S255-L258 PolarHBondContact O-N 3.14Å; S255-V259 PolarHBondContact O-N 3.37Å
256D98.1Very high94.1Very high3 Ų329.8 Ų29.82%0.01615%0.148CC..Hα-helixtrans-68.6-39.7-173.4-65.1-2000111.7D25 Q137 M163 G254 L258 V259 M260D25-D256 WeakPolarHBondContact CA-OD2 3.3Å; D25-D256 PolarHBondContact N-OD2 3.46Å; Q137-D256 HydrophobicContact CB-CB 4.33Å; M163-D256 WeakPolarHBondContact CG-OD1 3.38Å; G254-D256 PolarHBondContact O-N 3.01Å; D256-L258 PolarHBondContact O-N 2.89Å; D256-V259 PolarHBondContact O-N 3.33Å; D256-V259 VanDerWaalsContact O-N 3.1Å; D256-M260 PolarHBondContact O-N 3.03Å
257S96.5Very high94.2Very high2 Ų231.2 Ų31.21%0.01415%0.154CC..Hα-helixtrans-65.5-28.7177.977.40000113W213 G254 S255 A261 Y320W213-S257 WeakPolarHBondContact CZ2-OG 3.31Å; G254-S257 PolarHBondContact O-N 2.86Å; G254-S257 PolarHBondContact O-OG 3.25Å; S255-S257 PolarHBondContact O-N 2.98Å; S257-A261 VanDerWaalsContact O-CB 3.3Å; S257-A261 WeakPolarHBondContact O-CB 3.37Å; S257-A261 PolarHBondContact O-N 2.94Å; S257-Y320 WeakPolarHBondContact CB-OH 3.4Å; S257-Y320 PolarHBondContact OG-OH 3.48Å
258L95.9Very high94.3Very high9 Ų928.5 Ų28.55%0.04714%0.142CC..Hα-helixtrans-65.5-44.4172.2-176.770.8000110.3I202 V206 D210 G254 S255 D256 A261 V262 V308I202-L258 HydrophobicContact CG2-CD2 4.27Å; V206-L258 HydrophobicContact CG1-CD2 3.96Å; D210-L258 HydrophobicContact CB-CD2 4.49Å; G254-L258 WeakPolarHBondContact O-CB 2.97Å; G254-L258 PolarHBondContact O-N 3.28Å; S255-L258 WeakPolarHBondContact O-CB 3.42Å; S255-L258 PolarHBondContact O-N 3.14Å; D256-L258 PolarHBondContact O-N 2.89Å; L258-A261 WeakPolarHBondContact O-CB 3.4Å; L258-A261 PolarHBondContact O-N 3.45Å; L258-V262 WeakPolarHBondContact O-CG2 3.36Å; L258-V262 PolarHBondContact O-N 3.5Å; L258-V308 HydrophobicContact CD1-CB 3.93Å; L258-V308 HydrophobicContact CD1-CG1 3.8Å; L258-V308 HydrophobicContact CD1-CG2 3.95Å; L258-V308 HydrophobicContact CD2-CG2 4.33Å; L258-V308 HydrophobicContact CG-CG2 4.18Å
259V97.8Very high94.5Very high0 Ų018.7 Ų18.70%011%0.107CC..Hα-helixtrans-65-43.5177.7-170.70000110.7L135 F161 M163 I202 S255 D256 A261 V262 I263L135-V259 HydrophobicContact CD1-CB 3.98Å; L135-V259 HydrophobicContact CD1-CG1 3.41Å; L135-V259 VanDerWaalsContact CD1-CG1 3.41Å; F161-V259 HydrophobicContact CB-CG1 4.13Å; F161-V259 HydrophobicContact CD1-CG1 4.32Å; M163-V259 HydrophobicContact CB-CG2 3.72Å; M163-V259 HydrophobicContact CG-CG2 3.76Å; I202-V259 HydrophobicContact CB-CG2 3.68Å; I202-V259 HydrophobicContact CD1-CB 4.5Å; I202-V259 HydrophobicContact CD1-CG1 3.7Å; I202-V259 HydrophobicContact CD1-CG2 4.28Å; I202-V259 HydrophobicContact CG1-CB 4.48Å; I202-V259 HydrophobicContact CG1-CG1 4.2Å; I202-V259 HydrophobicContact CG1-CG2 3.92Å; I202-V259 HydrophobicContact CG2-CG2 4.03Å; S255-V259 PolarHBondContact O-N 3.37Å; D256-V259 PolarHBondContact O-N 3.33Å; D256-V259 VanDerWaalsContact O-N 3.1Å; V259-A261 VanDerWaalsContact C-N 3.31Å; V259-A261 PolarHBondContact O-N 3.08Å; V259-V262 PolarHBondContact O-N 3.27Å; V259-I263 HydrophobicContact CG1-CD1 4.19Å; V259-I263 WeakPolarHBondContact O-CG1 3.24Å; V259-I263 PolarHBondContact O-N 3.18Å
260M97.5Very high94.7Very high0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-61.1-40175-173.265.1-96.100111.7L15 I17 L31 A32 V38 L135 D256 V262 I263 A264L15-M260 HydrophobicContact CD2-CE 3.67Å; L15-M260 HydrophobicContact CD2-SD 3.44Å; L15-M260 WeakPolarHBondContact CD2-SD 3.2Å; I17-M260 HydrophobicContact CD1-SD 4.31Å; L31-M260 HydrophobicContact CB-CG 4.08Å; L31-M260 HydrophobicContact CD2-CB 4.02Å; L31-M260 HydrophobicContact CD2-CG 3.88Å; L31-M260 HydrophobicContact CG-CG 3.87Å; A32-M260 HydrophobicContact CB-CG 4.18Å; A32-M260 HydrophobicContact CB-SD 3.55Å; A32-M260 VanDerWaalsContact CB-SD 3.55Å; V38-M260 HydrophobicContact CB-CE 4.49Å; V38-M260 HydrophobicContact CG1-CE 4.09Å; V38-M260 HydrophobicContact CG2-CE 3.6Å; L135-M260 HydrophobicContact CD2-CB 4.2Å; L135-M260 HydrophobicContact CD2-SD 4.19Å; D256-M260 PolarHBondContact O-N 3.03Å; M260-V262 PolarHBondContact O-N 2.76Å; M260-I263 HydrophobicContact CE-CB 3.75Å; M260-I263 HydrophobicContact CE-CG2 3.57Å; M260-I263 PolarHBondContact O-N 3.21Å; M260-A264 HydrophobicContact CE-CB 4.34Å; M260-A264 WeakPolarHBondContact O-CB 3.49Å; M260-A264 PolarHBondContact O-N 3.34Å
261A95.3Very high94.9Very high3 Ų318.6 Ų18.63%0.02510%0.104CC..Hα-helixtrans-62.2-41.1173.800000112.3L31 S257 L258 V259 A264 D265 I268L31-A261 HydrophobicContact CD2-CB 4Å; S257-A261 VanDerWaalsContact O-CB 3.3Å; S257-A261 WeakPolarHBondContact O-CB 3.37Å; S257-A261 PolarHBondContact O-N 2.94Å; L258-A261 WeakPolarHBondContact O-CB 3.4Å; L258-A261 PolarHBondContact O-N 3.45Å; V259-A261 VanDerWaalsContact C-N 3.31Å; V259-A261 PolarHBondContact O-N 3.08Å; A261-A264 PolarHBondContact O-N 3.4Å; A261-D265 PolarHBondContact O-N 2.69Å; A261-I268 HydrophobicContact CB-CD1 3.96Å
262V95.5Very high95.1Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-64.7-41.1176170.70000111.5F161 L258 V259 M260 A264 D265 E266 I268 C269 W272 V308F161-V262 HydrophobicContact CE1-CG1 4.34Å; L258-V262 WeakPolarHBondContact O-CG2 3.36Å; L258-V262 PolarHBondContact O-N 3.5Å; V259-V262 PolarHBondContact O-N 3.27Å; M260-V262 PolarHBondContact O-N 2.76Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-D265 CarbonylContact O-C 3.5Å; V262-D265 VanDerWaalsContact O-C 3.22Å; V262-D265 PolarHBondContact O-N 3.13Å; V262-E266 VanDerWaalsContact O-CA 3.28Å; V262-E266 WeakPolarHBondContact O-CA 3.42Å; V262-E266 VanDerWaalsContact O-CG 3.3Å; V262-E266 WeakPolarHBondContact O-CG 3.47Å; V262-E266 PolarHBondContact O-N 3.49Å; V262-E266 VanDerWaalsContact O-N 3.09Å; V262-I268 HydrophobicContact CB-CD1 4.46Å; V262-I268 HydrophobicContact CG2-CD1 3.86Å; V262-I268 HydrophobicContact CG2-CG1 3.96Å; V262-C269 HydrophobicContact CG1-CB 4.15Å; V262-W272 HydrophobicContact CG1-CH2 4.22Å; V262-W272 HydrophobicContact CG1-CZ2 4.08Å; V262-V308 HydrophobicContact CG2-CG2 3.56Å
