A0A061HYL1_CRIGR Loading...

Probable N-acetyltransferase 14

Probable acetyltransferase.

AlphaFold DB , UniProt , Accession A0A061HYL1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC113837248, Length 206 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
1M42.3Very low70.5Confident246 Ų24687.1 Ų87.1100%1.21247%0.474SS*.  0122.90-84173.2165.100108.6
2A41.4Very low71.5Confident80 Ų8091.8 Ų91.866%0.66148%0.48SS*.  trans-72126-171.600000111.7N4 H5A2-N4 PolarHBondContact O-N 3.45Å; A2-H5 PolarHBondContact O-N 2.88Å
3P51.8Low72Confident111 Ų11195.6 Ų95.672%0.72150%0.501SS*.THydrogen-bonded Turntrans-70.110.4-172.127.1-35000115.4
4N60.1Low72.6Confident113 Ų11397 Ų9760%0.60451%0.509SS*.THydrogen-bonded Turntrans-128.813-174.5-73.1-49.4000114.1A2 L6A2-N4 PolarHBondContact O-N 3.45Å; N4-L6 PolarHBondContact O-N 3.1Å
5H74.1Confident73.1Confident121 Ų12191.7 Ų91.756%0.5648%0.481SS*.  trans-68.7122.5179.4-163.7-122.8000110.7A2 G103A2-H5 PolarHBondContact O-N 2.88Å; H5-G103 PolarHBondContact O-N 3.26Å
6L82.3Confident73.4Confident11 Ų1192.8 Ų92.86%0.05848%0.48CS..EExtended strand (participates in β ladder)trans-108.6109.9-179.8-160.2136.4000108.6N4 A100 V139 R142N4-L6 PolarHBondContact O-N 3.1Å; L6-A100 HydrophobicContact CD2-CB 4.06Å; L6-V139 HydrophobicContact CD1-CB 4.3Å; L6-V139 HydrophobicContact CD1-CG1 4.34Å; L6-V139 HydrophobicContact CD1-CG2 3.69Å; L6-R142 HydrophobicContact CD2-CB 3.79Å; L6-R142 HydrophobicContact CD2-CG 3.73Å; L6-R142 PolarHBondContact O-NE 2.82Å; L6-R142 PolarHBondContact O-NH2 3.25Å
7S85.8Confident73.7Confident46 Ų4692.1 Ų92.132%0.32248%0.483SS..EExtended strand (participates in β ladder)trans-109139.7-178.9540000110V101S7-V101 PolarHBondContact N-O 3.35Å; S7-V101 PolarHBondContact O-N 2.88Å; S7-V101 PolarHBondContact OG-O 2.99Å
8V85.4Confident74.1Confident31 Ų3191.9 Ų91.919%0.18848%0.482CS..EExtended strand (participates in β ladder)trans-101.3127.5171.4-174.90000107.4W98 V99 R142 L143 F146V8-W98 HydrophobicContact CG1-CB 3.99Å; V8-V99 WeakPolarHBondContact CA-O 3.43Å; V8-R142 HydrophobicContact CG2-CG 4.44Å; V8-L143 HydrophobicContact CG1-CD2 4.13Å; V8-L143 HydrophobicContact CG2-CD2 4.06Å; V8-F146 HydrophobicContact CB-CB 4.37Å; V8-F146 HydrophobicContact CB-CD1 4.45Å; V8-F146 HydrophobicContact CB-CD2 3.84Å; V8-F146 HydrophobicContact CB-CE2 4.23Å; V8-F146 HydrophobicContact CB-CG 3.95Å; V8-F146 HydrophobicContact CG1-CB 4.3Å; V8-F146 HydrophobicContact CG1-CD1 3.66Å; V8-F146 HydrophobicContact CG1-CD2 3.89Å; V8-F146 HydrophobicContact CG1-CE1 3.89Å; V8-F146 HydrophobicContact CG1-CE2 4.09Å; V8-F146 HydrophobicContact CG1-CG 3.66Å; V8-F146 HydrophobicContact CG1-CZ 4.09Å; V8-F146 HydrophobicContact CG2-CB 4.15Å; V8-F146 HydrophobicContact CG2-CD2 4.45Å; V8-F146 HydrophobicContact CG2-CG 4.27Å
9R85.8Confident74.3Confident52 Ų5287.4 Ų87.420%0.19646%0.459CS..EExtended strand (participates in β ladder)trans-139.6167.317864167.4174.179.8-4.1111E15 W98 V99 V101R9-E15 IonicContact CZ-OE1 3.57Å; R9-E15 IonicContact CZ-OE2 3.54Å; R9-E15 IonicContact NH1-OE1 2.57Å; R9-E15 IonicContact NH1-OE2 3.67Å; R9-E15 PolarHBondContact NH1-OE2 3.33Å; R9-E15 VanDerWaalsContact NH2-CD 3.29Å; R9-E15 IonicContact NH2-OE1 3.54Å; R9-E15 PolarHBondContact NH2-OE1 3.33Å; R9-E15 IonicContact NH2-OE2 2.64Å; R9-E15 PolarHBondContact NH2-OE2 3.37Å; R9-W98 WeakPolarHBondContact O-CA 3.38Å; R9-V99 PolarHBondContact N-O 2.79Å; R9-V99 PolarHBondContact O-N 3.44Å; R9-V101 HydrophobicContact CG-CG2 4.19Å
10E83.4Confident74.3Confident114 Ų11486.6 Ų86.653%0.53345%0.454SS..EExtended strand (participates in β ladder)trans-64.1142.5172-165.4164.1-16800110.4R12 W98E10-R12 PolarHBondContact O-N 3.26Å; E10-W98 HydrophobicContact CB-CE3 4.37Å; E10-W98 HydrophobicContact CB-CZ3 4.14Å
11M83.6Confident74.5Confident33 Ų3387.7 Ų87.716%0.16346%0.457CS..PPolyproline II helixtrans-62.4132.8175.8-172.1-179.878.100109.5E15 K16 V19 P97 V99M11-E15 HydrophobicContact CG-CB 4.29Å; M11-K16 HydrophobicContact CE-CB 3.87Å; M11-K16 HydrophobicContact CE-CD 4.39Å; M11-K16 HydrophobicContact CE-CG 3.87Å; M11-K16 HydrophobicContact SD-CB 4.39Å; M11-V19 HydrophobicContact CG-CG2 4.18Å; M11-V19 HydrophobicContact SD-CB 3.79Å; M11-V19 HydrophobicContact SD-CG1 3.76Å; M11-V19 HydrophobicContact SD-CG2 3.76Å; M11-P97 HydrophobicContact CB-CB 4.31Å; M11-P97 HydrophobicContact CB-CG 3.98Å; M11-P97 WeakPolarHBondContact CB-O 3.37Å; M11-P97 HydrophobicContact CE-CB 4.48Å; M11-P97 HydrophobicContact CE-CG 3.57Å; M11-P97 PolarHBondContact N-O 3.05Å; M11-P97 HydrophobicContact SD-CB 4.1Å; M11-P97 HydrophobicContact SD-CG 3.81Å; M11-V99 HydrophobicContact CB-CG2 3.63Å; M11-V99 HydrophobicContact CG-CG2 3.82Å
12R82.4Confident76.1Confident144 Ų14477.3 Ų77.354%0.54341%0.406SS..PPolyproline II helixtrans-86.9155.7168.7-64.6167-179.6-176.3-1110.2E10 D14 E15 K16E10-R12 PolarHBondContact O-N 3.26Å; R12-D14 WeakPolarHBondContact CB-OD1 3.3Å; R12-D14 PolarHBondContact O-N 2.95Å; R12-E15 HydrophobicContact CB-CG 4.42Å; R12-E15 PolarHBondContact N-OE2 3.5Å; R12-E15 PolarHBondContact O-N 3.1Å; R12-K16 PolarHBondContact O-N 3.45Å
13D77.6Confident77.8Confident141 Ų14174.5 Ų74.575%0.75438%0.38SS*.G310 helixtrans-62.7-29.8-176.4-72-45.5000113.6E15 K16D13-E15 VanDerWaalsContact C-N 3.27Å; D13-E15 PolarHBondContact O-N 3.21Å; D13-K16 VanDerWaalsContact O-CB 3.28Å; D13-K16 WeakPolarHBondContact O-CB 3.45Å; D13-K16 PolarHBondContact O-N 3.24Å
14D80.8Confident78.8Confident115 Ų11575.8 Ų75.862%0.61537%0.374SS*.G310 helixtrans-67.3-25.3175.360.3-48.1000113.1R12 P17R12-D14 WeakPolarHBondContact CB-OD1 3.3Å; R12-D14 PolarHBondContact O-N 2.95Å; D14-P17 WeakPolarHBondContact O-CD 3.38Å
15E80.5Confident79.4Confident17 Ų1772.7 Ų72.78%0.07936%0.364CS..G310 helixtrans-91.1-12.1-178.1-59.9175.5136.300112.9R9 M11 R12 D13 P17 L18 V19 V107R9-E15 IonicContact CZ-OE1 3.57Å; R9-E15 IonicContact CZ-OE2 3.54Å; R9-E15 IonicContact NH1-OE1 2.57Å; R9-E15 IonicContact NH1-OE2 3.67Å; R9-E15 PolarHBondContact NH1-OE2 3.33Å; R9-E15 VanDerWaalsContact NH2-CD 3.29Å; R9-E15 IonicContact NH2-OE1 3.54Å; R9-E15 PolarHBondContact NH2-OE1 3.33Å; R9-E15 IonicContact NH2-OE2 2.64Å; R9-E15 PolarHBondContact NH2-OE2 3.37Å; M11-E15 HydrophobicContact CG-CB 4.29Å; R12-E15 HydrophobicContact CB-CG 4.42Å; R12-E15 PolarHBondContact N-OE2 3.5Å; R12-E15 PolarHBondContact O-N 3.1Å; D13-E15 VanDerWaalsContact C-N 3.27Å; D13-E15 PolarHBondContact O-N 3.21Å; E15-P17 VanDerWaalsContact C-CD 3.5Å; E15-L18 WeakPolarHBondContact O-CB 3.49Å; E15-L18 PolarHBondContact O-N 3Å; E15-L18 VanDerWaalsContact O-N 3.1Å; E15-V19 WeakPolarHBondContact O-CG2 3.48Å; E15-V19 PolarHBondContact O-N 2.98Å; E15-V107 HydrophobicContact CG-CG2 4.46Å
16K77.8Confident79.2Confident110 Ų11067.8 Ų67.848%0.47835%0.346SS..Hα-helixtrans-49.4-48.5178.4-170.5175.3-177.2177.20114.2M11 R12 D13 L18 V19 L20M11-K16 HydrophobicContact CE-CB 3.87Å; M11-K16 HydrophobicContact CE-CD 4.39Å; M11-K16 HydrophobicContact CE-CG 3.87Å; M11-K16 HydrophobicContact SD-CB 4.39Å; R12-K16 PolarHBondContact O-N 3.45Å; D13-K16 VanDerWaalsContact O-CB 3.28Å; D13-K16 WeakPolarHBondContact O-CB 3.45Å; D13-K16 PolarHBondContact O-N 3.24Å; K16-L18 VanDerWaalsContact C-N 3.33Å; K16-L18 PolarHBondContact O-N 2.64Å; K16-V19 PolarHBondContact O-N 3.25Å; K16-L20 HydrophobicContact CG-CD1 4.16Å; K16-L20 WeakPolarHBondContact O-CB 3.36Å; K16-L20 VanDerWaalsContact O-CG 3.27Å; K16-L20 WeakPolarHBondContact O-CG 3.39Å; K16-L20 PolarHBondContact O-N 2.83Å
17P78.1Confident78.6Confident80 Ų8068.7 Ų68.752%0.51935%0.352SS..Hα-helixtrans-63.4-38.5178.924.6-34.6000112.4D14 E15 L20 E21D14-P17 WeakPolarHBondContact O-CD 3.38Å; E15-P17 VanDerWaalsContact C-CD 3.5Å; P17-L20 PolarHBondContact O-N 3.18Å; P17-E21 WeakPolarHBondContact O-CG 3.23Å; P17-E21 PolarHBondContact O-N 3.4Å
18L80.7Confident77.9Confident90 Ų9073 Ų7347%0.47137%0.365SS..Hα-helixtrans-66-44.5178.3-176.968.9000111.4E15 K16 L20 E21 M22 V107E15-L18 WeakPolarHBondContact O-CB 3.49Å; E15-L18 PolarHBondContact O-N 3Å; E15-L18 VanDerWaalsContact O-N 3.1Å; K16-L18 VanDerWaalsContact C-N 3.33Å; K16-L18 PolarHBondContact O-N 2.64Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L18-E21 PolarHBondContact O-N 3.25Å; L18-M22 WeakPolarHBondContact O-CB 3.44Å; L18-M22 WeakPolarHBondContact O-CG 3.41Å; L18-M22 PolarHBondContact O-N 2.73Å; L18-V107 HydrophobicContact CD2-CB 3.78Å; L18-V107 HydrophobicContact CD2-CG1 4.45Å; L18-V107 HydrophobicContact CD2-CG2 3.87Å
19V77.9Confident77.1Confident6 Ų673.6 Ų73.64%0.03637%0.367CS..Hα-helixtrans-62.1-42.8177163.20000111.4M11 E15 K16 M22 L23 V99 V107 V110M11-V19 HydrophobicContact CG-CG2 4.18Å; M11-V19 HydrophobicContact SD-CB 3.79Å; M11-V19 HydrophobicContact SD-CG1 3.76Å; M11-V19 HydrophobicContact SD-CG2 3.76Å; E15-V19 WeakPolarHBondContact O-CG2 3.48Å; E15-V19 PolarHBondContact O-N 2.98Å; K16-V19 PolarHBondContact O-N 3.25Å; V19-M22 PolarHBondContact O-N 3.42Å; V19-L23 WeakPolarHBondContact O-CB 3.45Å; V19-L23 PolarHBondContact O-N 3.49Å; V19-V99 HydrophobicContact CG2-CG2 3.94Å; V19-V107 HydrophobicContact CG2-CG1 4.44Å; V19-V110 HydrophobicContact CB-CG2 4.03Å; V19-V110 HydrophobicContact CG1-CB 4.3Å; V19-V110 HydrophobicContact CG1-CG1 3.76Å; V19-V110 HydrophobicContact CG1-CG2 3.6Å; V19-V110 HydrophobicContact CG2-CG2 3.64Å
20L74.9Confident76.3Confident70 Ų7072.9 Ų72.937%0.36637%0.369SS..Hα-helixtrans-62.5-45.9175.9-74.2171.3000111.5K16 P17 L18 L23 K24 L88K16-L20 HydrophobicContact CG-CD1 4.16Å; K16-L20 WeakPolarHBondContact O-CB 3.36Å; K16-L20 VanDerWaalsContact O-CG 3.27Å; K16-L20 WeakPolarHBondContact O-CG 3.39Å; K16-L20 PolarHBondContact O-N 2.83Å; P17-L20 PolarHBondContact O-N 3.18Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L20-L23 PolarHBondContact O-N 3.05Å; L20-K24 VanDerWaalsContact O-CB 3.22Å; L20-K24 WeakPolarHBondContact O-CB 3.41Å; L20-K24 PolarHBondContact O-N 3.31Å; L20-L88 HydrophobicContact CD2-CD1 3.49Å; L20-L88 VanDerWaalsContact CD2-CD1 3.49Å
21E78.9Confident75.6Confident111 Ų11168.1 Ų68.152%0.51935%0.347SS..Hα-helixtrans-64-41.4177.4-78-60.9130.300112P17 L18 L23 K24 A25P17-E21 WeakPolarHBondContact O-CG 3.23Å; P17-E21 PolarHBondContact O-N 3.4Å; L18-E21 PolarHBondContact O-N 3.25Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 2.85Å; E21-K24 PolarHBondContact O-N 3.27Å; E21-K24 IonicContact OE1-NZ 3.73Å; E21-A25 VanDerWaalsContact O-CB 3.31Å; E21-A25 WeakPolarHBondContact O-CB 3.4Å; E21-A25 PolarHBondContact O-N 2.89Å