263I96.3Very high95.2Very high2 Ų223.1 Ų23.11%0.0112%0.123CC..Hα-helixtrans-65.5-40176.2-70.3167.2000111.1V13 L15 L135 F161 V259 M260V13-I263 HydrophobicContact CG1-CG2 3.99Å; L15-I263 HydrophobicContact CD1-CD1 4.46Å; L15-I263 HydrophobicContact CD1-CG2 4.42Å; L135-I263 HydrophobicContact CB-CD1 3.84Å; L135-I263 HydrophobicContact CD1-CD1 4.08Å; L135-I263 HydrophobicContact CD2-CD1 4.11Å; L135-I263 HydrophobicContact CG-CD1 4.24Å; F161-I263 HydrophobicContact CB-CD1 3.74Å; F161-I263 HydrophobicContact CB-CG1 4.22Å; F161-I263 HydrophobicContact CD1-CD1 4.15Å; F161-I263 HydrophobicContact CD1-CG1 3.68Å; F161-I263 HydrophobicContact CD2-CD1 3.9Å; F161-I263 HydrophobicContact CD2-CG1 3.69Å; F161-I263 HydrophobicContact CE1-CG1 3.87Å; F161-I263 HydrophobicContact CE2-CG1 3.87Å; F161-I263 HydrophobicContact CG-CD1 3.67Å; F161-I263 HydrophobicContact CG-CG1 3.58Å; F161-I263 HydrophobicContact CZ-CG1 3.96Å; V259-I263 HydrophobicContact CG1-CD1 4.19Å; V259-I263 WeakPolarHBondContact O-CG1 3.24Å; V259-I263 PolarHBondContact O-N 3.18Å; M260-I263 HydrophobicContact CE-CB 3.75Å; M260-I263 HydrophobicContact CE-CG2 3.57Å; M260-I263 PolarHBondContact O-N 3.21Å
264A94.4Very high95.4Very high4 Ų425 Ų253%0.03314%0.14CC..Hα-helixtrans-68.3-34179.700000113H35 N37 V38 M260 A261 V262H35-A264 HydrophobicContact CB-CB 4.49Å; H35-A264 PolarHBondContact CE1-O 2.83Å; N37-A264 PolarHBondContact ND2-O 2.86Å; V38-A264 HydrophobicContact CG2-CB 3.93Å; M260-A264 HydrophobicContact CE-CB 4.34Å; M260-A264 WeakPolarHBondContact O-CB 3.49Å; M260-A264 PolarHBondContact O-N 3.34Å; A261-A264 PolarHBondContact O-N 3.4Å; V262-A264 VanDerWaalsContact C-N 3.34Å
265D93Very high95.6Very high28 Ų2824.9 Ų24.915%0.1514%0.138CC..  trans-14988.3179-173.27.5000112.1K10 A261 V262 S267 I268K10-D265 IonicContact NZ-OD1 2.7Å; K10-D265 PolarHBondContact NZ-OD1 2.96Å; K10-D265 IonicContact NZ-OD2 3.89Å; K10-D265 PolarHBondContact NZ-OD2 3.41Å; A261-D265 PolarHBondContact O-N 2.69Å; V262-D265 CarbonylContact O-C 3.5Å; V262-D265 VanDerWaalsContact O-C 3.22Å; V262-D265 PolarHBondContact O-N 3.13Å; D265-S267 VanDerWaalsContact CG-OG 3.28Å; D265-S267 PolarHBondContact O-N 3.26Å; D265-S267 WeakPolarHBondContact OD1-CB 3.47Å; D265-S267 PolarHBondContact OD1-N 2.87Å; D265-S267 PolarHBondContact OD1-OG 3.49Å; D265-S267 PolarHBondContact OD2-OG 2.73Å; D265-I268 HydrophobicContact CB-CG2 4.17Å; D265-I268 VanDerWaalsContact O-CG1 3.24Å; D265-I268 WeakPolarHBondContact O-CG1 3.27Å; D265-I268 WeakPolarHBondContact O-CG2 3.38Å; D265-I268 PolarHBondContact O-N 3.44Å
266E91.8Very high95.7Very high74 Ų7426.3 Ų26.335%0.34614%0.143SC..G310 helixtrans-62.4-16.2-178.5-76.1173.2-134.500114.3R159 V262 I268 C269R159-E266 IonicContact CZ-OE1 3.96Å; R159-E266 IonicContact NH1-OE1 3.69Å; R159-E266 PolarHBondContact NH1-OE1 3.42Å; R159-E266 IonicContact NH1-OE2 3.1Å; R159-E266 IonicContact NH2-OE1 3.62Å; V262-E266 VanDerWaalsContact O-CA 3.28Å; V262-E266 WeakPolarHBondContact O-CA 3.42Å; V262-E266 VanDerWaalsContact O-CG 3.3Å; V262-E266 WeakPolarHBondContact O-CG 3.47Å; V262-E266 PolarHBondContact O-N 3.49Å; V262-E266 VanDerWaalsContact O-N 3.09Å; E266-I268 PolarHBondContact O-N 3.02Å; E266-I268 VanDerWaalsContact O-N 3.09Å; E266-C269 WeakPolarHBondContact O-CB 3.39Å; E266-C269 PolarHBondContact O-N 3.08Å
267S92Very high95.7Very high90 Ų9026.2 Ų26.263%0.62914%0.143SC*.G310 helixtrans-63.6-15.6178.871.20000113.4D265 C269D265-S267 VanDerWaalsContact CG-OG 3.28Å; D265-S267 PolarHBondContact O-N 3.26Å; D265-S267 WeakPolarHBondContact OD1-CB 3.47Å; D265-S267 PolarHBondContact OD1-N 2.87Å; D265-S267 PolarHBondContact OD1-OG 3.49Å; D265-S267 PolarHBondContact OD2-OG 2.73Å; S267-C269 VanDerWaalsContact C-N 3.35Å
268I92.1Very high95.8Very high7 Ų729.9 Ų29.94%0.03616%0.16CC..G310 helixtrans-81.5-16.1177.279.3178.1000113.1A261 V262 D265 E266 V308 D309 L315A261-I268 HydrophobicContact CB-CD1 3.96Å; V262-I268 HydrophobicContact CB-CD1 4.46Å; V262-I268 HydrophobicContact CG2-CD1 3.86Å; V262-I268 HydrophobicContact CG2-CG1 3.96Å; D265-I268 HydrophobicContact CB-CG2 4.17Å; D265-I268 VanDerWaalsContact O-CG1 3.24Å; D265-I268 WeakPolarHBondContact O-CG1 3.27Å; D265-I268 WeakPolarHBondContact O-CG2 3.38Å; D265-I268 PolarHBondContact O-N 3.44Å; E266-I268 PolarHBondContact O-N 3.02Å; E266-I268 VanDerWaalsContact O-N 3.09Å; I268-V308 HydrophobicContact CB-CG1 4.2Å; I268-V308 HydrophobicContact CD1-CG1 3.71Å; I268-V308 HydrophobicContact CG1-CG1 3.77Å; I268-V308 WeakPolarHBondContact O-CA 3.39Å; I268-D309 PolarHBondContact O-N 2.94Å; I268-L315 HydrophobicContact CB-CD1 3.61Å; I268-L315 HydrophobicContact CB-CD2 4.38Å; I268-L315 HydrophobicContact CB-CG 4.49Å; I268-L315 HydrophobicContact CD1-CD1 4.44Å; I268-L315 HydrophobicContact CD1-CD2 3.57Å; I268-L315 HydrophobicContact CG2-CD1 3.23Å; I268-L315 HydrophobicContact CG2-CD2 4.09Å; I268-L315 HydrophobicContact CG2-CG 3.91Å
269C94.3Very high95.9Very high17 Ų1730 Ų3012%0.11516%0.161CC..BIsolated β-bridgetrans-80.3125-179.1-179.50000109.3V262 E266 S267 G271 W272 C305V262-C269 HydrophobicContact CG1-CB 4.15Å; E266-C269 WeakPolarHBondContact O-CB 3.39Å; E266-C269 PolarHBondContact O-N 3.08Å; S267-C269 VanDerWaalsContact C-N 3.35Å; C269-G271 PolarHBondContact O-N 2.75Å; C269-G271 PolarHBondContact SG-N 2.9Å; C269-G271 PolarHBondContact SG-O 3.46Å; C269-W272 VanDerWaalsContact SG-CE2 3.59Å; C269-C305 VanDerWaalsContact SG-SG 3.65Å