22M75.9Confident75.1Confident27 Ų2770.6 Ų70.613%0.13336%0.36CS..Hα-helixtrans-61.7-40.2173.6-77.3-175.355.900112.7L18 V19 G26 V107L18-M22 WeakPolarHBondContact O-CB 3.44Å; L18-M22 WeakPolarHBondContact O-CG 3.41Å; L18-M22 PolarHBondContact O-N 2.73Å; V19-M22 PolarHBondContact O-N 3.42Å; M22-G26 PolarHBondContact O-N 2.82Å; M22-V107 HydrophobicContact CE-CG1 4.49Å; M22-V107 HydrophobicContact SD-CG1 3.85Å
23L75.9Confident74.7Confident22 Ų2271.5 Ų71.512%0.11536%0.364CS..Hα-helixtrans-69.2-43.6177.2-177.363000110.9V19 L20 E21 A25 G26 V27 L88 R127V19-L23 WeakPolarHBondContact O-CB 3.45Å; V19-L23 PolarHBondContact O-N 3.49Å; L20-L23 PolarHBondContact O-N 3.05Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 2.85Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 2.75Å; L23-G26 PolarHBondContact O-N 2.98Å; L23-V27 HydrophobicContact CD1-CG2 4.27Å; L23-V27 HydrophobicContact CG-CG2 4.36Å; L23-V27 WeakPolarHBondContact O-CB 3.43Å; L23-V27 VanDerWaalsContact O-CG2 3.28Å; L23-V27 WeakPolarHBondContact O-CG2 3.43Å; L23-V27 PolarHBondContact O-N 3.24Å; L23-L88 HydrophobicContact CD2-CD2 3.9Å; L23-L88 HydrophobicContact CD2-CG 4.48Å; L23-R127 HydrophobicContact CD1-CB 4.44Å; L23-R127 HydrophobicContact CD1-CG 4.41Å; L23-R127 HydrophobicContact CD2-CG 4.25Å
24K74Confident74.3Confident137 Ų13765.1 Ų65.160%0.59633%0.33SS*.Hα-helixtrans-61.9-41.2178.2-156.5-177.6-165178.20111.5L20 E21 V27 K28L20-K24 VanDerWaalsContact O-CB 3.22Å; L20-K24 WeakPolarHBondContact O-CB 3.41Å; L20-K24 PolarHBondContact O-N 3.31Å; E21-K24 PolarHBondContact O-N 3.27Å; E21-K24 IonicContact OE1-NZ 3.73Å; K24-V27 PolarHBondContact O-N 3.46Å; K24-K28 VanDerWaalsContact O-CB 3.29Å; K24-K28 WeakPolarHBondContact O-CB 3.44Å; K24-K28 PolarHBondContact O-N 2.95Å
25A72.4Confident73.8Confident49 Ų4960 Ų6041%0.40530%0.303SS..Hα-helixtrans-64.9-43.517400000111.9E21 L23 K28 D29E21-A25 VanDerWaalsContact O-CB 3.31Å; E21-A25 WeakPolarHBondContact O-CB 3.4Å; E21-A25 PolarHBondContact O-N 2.89Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 2.75Å; A25-K28 PolarHBondContact O-N 2.82Å; A25-D29 PolarHBondContact O-N 3.07Å
26G69.3Low73.5Confident18 Ų1864.6 Ų64.619%0.18633%0.328CS..Hα-helixtrans-63-43.3175.900000112.9M22 L23 D29 T30M22-G26 PolarHBondContact O-N 2.82Å; L23-G26 PolarHBondContact O-N 2.98Å; G26-D29 PolarHBondContact O-N 3.26Å; G26-T30 WeakPolarHBondContact O-CG2 3.49Å; G26-T30 PolarHBondContact O-N 3.34Å; G26-T30 VanDerWaalsContact O-N 3.15Å; G26-T30 PolarHBondContact O-OG1 3.41Å
27V69.8Low73.3Confident30 Ų3061.8 Ų61.818%0.18232%0.316CS..Hα-helixtrans-65.3-45.1176.6167.40000111.1L23 K24 D29 T30 E31 W85L23-V27 HydrophobicContact CD1-CG2 4.27Å; L23-V27 HydrophobicContact CG-CG2 4.36Å; L23-V27 WeakPolarHBondContact O-CB 3.43Å; L23-V27 VanDerWaalsContact O-CG2 3.28Å; L23-V27 WeakPolarHBondContact O-CG2 3.43Å; L23-V27 PolarHBondContact O-N 3.24Å; K24-V27 PolarHBondContact O-N 3.46Å; V27-D29 VanDerWaalsContact C-N 3.28Å; V27-D29 PolarHBondContact O-N 2.92Å; V27-T30 WeakPolarHBondContact CA-OG1 2.87Å; V27-T30 PolarHBondContact O-N 3.4Å; V27-T30 PolarHBondContact O-OG1 3.28Å; V27-E31 HydrophobicContact CG1-CG 3.83Å; V27-E31 WeakPolarHBondContact CG1-OE1 3.47Å; V27-E31 VanDerWaalsContact O-CB 3.26Å; V27-E31 WeakPolarHBondContact O-CB 3.36Å; V27-E31 VanDerWaalsContact O-CG 3.25Å; V27-E31 WeakPolarHBondContact O-CG 3.37Å; V27-E31 PolarHBondContact O-N 3.37Å; V27-W85 HydrophobicContact CG1-CE3 3.79Å; V27-W85 HydrophobicContact CG1-CZ3 4.12Å; V27-W85 HydrophobicContact CG2-CE3 4.34Å
28K71.1Confident73Confident136 Ų13659 Ų5959%0.59130%0.3SS*.Hα-helixtrans-60.1-39.2179.1-173.3176.7-179.7-179.20112.1K24 A25 N32K24-K28 VanDerWaalsContact O-CB 3.29Å; K24-K28 WeakPolarHBondContact O-CB 3.44Å; K24-K28 PolarHBondContact O-N 2.95Å; A25-K28 PolarHBondContact O-N 2.82Å; K28-N32 WeakPolarHBondContact O-CB 3.33Å; K28-N32 PolarHBondContact O-N 3.43Å; K28-N32 VanDerWaalsContact O-N 3.12Å
29D68.6Low72.6Confident44 Ų4456.3 Ų56.324%0.23529%0.286CS..Hα-helixtrans-65.4-44.6175.8-78.2-19.2000112.6A25 G26 V27 R33 R132A25-D29 PolarHBondContact O-N 3.07Å; G26-D29 PolarHBondContact O-N 3.26Å; V27-D29 VanDerWaalsContact C-N 3.28Å; V27-D29 PolarHBondContact O-N 2.92Å; D29-R33 WeakPolarHBondContact O-CG 3.47Å; D29-R33 PolarHBondContact O-N 3.35Å; D29-R132 IonicContact OD1-CZ 3.25Å; D29-R132 IonicContact OD1-NH2 3.25Å; D29-R132 PolarHBondContact OD1-NH2 3.15Å; D29-R132 IonicContact OD2-CZ 3.4Å; D29-R132 VanDerWaalsContact OD2-CZ 3.25Å; D29-R132 IonicContact OD2-NE 3.92Å; D29-R132 PolarHBondContact OD2-NE 3.44Å; D29-R132 VanDerWaalsContact OD2-NE 3.16Å; D29-R132 IonicContact OD2-NH2 2.73Å; D29-R132 PolarHBondContact OD2-NH2 2.99Å
30T67.8Low72.6Confident37 Ų3760 Ų6023%0.22731%0.309CS..Hα-helixtrans-72.8-41.5-179.653.70000111.3G26 V27 N32 R33 V34G26-T30 WeakPolarHBondContact O-CG2 3.49Å; G26-T30 PolarHBondContact O-N 3.34Å; G26-T30 VanDerWaalsContact O-N 3.15Å; G26-T30 PolarHBondContact O-OG1 3.41Å; V27-T30 WeakPolarHBondContact CA-OG1 2.87Å; V27-T30 PolarHBondContact O-N 3.4Å; V27-T30 PolarHBondContact O-OG1 3.28Å; T30-N32 PolarHBondContact O-N 3.47Å; T30-R33 PolarHBondContact O-N 3.06Å; T30-V34 WeakPolarHBondContact O-CB 3.38Å; T30-V34 VanDerWaalsContact O-CG2 3.23Å; T30-V34 WeakPolarHBondContact O-CG2 3.1Å; T30-V34 PolarHBondContact O-N 2.96Å