270R95.4Very high96Very high115 Ų11532.8 Ų32.843%0.43417%0.174SC..  trans-70.99.4176.9-63.4179.2176.2145.64.2113.7D210 K306 G307 V308 D309D210-R270 IonicContact OD1-NH1 2.78Å; R270-K306 HydrophobicContact CB-CB 4.5Å; R270-G307 WeakPolarHBondContact CB-O 3.48Å; R270-G307 PolarHBondContact N-O 3.09Å; R270-V308 PolarHBondContact NH2-O 3Å; R270-D309 IonicContact CZ-OD1 3.36Å; R270-D309 IonicContact NE-OD1 3.14Å; R270-D309 PolarHBondContact NE-OD1 3.26Å; R270-D309 IonicContact NH2-OD1 3.81Å; R270-D309 PolarHBondContact NH2-OD1 3.39Å
271G96.2Very high96Very high22 Ų2234.5 Ų34.523%0.22718%0.184CC..  trans106.7-177.3178.200000113.5C269 K306C269-G271 PolarHBondContact O-N 2.75Å; C269-G271 PolarHBondContact SG-N 2.9Å; C269-G271 PolarHBondContact SG-O 3.46Å; G271-K306 WeakPolarHBondContact O-CB 3.36Å; G271-K306 PolarHBondContact O-N 3.45Å
272W97.7Very high96Very high58 Ų5840 Ų4022%0.2222%0.217CC..EExtended strand (participates in β ladder)trans-126.6144.5-167.7-59.298.8000111.3F161 Y200 I202 V262 C269 R303 V304 C305 K306F161-W272 HydrophobicContact CD1-CH2 4.43Å; F161-W272 AromaticContact CE1-CH2 3.88Å; F161-W272 HydrophobicContact CE1-CH2 3.88Å; F161-W272 HydrophobicContact CE1-CZ2 4.1Å; Y200-W272 AromaticContact CD1-CD2 3.6Å; Y200-W272 HydrophobicContact CD1-CD2 3.6Å; Y200-W272 AromaticContact CD1-CE2 3.64Å; Y200-W272 AromaticContact CD1-CE3 3.64Å; Y200-W272 HydrophobicContact CD1-CE3 3.64Å; Y200-W272 HydrophobicContact CD1-CG 4.28Å; Y200-W272 AromaticContact CD1-CH2 3.81Å; Y200-W272 HydrophobicContact CD1-CH2 3.81Å; Y200-W272 AromaticContact CD1-CZ2 3.76Å; Y200-W272 HydrophobicContact CD1-CZ2 3.76Å; Y200-W272 AromaticContact CD1-CZ3 3.74Å; Y200-W272 HydrophobicContact CD1-CZ3 3.74Å; Y200-W272 AromaticContact CE1-CD2 3.99Å; Y200-W272 HydrophobicContact CE1-CD2 3.99Å; Y200-W272 AromaticContact CE1-CE2 3.9Å; Y200-W272 HydrophobicContact CE1-CE3 4.46Å; Y200-W272 HydrophobicContact CE1-CG 4.25Å; Y200-W272 HydrophobicContact CE1-CZ2 4.32Å; Y200-W272 HydrophobicContact CG-CH2 4.11Å; Y200-W272 HydrophobicContact CG-CZ2 4.33Å; Y200-W272 HydrophobicContact CG-CZ3 4.2Å; I202-W272 HydrophobicContact CD1-CH2 3.9Å; I202-W272 HydrophobicContact CD1-CZ3 4.13Å; V262-W272 HydrophobicContact CG1-CH2 4.22Å; V262-W272 HydrophobicContact CG1-CZ2 4.08Å; C269-W272 VanDerWaalsContact SG-CE2 3.59Å; W272-R303 HydrophobicContact CB-CB 4.11Å; W272-R303 HydrophobicContact CE3-CB 4.24Å; W272-R303 VanDerWaalsContact CE3-O 3.27Å; W272-R303 HydrophobicContact CG-CB 4.5Å; W272-V304 CarbonylContact C-O 3.47Å; W272-V304 WeakPolarHBondContact CA-O 3.48Å; W272-C305 HydrophobicContact CE3-CB 4.16Å; W272-C305 HydrophobicContact CH2-CB 4.34Å; W272-C305 HydrophobicContact CZ3-CB 3.74Å; W272-K306 WeakPolarHBondContact O-CE 3.47Å
273I97.1Very high96Very high39 Ų3940.7 Ų40.720%0.223%0.225CC..EExtended strand (participates in β ladder)trans-105.7113.1170.9-59.1170.3000107.4Y167 N294 R303 V304 K306Y167-I273 HydrophobicContact CE1-CD1 3.77Å; Y167-I273 HydrophobicContact CE2-CG2 4.4Å; I273-N294 HydrophobicContact CG2-CB 4.42Å; I273-R303 CarbonylContact O-C 3.58Å; I273-R303 VanDerWaalsContact O-CA 3.32Å; I273-R303 WeakPolarHBondContact O-CA 3.26Å; I273-V304 PolarHBondContact N-O 2.86Å; I273-V304 PolarHBondContact O-N 3.12Å; I273-K306 HydrophobicContact CD1-CG 3.88Å; I273-K306 HydrophobicContact CG1-CD 4.13Å; I273-K306 HydrophobicContact CG1-CG 3.58Å
274A97.4Very high95.9Very high45 Ų4549.8 Ų49.837%0.37227%0.268SS..EExtended strand (participates in β ladder)trans-73.6130.6170.100000109.2I300 R303A274-I300 HydrophobicContact CB-CD1 3.88Å; A274-I300 HydrophobicContact CB-CG1 4.18Å; A274-I300 HydrophobicContact CB-CG2 3.89Å; A274-R303 HydrophobicContact CB-CG 4.5Å
275C97.7Very high96Very high0 Ų056.6 Ų56.60%030%0.303CS..EExtended strand (participates in β ladder)trans-153.6168178.958.70000111.3V292 D293 N294 N301 V302C275-V292 HydrophobicContact CB-CG1 3.82Å; C275-D293 WeakPolarHBondContact CA-O 3.01Å; C275-D293 VanDerWaalsContact CB-O 3.31Å; C275-D293 WeakPolarHBondContact CB-O 3.48Å; C275-N294 HydrophobicContact CB-CB 3.95Å; C275-N301 PolarHBondContact O-N 3.11Å; C275-N301 PolarHBondContact O-OD1 3.4Å; C275-V302 PolarHBondContact N-O 2.87Å; C275-V302 PolarHBondContact O-N 2.69Å
276Y98.1Very high96.2Very high35 Ų3558.2 Ų58.214%0.13731%0.314CS..EExtended strand (participates in β ladder)trans-93.6120.5162.7-163.8-121.2000109.6Q278 V292 D293 R299 N301Y276-Q278 HydrophobicContact CD1-CG 4.01Å; Y276-Q278 VanDerWaalsContact CE1-CD 3.44Å; Y276-Q278 HydrophobicContact CE1-CG 3.4Å; Y276-V292 WeakPolarHBondContact O-CA 3.29Å; Y276-D293 PolarHBondContact N-O 3.43Å; Y276-D293 PolarHBondContact O-N 3.45Å; Y276-R299 VanDerWaalsContact CB-O 3.26Å; Y276-R299 WeakPolarHBondContact CB-O 3.3Å; Y276-R299 HydrophobicContact CD2-CB 3.92Å; Y276-R299 VanDerWaalsContact CE1-CZ 3.48Å; Y276-R299 HydrophobicContact CG-CB 4.02Å; Y276-R299 PolarHBondContact N-O 3.01Å; Y276-R299 PolarHBondContact OH-NH2 3.37Å; Y276-N301 WeakPolarHBondContact CA-OD1 3.23Å; Y276-N301 HydrophobicContact CD2-CB 4.17Å; Y276-N301 HydrophobicContact CE2-CB 4.27Å
277M98.3Very high96.4Very high1 Ų158 Ų581%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-117.6130.9176.6-174.8179.2-77.400110.4L192 L201 T290 V291 V292 N301 V302 V304L192-M277 HydrophobicContact CD1-CB 4.13Å; L192-M277 HydrophobicContact CD1-CG 3.75Å; L192-M277 HydrophobicContact CD1-SD 3.94Å; L201-M277 HydrophobicContact CD1-CE 4.31Å; L201-M277 HydrophobicContact CD1-SD 3.78Å; L201-M277 HydrophobicContact CD2-CE 4.33Å; M277-T290 HydrophobicContact CE-CG2 4.5Å; M277-T290 HydrophobicContact CG-CG2 4.26Å; M277-T290 HydrophobicContact SD-CG2 3.74Å; M277-V291 WeakPolarHBondContact CA-O 3.43Å; M277-V292 HydrophobicContact CE-CG2 3.63Å; M277-V292 HydrophobicContact CG-CG2 4.11Å; M277-N301 PolarHBondContact N-OD1 3.47Å; M277-N301 PolarHBondContact O-ND2 2.94Å; M277-V302 HydrophobicContact CB-CG1 3.56Å; M277-V302 HydrophobicContact CE-CG1 4.47Å; M277-V302 HydrophobicContact SD-CG1 4.4Å; M277-V304 HydrophobicContact CE-CG2 3.82Å
278Q98.2Very high96.7Very high79 Ų7953.8 Ų53.837%0.36928%0.28SS..EExtended strand (participates in β ladder)trans-118.5166.2171.6-62.5-175.3-102.300110.1Y276 T290 V291Y276-Q278 HydrophobicContact CD1-CG 4.01Å; Y276-Q278 VanDerWaalsContact CE1-CD 3.44Å; Y276-Q278 HydrophobicContact CE1-CG 3.4Å; Q278-T290 CarbonylContact O-C 3.49Å; Q278-T290 VanDerWaalsContact O-CA 3.29Å; Q278-T290 WeakPolarHBondContact O-CA 3.38Å; Q278-V291 PolarHBondContact N-O 3.14Å; Q278-V291 PolarHBondContact O-N 3.16Å
279V98.7Very high97Very high12 Ų1253.9 Ų53.97%0.07328%0.282CS..EExtended strand (participates in β ladder)trans-122.7128.9177.3-1700000108.8F181 P185 A188 L192 T281 A289F181-V279 HydrophobicContact CD1-CG1 4.25Å; F181-V279 HydrophobicContact CD1-CG2 3.78Å; F181-V279 HydrophobicContact CE1-CG2 3.76Å; P185-V279 HydrophobicContact CB-CG1 3.97Å; A188-V279 HydrophobicContact CB-CG1 4.5Å; A188-V279 HydrophobicContact CB-CG2 3.94Å; L192-V279 HydrophobicContact CD1-CG2 3.72Å; V279-T281 PolarHBondContact O-N 3.39Å; V279-A289 WeakPolarHBondContact CA-O 3.22Å
280E98.3Very high97.2Very high58 Ų5854 Ų5427%0.27128%0.282SS..  trans-73.4122.4169.3173.756.4-106.100109.3T282 G283 T286 G288 A289E280-T282 PolarHBondContact OE1-N 3.47Å; E280-T282 PolarHBondContact OE1-OG1 3.06Å; E280-G283 PolarHBondContact OE1-N 3.3Å; E280-T286 WeakPolarHBondContact CB-O 3.21Å; E280-T286 WeakPolarHBondContact CG-O 3.05Å; E280-T286 WeakPolarHBondContact CG-OG1 3.12Å; E280-G288 PolarHBondContact O-N 3.18Å; E280-A289 PolarHBondContact N-O 3.47Å
281T98Very high97.3Very high35 Ų3552.5 Ų52.522%0.21529%0.286CS..SBendtrans-106.3-20.3-172.253.50000113.4P185 V279P185-T281 HydrophobicContact CB-CG2 4.11Å; V279-T281 PolarHBondContact O-N 3.39Å
282T95.6Very high97.3Very high118 Ų11852.6 Ų52.672%0.72428%0.282SS*.SBendtrans-126.4-13.5-169.460.30000114.2E280E280-T282 PolarHBondContact OE1-N 3.47Å; E280-T282 PolarHBondContact OE1-OG1 3.06Å
283G94.4Very high97.3Very high16 Ų1653 Ų5317%0.16529%0.288CS..  trans-61.2134.6-175.900000113.8E280 L285 R287E280-G283 PolarHBondContact OE1-N 3.3Å; G283-L285 PolarHBondContact O-N 2.82Å; G283-R287 VanDerWaalsContact O-CB 3.23Å; G283-R287 WeakPolarHBondContact O-CB 3.5Å; G283-R287 PolarHBondContact O-N 3.13Å
284Q94.8Very high97Very high193 Ų19354.3 Ų54.390%0.90230%0.296SS*.THydrogen-bonded Turntrans-61.2-40.6-177.8-175.4-177.78.300113.3
285L95.9Very high96.8Very high147 Ų14759.4 Ų59.477%0.7732%0.316SS*.THydrogen-bonded Turntrans-101.3-19.9-178.6-62.2177.6000112.9G283G283-L285 PolarHBondContact O-N 2.82Å
286T97.3Very high96.4Very high62 Ų6261.7 Ų61.738%0.3833%0.328SS..THydrogen-bonded Turntrans-120.76.4-16545.80000113.1E280 G288 A289E280-T286 WeakPolarHBondContact CB-O 3.21Å; E280-T286 WeakPolarHBondContact CG-O 3.05Å; E280-T286 WeakPolarHBondContact CG-OG1 3.12Å; T286-G288 PolarHBondContact O-N 3.26Å; T286-A289 WeakPolarHBondContact O-CA 3.27Å; T286-A289 WeakPolarHBondContact O-CB 3.15Å; T286-A289 PolarHBondContact O-N 3.07Å
287R97Very high95.8Very high70 Ų7064 Ų6426%0.26435%0.354SS..THydrogen-bonded Turntrans-52.9128.1173.7179179.6178.2-73.2-0.7111F182 P185 G283 A289F182-R287 PolarHBondContact O-NH1 3.1Å; P185-R287 VanDerWaalsContact CD-NH2 3.26Å; P185-R287 HydrophobicContact CG-CG 3.83Å; P185-R287 VanDerWaalsContact CG-CZ 3.48Å; G283-R287 VanDerWaalsContact O-CB 3.23Å; G283-R287 WeakPolarHBondContact O-CB 3.5Å; G283-R287 PolarHBondContact O-N 3.13Å; R287-A289 VanDerWaalsContact C-N 3.27Å
288G97.8Very high95.5Very high0 Ų072.9 Ų72.90%040%0.396CS..THydrogen-bonded Turntrans83.4-6.5-175.500000114.3A177 E280 T286A177-G288 VanDerWaalsContact CB-C 3.5Å; E280-G288 PolarHBondContact O-N 3.18Å; T286-G288 PolarHBondContact O-N 3.26Å
289A98.3Very high95.2Very high10 Ų1074.8 Ų74.88%0.08340%0.4CS..  trans-68.2140.4176.400000110.4A176 V279 E280 T286 R287A176-A289 HydrophobicContact CB-CB 3.84Å; A176-A289 WeakPolarHBondContact O-CA 3.33Å; A176-A289 WeakPolarHBondContact O-CB 3.49Å; V279-A289 WeakPolarHBondContact CA-O 3.22Å; E280-A289 PolarHBondContact N-O 3.47Å; T286-A289 WeakPolarHBondContact O-CA 3.27Å; T286-A289 WeakPolarHBondContact O-CB 3.15Å; T286-A289 PolarHBondContact O-N 3.07Å; R287-A289 VanDerWaalsContact C-N 3.27Å
290T98.6Very high95.1Very high19 Ų1978.1 Ų78.112%0.11742%0.416CS..EExtended strand (participates in β ladder)trans-85.5136.5168.5620000109.7T166 F181 M277 Q278T166-T290 PolarHBondContact N-OG1 3.06Å; T166-T290 PolarHBondContact O-OG1 2.91Å; T166-T290 PolarHBondContact OG1-OG1 3.18Å; F181-T290 HydrophobicContact CD1-CG2 3.55Å; F181-T290 HydrophobicContact CE1-CG2 3.59Å; F181-T290 HydrophobicContact CG-CG2 4.47Å; M277-T290 HydrophobicContact CE-CG2 4.5Å; M277-T290 HydrophobicContact CG-CG2 4.26Å; M277-T290 HydrophobicContact SD-CG2 3.74Å; Q278-T290 CarbonylContact O-C 3.49Å; Q278-T290 VanDerWaalsContact O-CA 3.29Å; Q278-T290 WeakPolarHBondContact O-CA 3.38Å
291V97.5Very high95.1Very high84 Ų8476.6 Ų76.651%0.50941%0.41SS..EExtended strand (participates in β ladder)trans-113.9120.1174.9-176.70000106.9M277 Q278M277-V291 WeakPolarHBondContact CA-O 3.43Å; Q278-V291 PolarHBondContact N-O 3.14Å; Q278-V291 PolarHBondContact O-N 3.16Å