31E69.8Low72.8Confident14 Ų1460.7 Ų60.77%0.06531%0.307CS..Hα-helixtrans-55.2-51.2174.6-79-177.3173.300111.1V27 R33 V34 A35 L81 W85V27-E31 HydrophobicContact CG1-CG 3.83Å; V27-E31 WeakPolarHBondContact CG1-OE1 3.47Å; V27-E31 VanDerWaalsContact O-CB 3.26Å; V27-E31 WeakPolarHBondContact O-CB 3.36Å; V27-E31 VanDerWaalsContact O-CG 3.25Å; V27-E31 WeakPolarHBondContact O-CG 3.37Å; V27-E31 PolarHBondContact O-N 3.37Å; E31-R33 VanDerWaalsContact C-N 3.3Å; E31-R33 PolarHBondContact O-N 3.11Å; E31-V34 PolarHBondContact O-N 3.46Å; E31-A35 WeakPolarHBondContact O-CB 3.3Å; E31-A35 PolarHBondContact O-N 2.91Å; E31-L81 HydrophobicContact CB-CD1 4.49Å; E31-L81 HydrophobicContact CG-CB 4.38Å; E31-L81 HydrophobicContact CG-CD1 4.09Å; E31-W85 HydrophobicContact CG-CE3 4.28Å; E31-W85 HydrophobicContact CG-CZ3 3.81Å
32N73.6Confident72.9Confident84 Ų8459.3 Ų59.345%0.44931%0.307SS..Hα-helixtrans-61.9-40.1-178.8-81.8-3.1000111.8K28 T30 L36K28-N32 WeakPolarHBondContact O-CB 3.33Å; K28-N32 PolarHBondContact O-N 3.43Å; K28-N32 VanDerWaalsContact O-N 3.12Å; T30-N32 PolarHBondContact O-N 3.47Å; N32-L36 VanDerWaalsContact O-CB 3.25Å; N32-L36 WeakPolarHBondContact O-CB 3.48Å; N32-L36 PolarHBondContact O-N 3.49Å
33R72.9Confident72.9Confident164 Ų16459.5 Ų59.562%0.61931%0.31SS*.Hα-helixtrans-71.1-40.8178.1-70179.3179.2-131.8-3.8112.4D29 T30 E31 H37 A172D29-R33 WeakPolarHBondContact O-CG 3.47Å; D29-R33 PolarHBondContact O-N 3.35Å; T30-R33 PolarHBondContact O-N 3.06Å; E31-R33 VanDerWaalsContact C-N 3.3Å; E31-R33 PolarHBondContact O-N 3.11Å; R33-H37 WeakPolarHBondContact O-CB 3.5Å; R33-H37 PolarHBondContact O-N 2.95Å; R33-A172 HydrophobicContact CB-CB 3.77Å
34V69.2Low73.1Confident7 Ų759.4 Ų59.44%0.04231%0.313CS..Hα-helixtrans-68.8-42.2178172.30000110.7T30 E31 H37 A38 L81 A170 A172 L198T30-V34 WeakPolarHBondContact O-CB 3.38Å; T30-V34 VanDerWaalsContact O-CG2 3.23Å; T30-V34 WeakPolarHBondContact O-CG2 3.1Å; T30-V34 PolarHBondContact O-N 2.96Å; E31-V34 PolarHBondContact O-N 3.46Å; V34-H37 PolarHBondContact O-N 3.05Å; V34-A38 WeakPolarHBondContact O-CB 3.45Å; V34-A38 PolarHBondContact O-N 3.33Å; V34-L81 HydrophobicContact CG1-CD1 4.42Å; V34-A170 HydrophobicContact CG2-CB 3.97Å; V34-A172 HydrophobicContact CG2-CB 3.82Å; V34-L198 HydrophobicContact CG1-CD2 4.19Å
35A71.6Confident73.4Confident6 Ų657.3 Ų57.35%0.0531%0.308CS..Hα-helixtrans-62.6-47.4175.900000111.1E31 H37 A38 L39 V77E31-A35 WeakPolarHBondContact O-CB 3.3Å; E31-A35 PolarHBondContact O-N 2.91Å; A35-H37 VanDerWaalsContact C-N 3.32Å; A35-H37 PolarHBondContact O-N 3.41Å; A35-A38 PolarHBondContact O-N 2.94Å; A35-L39 WeakPolarHBondContact O-CB 3.36Å; A35-L39 WeakPolarHBondContact O-CD1 3.4Å; A35-L39 WeakPolarHBondContact O-CG 3.35Å; A35-L39 PolarHBondContact O-N 3.5Å; A35-V77 HydrophobicContact CB-CG1 3.98Å
36L73.7Confident74Confident115 Ų11561 Ų6160%0.60232%0.32SS*.Hα-helixtrans-58.6-48174.3-172.471.8000110.5N32 A38 L39 T40N32-L36 VanDerWaalsContact O-CB 3.25Å; N32-L36 WeakPolarHBondContact O-CB 3.48Å; N32-L36 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact C-N 3.31Å; L36-A38 PolarHBondContact O-N 3.23Å; L36-L39 PolarHBondContact O-N 3.03Å; L36-T40 HydrophobicContact CD1-CG2 4.19Å; L36-T40 HydrophobicContact CG-CG2 4.22Å; L36-T40 WeakPolarHBondContact O-CB 3.47Å; L36-T40 VanDerWaalsContact O-CG2 3.22Å; L36-T40 WeakPolarHBondContact O-CG2 3.24Å; L36-T40 PolarHBondContact O-N 2.72Å; L36-T40 PolarHBondContact O-OG1 3.21Å
37H73.3Confident74.7Confident51 Ų5164.7 Ų64.724%0.23634%0.335CS..Hα-helixtrans-60.9-38.1-179.8-172.270.8000113R33 V34 A35 T40 R41R33-H37 WeakPolarHBondContact O-CB 3.5Å; R33-H37 PolarHBondContact O-N 2.95Å; V34-H37 PolarHBondContact O-N 3.05Å; A35-H37 VanDerWaalsContact C-N 3.32Å; A35-H37 PolarHBondContact O-N 3.41Å; H37-T40 PolarHBondContact O-OG1 3.16Å; H37-R41 PolarHBondContact CE1-NH2 3.26Å; H37-R41 PolarHBondContact NE2-NE 3.48Å; H37-R41 PolarHBondContact NE2-NH2 2.89Å; H37-R41 WeakPolarHBondContact O-CG 3.47Å
38A71.6Confident75.4Confident22 Ų2264.7 Ų64.718%0.18233%0.333CS..Hα-helixtrans-71.1-42.6176.900000111.6V34 A35 L36 R41 A44 L198V34-A38 WeakPolarHBondContact O-CB 3.45Å; V34-A38 PolarHBondContact O-N 3.33Å; A35-A38 PolarHBondContact O-N 2.94Å; L36-A38 VanDerWaalsContact C-N 3.31Å; L36-A38 PolarHBondContact O-N 3.23Å; A38-R41 PolarHBondContact O-N 2.79Å; A38-A44 VanDerWaalsContact O-CB 3.23Å; A38-A44 WeakPolarHBondContact O-CB 3.48Å; A38-L198 HydrophobicContact CB-CD2 4.3Å
39L72.7Confident76.1Confident33 Ų3360.9 Ų60.917%0.17333%0.327CS..Hα-helixtrans-73-26.1-177.5-70.1165.1000113.3A35 L36 R41 L45 L48 A73 V74A35-L39 WeakPolarHBondContact O-CB 3.36Å; A35-L39 WeakPolarHBondContact O-CD1 3.4Å; A35-L39 WeakPolarHBondContact O-CG 3.35Å; A35-L39 PolarHBondContact O-N 3.5Å; L36-L39 PolarHBondContact O-N 3.03Å; L39-R41 VanDerWaalsContact C-N 3.26Å; L39-R41 PolarHBondContact O-N 2.64Å; L39-L45 VanDerWaalsContact O-CD2 3.3Å; L39-L45 WeakPolarHBondContact O-CD2 3.42Å; L39-L48 HydrophobicContact CD2-CD1 4.01Å; L39-A73 HydrophobicContact CD2-CB 3.87Å; L39-V74 HydrophobicContact CD1-CG2 3.49Å; L39-V74 VanDerWaalsContact CD1-CG2 3.49Å
40T77.7Confident77Confident83 Ų8361.7 Ų61.751%0.50934%0.341SS..THydrogen-bonded Turntrans-83.12.217857.20000113.3L36 H37L36-T40 HydrophobicContact CD1-CG2 4.19Å; L36-T40 HydrophobicContact CG-CG2 4.22Å; L36-T40 WeakPolarHBondContact O-CB 3.47Å; L36-T40 VanDerWaalsContact O-CG2 3.22Å; L36-T40 WeakPolarHBondContact O-CG2 3.24Å; L36-T40 PolarHBondContact O-N 2.72Å; L36-T40 PolarHBondContact O-OG1 3.21Å; H37-T40 PolarHBondContact O-OG1 3.16Å
41R79.6Confident77.8Confident85 Ų8562.4 Ų62.432%0.32135%0.35SS..SBendtrans-81.3142.4-179.5-68.1-62.9-173162.37.8111.5H37 A38 L39 A44 L45 Y196H37-R41 PolarHBondContact CE1-NH2 3.26Å; H37-R41 PolarHBondContact NE2-NE 3.48Å; H37-R41 PolarHBondContact NE2-NH2 2.89Å; H37-R41 WeakPolarHBondContact O-CG 3.47Å; A38-R41 PolarHBondContact O-N 2.79Å; L39-R41 VanDerWaalsContact C-N 3.26Å; L39-R41 PolarHBondContact O-N 2.64Å; R41-A44 HydrophobicContact CB-CB 4.46Å; R41-A44 PolarHBondContact O-N 2.79Å; R41-A44 VanDerWaalsContact O-N 3.1Å; R41-L45 WeakPolarHBondContact O-CG 3.41Å; R41-L45 PolarHBondContact O-N 2.92Å; R41-Y196 HydrophobicContact CB-CE2 4.5Å; R41-Y196 HydrophobicContact CG-CD1 4.36Å; R41-Y196 HydrophobicContact CG-CE1 4.4Å; R41-Y196 HydrophobicContact CG-CG 4.46Å
42P79.7Confident78.6Confident81 Ų8162 Ų6253%0.52635%0.349SS..Hα-helixtrans-50.9-46-179.3-23.731000115.1L45 L46P42-L45 PolarHBondContact O-N 2.87Å; P42-L46 VanDerWaalsContact O-CG 3.3Å; P42-L46 WeakPolarHBondContact O-CG 3.46Å; P42-L46 PolarHBondContact O-N 2.79Å
43P76Confident79.3Confident32 Ų3260.8 Ų60.821%0.20835%0.347CS..Hα-helixtrans-73.1-29.218022.5-27.3000113.8L46 L47 M194 Y196P43-L46 PolarHBondContact O-N 3.06Å; P43-L47 WeakPolarHBondContact O-CG 3.33Å; P43-L47 PolarHBondContact O-N 3.02Å; P43-M194 HydrophobicContact CB-CE 4.01Å; P43-Y196 WeakPolarHBondContact CD-OH 3.49Å; P43-Y196 HydrophobicContact CG-CD2 4.42Å; P43-Y196 HydrophobicContact CG-CE2 3.39Å
44A79.8Confident79.8Confident20 Ų2055 Ų5517%0.16534%0.338CS..Hα-helixtrans-66.7-41.9173.100000110.6A38 R41 L47 L48A38-A44 VanDerWaalsContact O-CB 3.23Å; A38-A44 WeakPolarHBondContact O-CB 3.48Å; R41-A44 HydrophobicContact CB-CB 4.46Å; R41-A44 PolarHBondContact O-N 2.79Å; R41-A44 VanDerWaalsContact O-N 3.1Å; A44-L47 PolarHBondContact O-N 3.29Å; A44-L48 WeakPolarHBondContact O-CB 3.31Å; A44-L48 VanDerWaalsContact O-CG 3.29Å; A44-L48 WeakPolarHBondContact O-CG 3.22Å; A44-L48 PolarHBondContact O-N 3.41Å
45L82.4Confident80.6Confident93 Ų9356.6 Ų56.649%0.48735%0.346SS..Hα-helixtrans-63.9-40174.2-66.6174.7000111.9L39 R41 P42 L48 A49L39-L45 VanDerWaalsContact O-CD2 3.3Å; L39-L45 WeakPolarHBondContact O-CD2 3.42Å; R41-L45 WeakPolarHBondContact O-CG 3.41Å; R41-L45 PolarHBondContact O-N 2.92Å; P42-L45 PolarHBondContact O-N 2.87Å; L45-L48 PolarHBondContact O-N 3.22Å; L45-A49 VanDerWaalsContact O-CB 3.27Å; L45-A49 WeakPolarHBondContact O-CB 3.38Å; L45-A49 PolarHBondContact O-N 3.01Å
46L83.9Confident81.2Confident125 Ų12560.3 Ų60.365%0.65436%0.359SS*.Hα-helixtrans-64.1-44.6175.2-73.2169.7000112.1P42 P43 A49 A50P42-L46 VanDerWaalsContact O-CG 3.3Å; P42-L46 WeakPolarHBondContact O-CG 3.46Å; P42-L46 PolarHBondContact O-N 2.79Å; P43-L46 PolarHBondContact O-N 3.06Å; L46-A49 PolarHBondContact O-N 3.5Å; L46-A50 WeakPolarHBondContact O-CB 3.5Å; L46-A50 PolarHBondContact O-N 2.88Å
47L83.8Confident81.6Confident97 Ų9763.4 Ų63.451%0.50837%0.368SS..Hα-helixtrans-62.7-43.1174.6-77.8-174000111.9P43 A44 A49 A50 A51 M194P43-L47 WeakPolarHBondContact O-CG 3.33Å; P43-L47 PolarHBondContact O-N 3.02Å; A44-L47 PolarHBondContact O-N 3.29Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.37Å; L47-A50 PolarHBondContact O-N 3.38Å; L47-A51 WeakPolarHBondContact O-CB 3.28Å; L47-A51 PolarHBondContact O-N 2.72Å; L47-M194 HydrophobicContact CD1-CE 3.23Å; L47-M194 HydrophobicContact CD1-SD 3.69Å; L47-M194 HydrophobicContact CG-CE 3.9Å
48L84.7Confident82Confident29 Ų2966.8 Ų66.815%0.15239%0.391CS..Hα-helixtrans-62.9-40.8176.2-77167.1000111.5L39 A44 L45 S52 P69 V70 A73L39-L48 HydrophobicContact CD2-CD1 4.01Å; A44-L48 WeakPolarHBondContact O-CB 3.31Å; A44-L48 VanDerWaalsContact O-CG 3.29Å; A44-L48 WeakPolarHBondContact O-CG 3.22Å; A44-L48 PolarHBondContact O-N 3.41Å; L45-L48 PolarHBondContact O-N 3.22Å; L48-S52 WeakPolarHBondContact O-CB 3.46Å; L48-S52 PolarHBondContact O-N 3.06Å; L48-P69 HydrophobicContact CD2-CB 3.86Å; L48-P69 WeakPolarHBondContact CD2-O 3.29Å; L48-V70 HydrophobicContact CD2-CG2 4.14Å; L48-A73 HydrophobicContact CD2-CB 4.11Å
49A85.3Confident82.5Confident56 Ų5667.9 Ų67.946%0.46339%0.394SS..Hα-helixtrans-65.7-45.7176.600000111.7L45 L46 L47 S52 S53L45-A49 VanDerWaalsContact O-CB 3.27Å; L45-A49 WeakPolarHBondContact O-CB 3.38Å; L45-A49 PolarHBondContact O-N 3.01Å; L46-A49 PolarHBondContact O-N 3.5Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.37Å; A49-S52 PolarHBondContact O-N 3.07Å; A49-S53 WeakPolarHBondContact O-CB 3.27Å; A49-S53 PolarHBondContact O-N 3.24Å
50A87.6Confident82.9Confident62 Ų6272 Ų7251%0.51243%0.433SS..Hα-helixtrans-63.8-47.4176.800000111.8L46 L47 S52 S53 G54L46-A50 WeakPolarHBondContact O-CB 3.5Å; L46-A50 PolarHBondContact O-N 2.88Å; L47-A50 PolarHBondContact O-N 3.38Å; A50-S52 PolarHBondContact O-N 3.31Å; A50-S53 WeakPolarHBondContact O-CB 3.19Å; A50-S53 PolarHBondContact O-N 2.9Å; A50-G54 PolarHBondContact O-N 2.9Å
51A85Confident83.2Confident52 Ų5270.6 Ų70.643%0.4343%0.426SS..Hα-helixtrans-60.7-45.6176.100000111L47 S53 G54 L55 P69L47-A51 WeakPolarHBondContact O-CB 3.28Å; L47-A51 PolarHBondContact O-N 2.72Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 3.32Å; A51-G54 PolarHBondContact O-N 3.45Å; A51-L55 WeakPolarHBondContact O-CB 3.28Å; A51-L55 PolarHBondContact O-N 2.83Å; A51-P69 HydrophobicContact CB-CB 4.37Å