292V97.2Very high95.1Very high24 Ų2474.9 Ų74.915%0.14540%0.399CS..EExtended strand (participates in β ladder)trans-119.1126-168.6-173.10000110.7Y167 F168 C275 Y276 M277Y167-V292 HydrophobicContact CD2-CG1 3.92Å; Y167-V292 HydrophobicContact CD2-CG2 4.27Å; Y167-V292 HydrophobicContact CE2-CG1 3.71Å; F168-V292 HydrophobicContact CE1-CB 4.42Å; C275-V292 HydrophobicContact CB-CG1 3.82Å; Y276-V292 WeakPolarHBondContact O-CA 3.29Å; M277-V292 HydrophobicContact CE-CG2 3.63Å; M277-V292 HydrophobicContact CG-CG2 4.11Å
293D96.6Very high95.3Very high66 Ų6673.2 Ų73.235%0.35338%0.38SS..EExtended strand (participates in β ladder)trans-109.1113.7164.1-172.5-16.2000108.6C275 Y276 L295 D296C275-D293 WeakPolarHBondContact CA-O 3.01Å; C275-D293 VanDerWaalsContact CB-O 3.31Å; C275-D293 WeakPolarHBondContact CB-O 3.48Å; Y276-D293 PolarHBondContact N-O 3.43Å; Y276-D293 PolarHBondContact O-N 3.45Å; D293-L295 PolarHBondContact OD1-N 2.95Å; D293-D296 PolarHBondContact OD1-N 3.39Å
294N92.1Very high95.4Very high66 Ų6672.5 Ų72.535%0.35337%0.372SS..SBendtrans-109.310.8177.869.3-10.4000112.8Y167 I273 C275Y167-N294 PolarHBondContact OH-ND2 3.48Å; I273-N294 HydrophobicContact CG2-CB 4.42Å; C275-N294 HydrophobicContact CB-CB 3.95Å
295L93.2Very high95.6Very high153 Ų15363.4 Ų63.480%0.80133%0.33SS*.SBendtrans-103.8-29.7177.7-61-179.3000111.7D293 A297D293-L295 PolarHBondContact OD1-N 2.95Å; L295-A297 PolarHBondContact O-N 3.23Å
296D89.4Confident95.7Very high48 Ų4861.7 Ų61.726%0.25732%0.316SS..  trans-73.4104.4173.7-171.6-15.9000111.2D293 E298 R299D293-D296 PolarHBondContact OD1-N 3.39Å; D296-E298 WeakPolarHBondContact OD1-CA 2.88Å; D296-E298 WeakPolarHBondContact OD1-CB 3.32Å; D296-E298 PolarHBondContact OD1-N 3.36Å; D296-R299 PolarHBondContact OD1-N 2.94Å; D296-R299 VanDerWaalsContact OD1-N 3.13Å; D296-R299 WeakPolarHBondContact OD2-CD 3.44Å; D296-R299 WeakPolarHBondContact OD2-CG 3.44Å
297A85.4Confident95.5Very high83 Ų8358.8 Ų58.869%0.68630%0.298SS*.SBendtrans-80.3-13.9178.300000113.8L295L295-A297 PolarHBondContact O-N 3.23Å
298E90.5Very high95.3Very high187 Ų18755.4 Ų55.487%0.87429%0.286SS*.SBendtrans-85.8-28.6-179.2-61.5-169.6167.800111.6D296D296-E298 WeakPolarHBondContact OD1-CA 2.88Å; D296-E298 WeakPolarHBondContact OD1-CB 3.32Å; D296-E298 PolarHBondContact OD1-N 3.36Å
299R92.8Very high94.7Very high120 Ų12058.3 Ų58.345%0.45330%0.301SS..  trans-106.698.7178-62.1177.970.2-170.33.4109.8Y276 D296Y276-R299 VanDerWaalsContact CB-O 3.26Å; Y276-R299 WeakPolarHBondContact CB-O 3.3Å; Y276-R299 HydrophobicContact CD2-CB 3.92Å; Y276-R299 VanDerWaalsContact CE1-CZ 3.48Å; Y276-R299 HydrophobicContact CG-CB 4.02Å; Y276-R299 PolarHBondContact N-O 3.01Å; Y276-R299 PolarHBondContact OH-NH2 3.37Å; D296-R299 PolarHBondContact OD1-N 2.94Å; D296-R299 VanDerWaalsContact OD1-N 3.13Å; D296-R299 WeakPolarHBondContact OD2-CD 3.44Å; D296-R299 WeakPolarHBondContact OD2-CG 3.44Å
300I97.1Very high93.1Very high82 Ų8260.5 Ų60.542%0.42132%0.316SS..  trans-123.4121173.1-61.9162000108.4A274A274-I300 HydrophobicContact CB-CD1 3.88Å; A274-I300 HydrophobicContact CB-CG1 4.18Å; A274-I300 HydrophobicContact CB-CG2 3.89Å
301N97.8Very high90.6Very high25 Ų2564.5 Ų64.513%0.13434%0.344CS..  trans-119.4-14173.867.5-14000113.5L192 C199 C275 Y276 M277L192-N301 VanDerWaalsContact O-CB 3.28Å; L192-N301 WeakPolarHBondContact O-CB 3.26Å; L192-N301 PolarHBondContact O-ND2 2.89Å; C199-N301 WeakPolarHBondContact CB-O 3.32Å; C275-N301 PolarHBondContact O-N 3.11Å; C275-N301 PolarHBondContact O-OD1 3.4Å; Y276-N301 WeakPolarHBondContact CA-OD1 3.23Å; Y276-N301 HydrophobicContact CD2-CB 4.17Å; Y276-N301 HydrophobicContact CE2-CB 4.27Å; M277-N301 PolarHBondContact N-OD1 3.47Å; M277-N301 PolarHBondContact O-ND2 2.94Å
302V98.5Very high87.9Confident0 Ų064.6 Ų64.60%034%0.342CS..EExtended strand (participates in β ladder)trans-148.4153.6179.970.20000112.3L192 L201 C275 M277 V304L192-V302 HydrophobicContact CD2-CB 4.03Å; L192-V302 HydrophobicContact CD2-CG1 4.37Å; L192-V302 HydrophobicContact CD2-CG2 4.28Å; L201-V302 HydrophobicContact CB-CG2 3.52Å; L201-V302 HydrophobicContact CD1-CG2 4.43Å; C275-V302 PolarHBondContact N-O 2.87Å; C275-V302 PolarHBondContact O-N 2.69Å; M277-V302 HydrophobicContact CB-CG1 3.56Å; M277-V302 HydrophobicContact CE-CG1 4.47Å; M277-V302 HydrophobicContact SD-CG1 4.4Å; V302-V304 HydrophobicContact CG1-CG2 4.24Å
303R98.4Very high85.2Confident83 Ų8368 Ų6831%0.31336%0.359SS..EExtended strand (participates in β ladder)trans-114.8110.7172.1-72.6175.8-17278.90.2109.2C199 Y200 L201 W272 I273 A274C199-R303 PolarHBondContact O-N 2.81Å; Y200-R303 CarbonylContact C-O 3.6Å; Y200-R303 VanDerWaalsContact CA-O 3.32Å; Y200-R303 WeakPolarHBondContact CA-O 3.22Å; Y200-R303 HydrophobicContact CD1-CB 3.76Å; Y200-R303 HydrophobicContact CE1-CB 4.1Å; L201-R303 PolarHBondContact N-O 3.11Å; W272-R303 HydrophobicContact CB-CB 4.11Å; W272-R303 HydrophobicContact CE3-CB 4.24Å; W272-R303 VanDerWaalsContact CE3-O 3.27Å; W272-R303 HydrophobicContact CG-CB 4.5Å; I273-R303 CarbonylContact O-C 3.58Å; I273-R303 VanDerWaalsContact O-CA 3.32Å; I273-R303 WeakPolarHBondContact O-CA 3.26Å; A274-R303 HydrophobicContact CB-CG 4.5Å
304V98.3Very high82.5Confident0 Ų068.8 Ų68.80%036%0.364CS..EExtended strand (participates in β ladder)trans-89.6135.4-177.6-176.70000110.6Y167 L201 W272 I273 M277 V302 K306Y167-V304 HydrophobicContact CD2-CB 4.2Å; Y167-V304 HydrophobicContact CD2-CG1 4.07Å; Y167-V304 HydrophobicContact CD2-CG2 4.06Å; Y167-V304 HydrophobicContact CG-CG1 3.89Å; L201-V304 HydrophobicContact CD2-CG1 4.1Å; L201-V304 HydrophobicContact CD2-CG2 4.18Å; L201-V304 CarbonylContact O-C 3.2Å; L201-V304 WeakPolarHBondContact O-CA 3.23Å; W272-V304 CarbonylContact C-O 3.47Å; W272-V304 WeakPolarHBondContact CA-O 3.48Å; I273-V304 PolarHBondContact N-O 2.86Å; I273-V304 PolarHBondContact O-N 3.12Å; M277-V304 HydrophobicContact CE-CG2 3.82Å; V302-V304 HydrophobicContact CG1-CG2 4.24Å; V304-K306 PolarHBondContact O-N 3.4Å
305C98.1Very high80.2Confident3 Ų366.4 Ų66.42%0.0235%0.351CS..EExtended strand (participates in β ladder)trans-64.1130.7178.2-173.50000110.9L201 I202 V206 C269 W272 G307L201-C305 PolarHBondContact O-N 3.21Å; I202-C305 HydrophobicContact CB-CB 4.46Å; I202-C305 HydrophobicContact CG1-CB 3.97Å; V206-C305 HydrophobicContact CG2-CB 4.47Å; V206-C305 WeakPolarHBondContact CG2-O 3.38Å; C269-C305 VanDerWaalsContact SG-SG 3.65Å; W272-C305 HydrophobicContact CE3-CB 4.16Å; W272-C305 HydrophobicContact CH2-CB 4.34Å; W272-C305 HydrophobicContact CZ3-CB 3.74Å; C305-G307 VanDerWaalsContact C-N 3.32Å; C305-G307 PolarHBondContact SG-N 3.25Å; C305-G307 VanDerWaalsContact SG-N 3.39Å; C305-G307 PolarHBondContact SG-O 3.45Å
306K97.1Very high77.8Confident111 Ų11161 Ų6148%0.48332%0.322SS..  trans-72.8-30.5173.4-69.8179.9179178.10111.9R209 R270 G271 W272 I273 V304R209-K306 PolarHBondContact NH2-O 2.9Å; R270-K306 HydrophobicContact CB-CB 4.5Å; G271-K306 WeakPolarHBondContact O-CB 3.36Å; G271-K306 PolarHBondContact O-N 3.45Å; W272-K306 WeakPolarHBondContact O-CE 3.47Å; I273-K306 HydrophobicContact CD1-CG 3.88Å; I273-K306 HydrophobicContact CG1-CD 4.13Å; I273-K306 HydrophobicContact CG1-CG 3.58Å; V304-K306 PolarHBondContact O-N 3.4Å
307G94.4Very high75.6Confident0 Ų060.5 Ų60.50%033%0.325CS..  trans155174-177.700000112.4D210 R270 C305D210-G307 WeakPolarHBondContact OD2-CA 3.2Å; R270-G307 WeakPolarHBondContact CB-O 3.48Å; R270-G307 PolarHBondContact N-O 3.09Å; C305-G307 VanDerWaalsContact C-N 3.32Å; C305-G307 PolarHBondContact SG-N 3.25Å; C305-G307 VanDerWaalsContact SG-N 3.39Å; C305-G307 PolarHBondContact SG-O 3.45Å
308V92.5Very high73.5Confident0 Ų059.8 Ų59.80%031%0.31CS..BIsolated β-bridgetrans-125.2138.5-177.61770000109.4V206 D210 L258 V262 I268 R270 S310V206-V308 HydrophobicContact CG1-CG2 4.42Å; D210-V308 HydrophobicContact CB-CB 3.96Å; D210-V308 PolarHBondContact OD2-N 3.33Å; L258-V308 HydrophobicContact CD1-CB 3.93Å; L258-V308 HydrophobicContact CD1-CG1 3.8Å; L258-V308 HydrophobicContact CD1-CG2 3.95Å; L258-V308 HydrophobicContact CD2-CG2 4.33Å; L258-V308 HydrophobicContact CG-CG2 4.18Å; V262-V308 HydrophobicContact CG2-CG2 3.56Å; I268-V308 HydrophobicContact CB-CG1 4.2Å; I268-V308 HydrophobicContact CD1-CG1 3.71Å; I268-V308 HydrophobicContact CG1-CG1 3.77Å; I268-V308 WeakPolarHBondContact O-CA 3.39Å; R270-V308 PolarHBondContact NH2-O 3Å; V308-S310 VanDerWaalsContact C-N 3.35Å; V308-S310 PolarHBondContact O-N 2.8Å
309D85.4Confident71.4Confident60 Ų6051.5 Ų51.532%0.32127%0.272SS..  trans-72.687.8172.7-76.6-37.1000111I268 R270 L315I268-D309 PolarHBondContact O-N 2.94Å; R270-D309 IonicContact CZ-OD1 3.36Å; R270-D309 IonicContact NE-OD1 3.14Å; R270-D309 PolarHBondContact NE-OD1 3.26Å; R270-D309 IonicContact NH2-OD1 3.81Å; R270-D309 PolarHBondContact NH2-OD1 3.39Å; D309-L315 WeakPolarHBondContact O-CD1 3.44Å
310S63.7Low68.9Low57 Ų5746.4 Ų46.440%0.39925%0.252SS..  trans-82.2-18.8176.759.70000113.8D210 V308 N312D210-S310 WeakPolarHBondContact O-CB 3.49Å; V308-S310 VanDerWaalsContact C-N 3.35Å; V308-S310 PolarHBondContact O-N 2.8Å; S310-N312 CarbonylContact O-C 3.53Å; S310-N312 PolarHBondContact O-N 3.3Å; S310-N312 VanDerWaalsContact O-N 3.11Å
311S47.6Very low66Low102 Ų10250.8 Ų50.871%0.71326%0.264SS*.  trans-68.5-10.1-174.961.50000114.5D313S311-D313 PolarHBondContact O-N 2.75Å; S311-D313 VanDerWaalsContact O-N 3.11Å
312N39.5Very low62.9Low86 Ų8650.8 Ų50.846%0.4626%0.263SS..  trans-72.5102.6162.9-101.7-33.1000106.8S310 N314 L315S310-N312 CarbonylContact O-C 3.53Å; S310-N312 PolarHBondContact O-N 3.3Å; S310-N312 VanDerWaalsContact O-N 3.11Å; N312-N314 HydrophobicContact CB-CB 4Å; N312-N314 PolarHBondContact O-N 2.76Å; N312-L315 HydrophobicContact CB-CB 4.09Å; N312-L315 HydrophobicContact CB-CD1 4.41Å; N312-L315 WeakPolarHBondContact O-CB 3.37Å; N312-L315 PolarHBondContact O-N 2.83Å
313D41.7Very low59.5Low95 Ų9554.9 Ų54.951%0.50829%0.291SS..Hα-helixtrans-45.1-25.6159.4-92.3-44.1000111.4R220 S311 A317R220-D313 IonicContact CZ-OD1 2.85Å; R220-D313 IonicContact NH1-OD1 3.49Å; R220-D313 PolarHBondContact NH1-OD1 2.7Å; R220-D313 IonicContact NH2-OD1 3.73Å; R220-D313 PolarHBondContact NH2-OD1 3.21Å; R220-D313 VanDerWaalsContact NH2-OD1 3.14Å; S311-D313 PolarHBondContact O-N 2.75Å; S311-D313 VanDerWaalsContact O-N 3.11Å; D313-A317 WeakPolarHBondContact O-CB 3.46Å; D313-A317 PolarHBondContact O-N 3.28Å
314N39Very low56Low83 Ų8356.6 Ų56.644%0.44431%0.311SS..Hα-helixtrans-66.7-17.5171.3-74.5-32.2000116.5N312 N318N312-N314 HydrophobicContact CB-CB 4Å; N312-N314 PolarHBondContact O-N 2.76Å; N314-N318 VanDerWaalsContact O-CA 3.32Å; N314-N318 WeakPolarHBondContact O-CA 3.36Å; N314-N318 WeakPolarHBondContact O-CB 3.23Å; N314-N318 PolarHBondContact O-N 3.17Å; N314-N318 PolarHBondContact O-ND2 3.41Å