52S87.4Confident83.3Confident5 Ų573.1 Ų73.14%0.03544%0.44CS..Hα-helixtrans-62-39175.7-175.20000111.7L48 A49 A50 L55 R56 A65L48-S52 WeakPolarHBondContact O-CB 3.46Å; L48-S52 PolarHBondContact O-N 3.06Å; A49-S52 PolarHBondContact O-N 3.07Å; A50-S52 PolarHBondContact O-N 3.31Å; S52-L55 PolarHBondContact O-N 2.96Å; S52-R56 WeakPolarHBondContact O-CG 3.37Å; S52-R56 PolarHBondContact O-N 3.11Å; S52-R56 VanDerWaalsContact O-N 3.16Å; S52-R56 PolarHBondContact O-NH1 3.1Å; S52-R56 VanDerWaalsContact O-NH1 3.16Å; S52-R56 VanDerWaalsContact OG-CZ 3.26Å; S52-R56 PolarHBondContact OG-NH1 3.18Å; S52-R56 VanDerWaalsContact OG-NH1 3.08Å; S52-R56 PolarHBondContact OG-NH2 2.93Å; S52-R56 VanDerWaalsContact OG-NH2 3.14Å; S52-A65 WeakPolarHBondContact CA-O 3.5Å; S52-A65 WeakPolarHBondContact CB-O 3.4Å; S52-A65 PolarHBondContact OG-O 3.31Å
53S86.8Confident83.5Confident59 Ų5971.9 Ų71.941%0.41344%0.437SS..Hα-helixtrans-62.6-50.2176.1-167.30000111.9A49 A50 A51 L55 R56 F57A49-S53 WeakPolarHBondContact O-CB 3.27Å; A49-S53 PolarHBondContact O-N 3.24Å; A50-S53 WeakPolarHBondContact O-CB 3.19Å; A50-S53 PolarHBondContact O-N 2.9Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 3.32Å; S53-L55 VanDerWaalsContact C-N 3.31Å; S53-L55 PolarHBondContact O-N 2.96Å; S53-R56 WeakPolarHBondContact O-CB 3.4Å; S53-R56 PolarHBondContact O-N 3.07Å; S53-F57 VanDerWaalsContact O-CD2 3.27Å; S53-F57 WeakPolarHBondContact O-CD2 3.48Å
54G84.3Confident83.8Confident41 Ų4174.3 Ų74.342%0.42345%0.447SS..Hα-helixtrans-62.1-39176.400000112.7A50 A51 R56 F57A50-G54 PolarHBondContact O-N 2.9Å; A51-G54 PolarHBondContact O-N 3.45Å; G54-R56 VanDerWaalsContact C-N 3.28Å; G54-R56 PolarHBondContact O-N 3.4Å; G54-F57 PolarHBondContact O-N 2.99Å; G54-F57 VanDerWaalsContact O-N 3.14Å
55L85.4Confident84Confident41 Ų4173.3 Ų73.322%0.21544%0.439CS..Hα-helixtrans-68.7-26.7-177-164.566.8000112.9A51 S52 S53 F57 V58 L59 A65 L68 P69A51-L55 WeakPolarHBondContact O-CB 3.28Å; A51-L55 PolarHBondContact O-N 2.83Å; S52-L55 PolarHBondContact O-N 2.96Å; S53-L55 VanDerWaalsContact C-N 3.31Å; S53-L55 PolarHBondContact O-N 2.96Å; L55-F57 PolarHBondContact O-N 3Å; L55-V58 PolarHBondContact O-N 3.15Å; L55-V58 VanDerWaalsContact O-N 3.14Å; L55-L59 HydrophobicContact CD1-CD1 3.17Å; L55-L59 HydrophobicContact CD2-CD1 3.91Å; L55-L59 HydrophobicContact CG-CD1 3.25Å; L55-L59 PolarHBondContact O-N 2.88Å; L55-A65 HydrophobicContact CB-CB 4.34Å; L55-A65 HydrophobicContact CD2-CB 4.44Å; L55-A65 HydrophobicContact CG-CB 4.3Å; L55-L68 HydrophobicContact CD2-CB 4.17Å; L55-L68 HydrophobicContact CD2-CD2 3.99Å; L55-P69 HydrophobicContact CD2-CG 3.78Å
56R84.3Confident83.9Confident84 Ų8472.8 Ų72.832%0.31744%0.436SS..Hα-helixtrans-63.3-25.4172.9-75.4173.7-173.4982.3113.5S52 S53 G54 V58 F62 A65S52-R56 WeakPolarHBondContact O-CG 3.37Å; S52-R56 PolarHBondContact O-N 3.11Å; S52-R56 VanDerWaalsContact O-N 3.16Å; S52-R56 PolarHBondContact O-NH1 3.1Å; S52-R56 VanDerWaalsContact O-NH1 3.16Å; S52-R56 VanDerWaalsContact OG-CZ 3.26Å; S52-R56 PolarHBondContact OG-NH1 3.18Å; S52-R56 VanDerWaalsContact OG-NH1 3.08Å; S52-R56 PolarHBondContact OG-NH2 2.93Å; S52-R56 VanDerWaalsContact OG-NH2 3.14Å; S53-R56 WeakPolarHBondContact O-CB 3.4Å; S53-R56 PolarHBondContact O-N 3.07Å; G54-R56 VanDerWaalsContact C-N 3.28Å; G54-R56 PolarHBondContact O-N 3.4Å; R56-V58 VanDerWaalsContact C-N 3.32Å; R56-F62 HydrophobicContact CG-CD2 4.47Å; R56-A65 HydrophobicContact CB-CB 4.44Å; R56-A65 HydrophobicContact CG-CB 3.7Å
57F82Confident83.9Confident181 Ų18172.4 Ų72.479%0.79444%0.435SS*.THydrogen-bonded Turntrans-79.2-18.3176.5-68.7-81.3000112.9S53 G54 L55S53-F57 VanDerWaalsContact O-CD2 3.27Å; S53-F57 WeakPolarHBondContact O-CD2 3.48Å; G54-F57 PolarHBondContact O-N 2.99Å; G54-F57 VanDerWaalsContact O-N 3.14Å; L55-F57 PolarHBondContact O-N 3Å
58V82.5Confident84Confident121 Ų12170.6 Ų70.673%0.73343%0.425SS*.THydrogen-bonded Turntrans-103.3-37.3-176.2-177.10000111.6L55 R56L55-V58 PolarHBondContact O-N 3.15Å; L55-V58 VanDerWaalsContact O-N 3.14Å; R56-V58 VanDerWaalsContact C-N 3.32Å
59L81.8Confident83.9Confident46 Ų4670 Ų7024%0.24142%0.423CS..  trans-96.1133.1-179.2-80.6110.5000112.5L55 S61 L64L55-L59 HydrophobicContact CD1-CD1 3.17Å; L55-L59 HydrophobicContact CD2-CD1 3.91Å; L55-L59 HydrophobicContact CG-CD1 3.25Å; L55-L59 PolarHBondContact O-N 2.88Å; L59-S61 PolarHBondContact O-N 3.01Å; L59-S61 VanDerWaalsContact O-N 3.08Å; L59-L64 HydrophobicContact CD2-CB 4.18Å; L59-L64 HydrophobicContact CD2-CD2 3.26Å; L59-L64 HydrophobicContact CD2-CG 3.66Å
60A81.8Confident83.8Confident119 Ų11970.5 Ų70.598%0.98342%0.42SS*.SBendtrans-67.7-3.7173.200000114.1
61S82.6Confident83.7Confident53 Ų5374.3 Ų74.337%0.37143%0.425SS..  trans-121.9116.7-176.8177.30000111.9L59 A63 L64 A65L59-S61 PolarHBondContact O-N 3.01Å; L59-S61 VanDerWaalsContact O-N 3.08Å; S61-A63 PolarHBondContact O-N 3.41Å; S61-L64 PolarHBondContact O-N 3.43Å; S61-L64 PolarHBondContact OG-N 3.43Å; S61-A65 WeakPolarHBondContact O-CB 3.27Å; S61-A65 PolarHBondContact O-N 2.99Å
62F82.2Confident83.7Confident138 Ų13876.6 Ų76.661%0.60543%0.43SS*.Hα-helixtrans-61.4-42.8176.7-178.6-92.8000112.4R56 L64 A65 L66R56-F62 HydrophobicContact CG-CD2 4.47Å; F62-L64 VanDerWaalsContact C-N 3.33Å; F62-L64 PolarHBondContact O-N 3.43Å; F62-A65 PolarHBondContact O-N 3.1Å; F62-L66 PolarHBondContact O-N 3.42Å; F62-L66 VanDerWaalsContact O-N 3.15Å