315L43.2Very low52.6Low17 Ų1758.8 Ų58.89%0.08933%0.326CS..Hα-helixtrans-85.7-56-167.4-147134.2000111.8I268 D309 N312 A317 N318 N319I268-L315 HydrophobicContact CB-CD1 3.61Å; I268-L315 HydrophobicContact CB-CD2 4.38Å; I268-L315 HydrophobicContact CB-CG 4.49Å; I268-L315 HydrophobicContact CD1-CD1 4.44Å; I268-L315 HydrophobicContact CD1-CD2 3.57Å; I268-L315 HydrophobicContact CG2-CD1 3.23Å; I268-L315 HydrophobicContact CG2-CD2 4.09Å; I268-L315 HydrophobicContact CG2-CG 3.91Å; D309-L315 WeakPolarHBondContact O-CD1 3.44Å; N312-L315 HydrophobicContact CB-CB 4.09Å; N312-L315 HydrophobicContact CB-CD1 4.41Å; N312-L315 WeakPolarHBondContact O-CB 3.37Å; N312-L315 PolarHBondContact O-N 2.83Å; L315-A317 VanDerWaalsContact C-N 3.29Å; L315-N318 PolarHBondContact O-N 3.49Å; L315-N319 WeakPolarHBondContact O-CB 3.48Å; L315-N319 VanDerWaalsContact O-CG 3.27Å; L315-N319 PolarHBondContact O-N 3.14Å; L315-N319 PolarHBondContact O-ND2 2.78Å
316L44.5Very low49.2Very low38 Ų3866.9 Ų66.920%0.19936%0.363CS..Hα-helixtrans-66-36.9167.3-61.6170.2000109.5F217 N318 Y320F217-L316 HydrophobicContact CD1-CD1 4.43Å; F217-L316 HydrophobicContact CD2-CB 3.86Å; F217-L316 HydrophobicContact CD2-CD1 3.82Å; F217-L316 HydrophobicContact CE1-CD1 4.43Å; F217-L316 HydrophobicContact CE2-CB 3.28Å; F217-L316 HydrophobicContact CE2-CD1 3.88Å; F217-L316 HydrophobicContact CE2-CG 4.16Å; F217-L316 HydrophobicContact CG-CD1 4.12Å; F217-L316 HydrophobicContact CZ-CB 3.86Å; F217-L316 HydrophobicContact CZ-CD1 4.16Å; F217-L316 HydrophobicContact CZ-CG 4.47Å; L316-N318 PolarHBondContact O-N 2.85Å; L316-Y320 HydrophobicContact CB-CD2 4.02Å; L316-Y320 HydrophobicContact CB-CE2 4.44Å; L316-Y320 HydrophobicContact CD2-CD2 3.96Å; L316-Y320 HydrophobicContact CD2-CE2 3.53Å; L316-Y320 VanDerWaalsContact O-CA 3.27Å; L316-Y320 WeakPolarHBondContact O-CA 3.45Å; L316-Y320 WeakPolarHBondContact O-CB 3.34Å; L316-Y320 WeakPolarHBondContact O-CD2 3.33Å; L316-Y320 PolarHBondContact O-N 3.33Å
317A42.8Very low45.8Very low38 Ų3866.5 Ų66.531%0.31437%0.371SS..Hα-helixtrans-69.5-32.8176.800000114.4D313 L315 Y320 R321D313-A317 WeakPolarHBondContact O-CB 3.46Å; D313-A317 PolarHBondContact O-N 3.28Å; L315-A317 VanDerWaalsContact C-N 3.29Å; A317-Y320 CarbonylContact O-C 3.46Å; A317-R321 WeakPolarHBondContact O-CA 3.5Å; A317-R321 WeakPolarHBondContact O-CB 3.38Å; A317-R321 WeakPolarHBondContact O-CG 3.28Å; A317-R321 PolarHBondContact O-N 3.26Å
318N41.8Very low42.5Very low68 Ų6873 Ų7336%0.36441%0.405SS..Hα-helixtrans-87.2-29.3177.7-65.2-27.3000112.6N314 L315 L316 R321N314-N318 VanDerWaalsContact O-CA 3.32Å; N314-N318 WeakPolarHBondContact O-CA 3.36Å; N314-N318 WeakPolarHBondContact O-CB 3.23Å; N314-N318 PolarHBondContact O-N 3.17Å; N314-N318 PolarHBondContact O-ND2 3.41Å; L315-N318 PolarHBondContact O-N 3.49Å; L316-N318 PolarHBondContact O-N 2.85Å; N318-R321 WeakPolarHBondContact O-CB 3.27Å; N318-R321 PolarHBondContact OD1-NE 2.91Å; N318-R321 VanDerWaalsContact OD1-NE 3.09Å; N318-R321 PolarHBondContact OD1-NH2 2.71Å
319N45.1Very low39.3Very low13 Ų1380.2 Ų80.27%0.0744%0.443CS..Hα-helixtrans-80.2-36.3173.6-69.2-20.7000111.2L31 H35 L315 R321L31-N319 HydrophobicContact CD1-CB 3.78Å; L31-N319 WeakPolarHBondContact CD1-O 3.2Å; H35-N319 PolarHBondContact NE2-OD1 3.18Å; L315-N319 WeakPolarHBondContact O-CB 3.48Å; L315-N319 VanDerWaalsContact O-CG 3.27Å; L315-N319 PolarHBondContact O-N 3.14Å; L315-N319 PolarHBondContact O-ND2 2.78Å; N319-R321 VanDerWaalsContact C-N 3.31Å
320Y41.4Very low36.4Very low13 Ų1384.5 Ų84.55%0.05146%0.464CS..SBendtrans-93.323.7165.6-61.2-91.3000112.5W213 F217 I232 S257 L316 A317 F322W213-Y320 HydrophobicContact CZ2-CE2 4.34Å; W213-Y320 AromaticContact CZ2-CZ 3.85Å; W213-Y320 WeakPolarHBondContact CZ2-OH 3.46Å; F217-Y320 HydrophobicContact CZ-CD2 4.21Å; I232-Y320 HydrophobicContact CD1-CD1 4.14Å; I232-Y320 HydrophobicContact CD1-CE1 3.86Å; S257-Y320 WeakPolarHBondContact CB-OH 3.4Å; S257-Y320 PolarHBondContact OG-OH 3.48Å; L316-Y320 HydrophobicContact CB-CD2 4.02Å; L316-Y320 HydrophobicContact CB-CE2 4.44Å; L316-Y320 HydrophobicContact CD2-CD2 3.96Å; L316-Y320 HydrophobicContact CD2-CE2 3.53Å; L316-Y320 VanDerWaalsContact O-CA 3.27Å; L316-Y320 WeakPolarHBondContact O-CA 3.45Å; L316-Y320 WeakPolarHBondContact O-CB 3.34Å; L316-Y320 WeakPolarHBondContact O-CD2 3.33Å; L316-Y320 PolarHBondContact O-N 3.33Å; A317-Y320 CarbonylContact O-C 3.46Å; Y320-F322 HydrophobicContact CD1-CZ 4.17Å; Y320-F322 VanDerWaalsContact O-CD2 3.23Å; Y320-F322 WeakPolarHBondContact O-CD2 3.35Å; Y320-F322 PolarHBondContact O-N 2.97Å
321R34.7Very low34.4Very low174 Ų17486.1 Ų86.166%0.65748%0.481SS*.  trans-65.387.3156.8-105.5168.3-163.1-166.84.1103.6A317 N318 N319 S323A317-R321 WeakPolarHBondContact O-CA 3.5Å; A317-R321 WeakPolarHBondContact O-CB 3.38Å; A317-R321 WeakPolarHBondContact O-CG 3.28Å; A317-R321 PolarHBondContact O-N 3.26Å; N318-R321 WeakPolarHBondContact O-CB 3.27Å; N318-R321 PolarHBondContact OD1-NE 2.91Å; N318-R321 VanDerWaalsContact OD1-NE 3.09Å; N318-R321 PolarHBondContact OD1-NH2 2.71Å; N319-R321 VanDerWaalsContact C-N 3.31Å; R321-S323 PolarHBondContact O-N 2.71Å
322F33.6Very low33.3Very low26 Ų2685.2 Ų85.211%0.11447%0.474CS..  trans-48.5106.6154-55.3-72.7000102.5V30 L34 L221 A226 L228 A229 I232 Y320 V324V30-F322 HydrophobicContact CG1-CE1 4.24Å; L34-F322 HydrophobicContact CD1-CD1 3.76Å; L34-F322 HydrophobicContact CD1-CE1 4.19Å; L221-F322 HydrophobicContact CD1-CE2 3.67Å; L221-F322 HydrophobicContact CD1-CZ 4.02Å; A226-F322 HydrophobicContact CB-CB 3.77Å; A226-F322 HydrophobicContact CB-CD1 4.43Å; A226-F322 HydrophobicContact CB-CD2 3.77Å; A226-F322 HydrophobicContact CB-CG 3.71Å; L228-F322 HydrophobicContact CB-CD1 3.55Å; L228-F322 HydrophobicContact CB-CE1 3.3Å; L228-F322 HydrophobicContact CB-CZ 4.26Å; L228-F322 HydrophobicContact CD1-CD1 4.26Å; A229-F322 HydrophobicContact CB-CD2 4.23Å; A229-F322 HydrophobicContact CB-CE2 3.61Å; A229-F322 HydrophobicContact CB-CZ 3.96Å; I232-F322 HydrophobicContact CD1-CE1 4.28Å; I232-F322 HydrophobicContact CD1-CZ 4.04Å; Y320-F322 HydrophobicContact CD1-CZ 4.17Å; Y320-F322 VanDerWaalsContact O-CD2 3.23Å; Y320-F322 WeakPolarHBondContact O-CD2 3.35Å; Y320-F322 PolarHBondContact O-N 2.97Å; F322-V324 PolarHBondContact O-N 3.29Å
323S27.8Very low32.8Very low85 Ų8591.3 Ų91.359%0.59450%0.5SS*.  trans-58.596.4165.553.10000103.4R321 S325R321-S323 PolarHBondContact O-N 2.71Å; S323-S325 PolarHBondContact O-N 3.08Å
324V24.3Very low32.3Very low120 Ų12089.6 Ų89.673%0.72750%0.504SS*.  trans-58.1101.1150.1-172.50000101.2F322 E326F322-V324 PolarHBondContact O-N 3.29Å; V324-E326 PolarHBondContact O-N 3.17Å
325S26.2Very low31.8Very low45 Ų4591 Ų9132%0.31552%0.52SS..  trans-52.3109.4168.225.70000105.7S323 T327 D328S323-S325 PolarHBondContact O-N 3.08Å; S325-T327 WeakPolarHBondContact CB-OG1 3.16Å; S325-T327 PolarHBondContact O-N 3.44Å; S325-D328 PolarHBondContact O-N 2.93Å; S325-D328 PolarHBondContact OG-OD2 3.26Å
326E27.1Very low31.2Very low173 Ų17398.3 Ų98.381%0.80856%0.559SS**G310 helixtrans-55.9-12.2158.8-78.3-175.9155.800110.5V324 D328 L329V324-E326 PolarHBondContact O-N 3.17Å; E326-D328 VanDerWaalsContact C-N 3.33Å; E326-D328 PolarHBondContact O-N 3.01Å; E326-L329 PolarHBondContact O-N 3.41Å
327T25.7Very low30.4Very low104 Ų10499.9 Ų99.964%0.63858%0.584SS**G310 helixtrans-73.3-5.8173.725.70000116.6S325 L329S325-T327 WeakPolarHBondContact CB-OG1 3.16Å; S325-T327 PolarHBondContact O-N 3.44Å; T327-L329 VanDerWaalsContact C-N 3.28Å
328D25.5Very low29.9Very low136 Ų136104 Ų10473%0.72761%0.607SS**G310 helixtrans-86.44.3166.1-72.4-33000113.4S325 E326S325-D328 PolarHBondContact O-N 2.93Å; S325-D328 PolarHBondContact OG-OD2 3.26Å; E326-D328 VanDerWaalsContact C-N 3.33Å; E326-D328 PolarHBondContact O-N 3.01Å
329L24Very low29.3Very low152 Ų152109.1 Ų109.180%0.79663%0.634SS**G310 helixtrans-98.49.1171.2-86.6163000114.5E326 T327 A331E326-L329 PolarHBondContact O-N 3.41Å; T327-L329 VanDerWaalsContact C-N 3.28Å; L329-A331 PolarHBondContact O-N 3.46Å
330I24.8Very low28.5Very low149 Ų149112.1 Ų112.176%0.76467%0.668SS**  trans-102.962.9170.2-46.2-177.9000110.4
331A23.4Very low27.8Very low91 Ų91116.4 Ų116.475%0.75271%0.706SS**  trans-154.5112151.800000104.8L329L329-A331 PolarHBondContact O-N 3.46Å
332C24.5Very low27.6Very low84 Ų84117.2 Ų117.257%0.56871%0.714SS**  cis-158.2110.540.2174.30000107.6G334 C335C332-G334 VanDerWaalsContact C-N 3.28Å; C332-G334 PolarHBondContact O-N 3.49Å; C332-C335 VanDerWaalsContact SG-SG 3.68Å
333E27.5Very low27.3Very low213 Ų213121.2 Ų121.2100%0.99575%0.745SS**THydrogen-bonded Turntrans-63.196.7151.6-74.2-171.1157.400106.5
334G32.5Very low27.4Very low59 Ų59125 Ų12561%0.60876%0.757SS**THydrogen-bonded Turntrans155.1-15.2174.500000118C332 N336C332-G334 VanDerWaalsContact C-N 3.28Å; C332-G334 PolarHBondContact O-N 3.49Å; G334-N336 PolarHBondContact O-N 3.49Å; G334-N336 VanDerWaalsContact O-N 3.16Å
335C28.6Very low27.4Very low114 Ų114129.6 Ų129.677%0.7776%0.761SS**  trans-90.385.6-179.6-76.10000112.5C332 G337C332-C335 VanDerWaalsContact SG-SG 3.68Å; C335-G337 PolarHBondContact O-N 3.4Å
336N29Very low27.6Very low170 Ų170133.2 Ų133.291%0.90978%0.784SS**  trans-61119.1158.9-75-46.8000110.8G334G334-N336 PolarHBondContact O-N 3.49Å; G334-N336 VanDerWaalsContact O-N 3.16Å
337G28.9Very low27.8Very low70 Ų70131 Ų13172%0.72278%0.782SS**  trans175.8145.3167.900000114C335C335-G337 PolarHBondContact O-N 3.4Å
338P32.3Very low28Very low124 Ų124133.9 Ų133.981%0.80579%0.792SS**  trans-99.6149.5-132.936.3-34.8000117.2
339L27.6Very low28.4Very low177 Ų177135 Ų13593%0.92780%0.798SS**  trans20112.1142.6-71158.4000118.3
340G29.4Very low28.6Very low75 Ų75131.6 Ų131.677%0.77379%0.792SS**  trans-151.264.6165.100000112K342G340-K342 PolarHBondContact O-N 3.01Å; G340-K342 VanDerWaalsContact O-N 3.1Å
341A27.1Very low29.2Very low103 Ų103134.1 Ų134.185%0.85182%0.818SS**  trans-63.9106.2167.900000109.7
342K30.1Very low29.5Very low192 Ų192136.3 Ų136.384%0.83582%0.821SS**  trans-119.1104.7160.7-80.3-171.9177.7179.30108.9G340 I344G340-K342 PolarHBondContact O-N 3.01Å; G340-K342 VanDerWaalsContact O-N 3.1Å; K342-I344 PolarHBondContact O-N 3.46Å
343S27Very low29.8Very low110 Ų110139.1 Ų139.177%0.76983%0.834SS**  trans-53.8122.4165.646.40000110.3
344I29.1Very low29.9Very low164 Ų164134.9 Ų134.984%0.84183%0.825SS**  trans-101.3101.1166.1-60.1177.5000106K342K342-I344 PolarHBondContact O-N 3.46Å
345R25.7Very low29.8Very low216 Ų216139.4 Ų139.482%0.81584%0.838SS**  trans-78.9139.8167.5-76.5-173.3177-164.30109V347R345-V347 PolarHBondContact O-N 3.16Å
346P29.5Very low29.8Very low122 Ų122141 Ų14179%0.79284%0.842SS**  trans-72.3127177.827.9-32.1000111
347V31.1Very low29.9Very low125 Ų125139.1 Ų139.176%0.75884%0.838SS**  trans-90.5106.1169177.80000107.4R345 L349R345-V347 PolarHBondContact O-N 3.16Å; V347-L349 HydrophobicContact CG1-CD2 4.44Å; V347-L349 HydrophobicContact CG1-CG 4.33Å; V347-L349 PolarHBondContact O-N 3.1Å
348L30.1Very low30Very low165 Ų165144 Ų14486%0.86485%0.846SS**  trans-69.5115.7160.7-91.2140.6000107.8
349L35.1Very low29.8Very low160 Ų160145.5 Ų145.584%0.83885%0.85SS**  trans-90.4109.4162.7-74169.4000107.7V347V347-L349 HydrophobicContact CG1-CD2 4.44Å; V347-L349 HydrophobicContact CG1-CG 4.33Å; V347-L349 PolarHBondContact O-N 3.1Å
350A27.7Very low30Very low81 Ų81142.9 Ų142.967%0.66984%0.843SS**  trans-70.5170.8166.700000110.8
351P37.5Very low30Very low202 Ų202149.1 Ų149.1100%1.31285%0.849SS**  -111.7088.4-0.618.6000113.9

Retrieved 351 of 351 residues in 79.2 ms (Link to these results)

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