63A83.4Confident83.4Confident56 Ų5677.7 Ų77.746%0.46344%0.439SS..Hα-helixtrans-63.2-42.2179.500000111.2S61 L66 L67S61-A63 PolarHBondContact O-N 3.41Å; A63-L66 PolarHBondContact O-N 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.38Å; A63-L67 WeakPolarHBondContact O-CG 3.48Å; A63-L67 PolarHBondContact O-N 3.25Å
64L82.2Confident83Confident82 Ų8276.8 Ų76.843%0.42943%0.431SS..Hα-helixtrans-68.1-39.9178.9-168.158.3000111.4L59 S61 F62 L66 L67 L68L59-L64 HydrophobicContact CD2-CB 4.18Å; L59-L64 HydrophobicContact CD2-CD2 3.26Å; L59-L64 HydrophobicContact CD2-CG 3.66Å; S61-L64 PolarHBondContact O-N 3.43Å; S61-L64 PolarHBondContact OG-N 3.43Å; F62-L64 VanDerWaalsContact C-N 3.33Å; F62-L64 PolarHBondContact O-N 3.43Å; L64-L66 PolarHBondContact O-N 2.85Å; L64-L67 PolarHBondContact O-N 2.9Å; L64-L68 HydrophobicContact CD1-CB 4.46Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 2.81Å
65A83.9Confident82.8Confident0 Ų076.7 Ų76.70%043%0.426CS..Hα-helixtrans-64.6-21.5175.800000113.9S52 L55 R56 S61 F62 P69S52-A65 WeakPolarHBondContact CA-O 3.5Å; S52-A65 WeakPolarHBondContact CB-O 3.4Å; S52-A65 PolarHBondContact OG-O 3.31Å; L55-A65 HydrophobicContact CB-CB 4.34Å; L55-A65 HydrophobicContact CD2-CB 4.44Å; L55-A65 HydrophobicContact CG-CB 4.3Å; R56-A65 HydrophobicContact CB-CB 4.44Å; R56-A65 HydrophobicContact CG-CB 3.7Å; S61-A65 WeakPolarHBondContact O-CB 3.27Å; S61-A65 PolarHBondContact O-N 2.99Å; F62-A65 PolarHBondContact O-N 3.1Å; A65-P69 WeakPolarHBondContact O-CD 3.27Å; A65-P69 WeakPolarHBondContact O-CG 3.28Å
66L81.3Confident82.5Confident81 Ų8177.8 Ų77.842%0.42444%0.441SS..Hα-helixtrans-88.7-44.4175-168.974.4000112.3F62 A63 L64F62-L66 PolarHBondContact O-N 3.42Å; F62-L66 VanDerWaalsContact O-N 3.15Å; A63-L66 PolarHBondContact O-N 3.32Å; L64-L66 PolarHBondContact O-N 2.85Å
67L83.7Confident82Confident118 Ų11875.7 Ų75.762%0.61844%0.437SS*.Hα-helixtrans-80.3-35-173.1-66.7174.3000113A63 L64 V70 F71A63-L67 WeakPolarHBondContact O-CB 3.38Å; A63-L67 WeakPolarHBondContact O-CG 3.48Å; A63-L67 PolarHBondContact O-N 3.25Å; L64-L67 PolarHBondContact O-N 2.9Å; L67-V70 PolarHBondContact O-N 2.96Å; L67-F71 WeakPolarHBondContact O-CB 3.44Å; L67-F71 PolarHBondContact O-N 3.39Å
68L85.4Confident81.5Confident58 Ų5870.6 Ų70.630%0.30442%0.415SS..Hα-helixtrans-62.1-46.6-174.5-171.271.6000113.3L55 L64 V70 F71 L72L55-L68 HydrophobicContact CD2-CB 4.17Å; L55-L68 HydrophobicContact CD2-CD2 3.99Å; L64-L68 HydrophobicContact CD1-CB 4.46Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 2.81Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.31Å; L68-F71 PolarHBondContact O-N 3.48Å; L68-L72 HydrophobicContact CD1-CD1 4.49Å; L68-L72 HydrophobicContact CD1-CG 4.49Å; L68-L72 HydrophobicContact CG-CD1 4.04Å; L68-L72 HydrophobicContact CG-CG 4.42Å; L68-L72 WeakPolarHBondContact O-CB 3.29Å; L68-L72 WeakPolarHBondContact O-CG 3.33Å; L68-L72 PolarHBondContact O-N 3.17Å
69P83.1Confident80.9Confident17 Ų1770.9 Ų70.911%0.1141%0.412CS..Hα-helixtrans-62.4-39.5178.9-21.833.8000112.6L48 A51 L55 A65 A73L48-P69 HydrophobicContact CD2-CB 3.86Å; L48-P69 WeakPolarHBondContact CD2-O 3.29Å; A51-P69 HydrophobicContact CB-CB 4.37Å; L55-P69 HydrophobicContact CD2-CG 3.78Å; A65-P69 WeakPolarHBondContact O-CD 3.27Å; A65-P69 WeakPolarHBondContact O-CG 3.28Å; P69-A73 WeakPolarHBondContact O-CB 3.39Å; P69-A73 PolarHBondContact O-N 3.5Å
70V83.9Confident80.2Confident66 Ų6670.7 Ų70.740%0.442%0.421SS..Hα-helixtrans-65.9-45.4178-179.60000110.3L48 L67 L68 A73 V74L48-V70 HydrophobicContact CD2-CG2 4.14Å; L67-V70 PolarHBondContact O-N 2.96Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.31Å; V70-A73 PolarHBondContact O-N 2.82Å; V70-V74 WeakPolarHBondContact O-CG2 3.49Å; V70-V74 PolarHBondContact O-N 3.2Å
71F84.4Confident79.4Confident143 Ų14366.1 Ų66.163%0.62738%0.379SS*.Hα-helixtrans-62.1-45.4177.9-174.5-97000111.9L67 L68 A73 V74 A75L67-F71 WeakPolarHBondContact O-CB 3.44Å; L67-F71 PolarHBondContact O-N 3.39Å; L68-F71 PolarHBondContact O-N 3.48Å; F71-A73 PolarHBondContact O-N 3.05Å; F71-V74 PolarHBondContact O-N 3.47Å; F71-A75 WeakPolarHBondContact O-CB 3.29Å; F71-A75 PolarHBondContact O-N 3.2Å
72L85.1Confident78.6Confident100 Ų10071.3 Ų71.352%0.52439%0.391SS..Hα-helixtrans-62.9-40.7176.4-72.3174.4000112L68 A75 A76L68-L72 HydrophobicContact CD1-CD1 4.49Å; L68-L72 HydrophobicContact CD1-CG 4.49Å; L68-L72 HydrophobicContact CG-CD1 4.04Å; L68-L72 HydrophobicContact CG-CG 4.42Å; L68-L72 WeakPolarHBondContact O-CB 3.29Å; L68-L72 WeakPolarHBondContact O-CG 3.33Å; L68-L72 PolarHBondContact O-N 3.17Å; L72-A75 PolarHBondContact O-N 3.31Å; L72-A76 VanDerWaalsContact O-CB 3.26Å; L72-A76 WeakPolarHBondContact O-CB 3.33Å; L72-A76 PolarHBondContact O-N 3.46Å
73A81Confident77.6Confident27 Ų2768.6 Ų68.622%0.22339%0.394CS..Hα-helixtrans-63.6-44.6176.300000111.9L39 L48 P69 V70 F71 A75 A76 V77L39-A73 HydrophobicContact CD2-CB 3.87Å; L48-A73 HydrophobicContact CD2-CB 4.11Å; P69-A73 WeakPolarHBondContact O-CB 3.39Å; P69-A73 PolarHBondContact O-N 3.5Å; V70-A73 PolarHBondContact O-N 2.82Å; F71-A73 PolarHBondContact O-N 3.05Å; A73-A75 VanDerWaalsContact C-N 3.35Å; A73-A75 PolarHBondContact O-N 3.19Å; A73-A76 PolarHBondContact O-N 2.74Å; A73-V77 WeakPolarHBondContact O-CB 3.46Å; A73-V77 VanDerWaalsContact O-CG2 3.28Å; A73-V77 WeakPolarHBondContact O-CG2 3.25Å; A73-V77 PolarHBondContact O-N 3.15Å
74V79.6Confident76.4Confident40 Ų4075.1 Ų75.124%0.24241%0.407CS..Hα-helixtrans-60.9-45174.2173.30000110.8L39 V70 F71 V77 K78L39-V74 HydrophobicContact CD1-CG2 3.49Å; L39-V74 VanDerWaalsContact CD1-CG2 3.49Å; V70-V74 WeakPolarHBondContact O-CG2 3.49Å; V70-V74 PolarHBondContact O-N 3.2Å; F71-V74 PolarHBondContact O-N 3.47Å; V74-V77 PolarHBondContact O-N 2.89Å; V74-K78 HydrophobicContact CG1-CD 4.18Å; V74-K78 WeakPolarHBondContact O-CB 3.26Å; V74-K78 WeakPolarHBondContact O-CG 3.23Å; V74-K78 PolarHBondContact O-N 3.22Å
75A80.3Confident75.1Confident40 Ų4074.3 Ų74.333%0.33140%0.398SS..Hα-helixtrans-63.8-44.3179.300000111.6F71 L72 A73 K78 L79F71-A75 WeakPolarHBondContact O-CB 3.29Å; F71-A75 PolarHBondContact O-N 3.2Å; L72-A75 PolarHBondContact O-N 3.31Å; A73-A75 VanDerWaalsContact C-N 3.35Å; A73-A75 PolarHBondContact O-N 3.19Å; A75-K78 PolarHBondContact O-N 3.15Å; A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.18Å; A75-L79 PolarHBondContact O-N 2.81Å
76A78.9Confident73.4Confident63 Ų6377.2 Ų77.252%0.52143%0.428SS..Hα-helixtrans-63.1-44.1177.700000111.7L72 A73 L79 G80L72-A76 VanDerWaalsContact O-CB 3.26Å; L72-A76 WeakPolarHBondContact O-CB 3.33Å; L72-A76 PolarHBondContact O-N 3.46Å; A73-A76 PolarHBondContact O-N 2.74Å; A76-L79 PolarHBondContact O-N 2.81Å; A76-G80 PolarHBondContact O-N 3.12Å
77V73.3Confident72Confident40 Ų4077.4 Ų77.424%0.24244%0.436CS..Hα-helixtrans-61.4-47.5174.8170.50000110.4A35 A73 V74 L79 G80 L81A35-V77 HydrophobicContact CB-CG1 3.98Å; A73-V77 WeakPolarHBondContact O-CB 3.46Å; A73-V77 VanDerWaalsContact O-CG2 3.28Å; A73-V77 WeakPolarHBondContact O-CG2 3.25Å; A73-V77 PolarHBondContact O-N 3.15Å; V74-V77 PolarHBondContact O-N 2.89Å; V77-L79 PolarHBondContact O-N 3.4Å; V77-G80 PolarHBondContact O-N 2.85Å; V77-L81 HydrophobicContact CG1-CD1 3.58Å; V77-L81 HydrophobicContact CG1-CG 4.46Å; V77-L81 WeakPolarHBondContact O-CB 3.37Å; V77-L81 VanDerWaalsContact O-CD1 3.31Å; V77-L81 WeakPolarHBondContact O-CD1 3.13Å; V77-L81 WeakPolarHBondContact O-CG 3Å; V77-L81 PolarHBondContact O-N 2.93Å
78K70.9Confident70.5Confident74 Ų7475.4 Ų75.432%0.32243%0.426SS..Hα-helixtrans-61.9-42.2176.7-79-177.4172.9178.50112.7V74 A75 L81 R82V74-K78 HydrophobicContact CG1-CD 4.18Å; V74-K78 WeakPolarHBondContact O-CB 3.26Å; V74-K78 WeakPolarHBondContact O-CG 3.23Å; V74-K78 PolarHBondContact O-N 3.22Å; A75-K78 PolarHBondContact O-N 3.15Å; K78-L81 PolarHBondContact O-N 3.14Å; K78-R82 WeakPolarHBondContact O-CB 3.24Å; K78-R82 VanDerWaalsContact O-CG 3.28Å; K78-R82 WeakPolarHBondContact O-CG 3.34Å; K78-R82 PolarHBondContact O-N 3.45Å
79L70.6Confident69.1Low128 Ų12873.9 Ų73.967%0.6742%0.419SS*.Hα-helixtrans-70.4-40.3-178.7-158.773.3000111.2A75 A76 V77 R82 A83A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.18Å; A75-L79 PolarHBondContact O-N 2.81Å; A76-L79 PolarHBondContact O-N 2.81Å; V77-L79 PolarHBondContact O-N 3.4Å; L79-R82 PolarHBondContact O-N 3.43Å; L79-A83 VanDerWaalsContact O-CB 3.29Å; L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 3.03Å
80G67.5Low67.6Low41 Ų4178.1 Ų78.142%0.42345%0.446SS..Hα-helixtrans-63.5-41.6174.100000112.5A76 V77 R84A76-G80 PolarHBondContact O-N 3.12Å; V77-G80 PolarHBondContact O-N 2.85Å; G80-R84 WeakPolarHBondContact O-CB 3.25Å; G80-R84 WeakPolarHBondContact O-CG 3.36Å; G80-R84 PolarHBondContact O-N 3.26Å
81L64.8Low66Low23 Ų2380.3 Ų80.312%0.1246%0.462CS..Hα-helixtrans-64.1-47.6173.5-71.3161.4000110.9E31 V34 V77 K78 R84 W85E31-L81 HydrophobicContact CB-CD1 4.49Å; E31-L81 HydrophobicContact CG-CB 4.38Å; E31-L81 HydrophobicContact CG-CD1 4.09Å; V34-L81 HydrophobicContact CG1-CD1 4.42Å; V77-L81 HydrophobicContact CG1-CD1 3.58Å; V77-L81 HydrophobicContact CG1-CG 4.46Å; V77-L81 WeakPolarHBondContact O-CB 3.37Å; V77-L81 VanDerWaalsContact O-CD1 3.31Å; V77-L81 WeakPolarHBondContact O-CD1 3.13Å; V77-L81 WeakPolarHBondContact O-CG 3Å; V77-L81 PolarHBondContact O-N 2.93Å; K78-L81 PolarHBondContact O-N 3.14Å; L81-R84 PolarHBondContact O-N 3.38Å; L81-W85 HydrophobicContact CB-CD2 4.42Å; L81-W85 HydrophobicContact CB-CE3 4.22Å; L81-W85 HydrophobicContact CB-CZ3 4.46Å; L81-W85 HydrophobicContact CD2-CD2 4.19Å; L81-W85 HydrophobicContact CD2-CE3 4.22Å; L81-W85 HydrophobicContact CD2-CH2 3.51Å; L81-W85 HydrophobicContact CD2-CZ2 3.4Å; L81-W85 HydrophobicContact CD2-CZ3 3.92Å; L81-W85 WeakPolarHBondContact O-CB 3.37Å; L81-W85 PolarHBondContact O-N 2.93Å
82R65.3Low64.4Low162 Ų16276 Ų7661%0.61146%0.459SS*.Hα-helixtrans-63.9-41.4177.7-77.2-176.6-178.6-159.32.6113.8K78 L79 R84 W85 G86K78-R82 WeakPolarHBondContact O-CB 3.24Å; K78-R82 VanDerWaalsContact O-CG 3.28Å; K78-R82 WeakPolarHBondContact O-CG 3.34Å; K78-R82 PolarHBondContact O-N 3.45Å; L79-R82 PolarHBondContact O-N 3.43Å; R82-R84 PolarHBondContact O-N 3.37Å; R82-W85 PolarHBondContact O-N 3.09Å; R82-G86 WeakPolarHBondContact O-CA 3.44Å; R82-G86 PolarHBondContact O-N 2.92Å
83A60.7Low63.2Low81 Ų8174.7 Ų74.767%0.66947%0.469SS*.Hα-helixtrans-63.3-33178.500000111.7L79L79-A83 VanDerWaalsContact O-CB 3.29Å; L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 3.03Å
84R58.6Low62.3Low193 Ų19374.2 Ų74.273%0.72846%0.463SS*.Hα-helixtrans-90.5-26.7-179.8-70.3-98.8-178.5161.2-1.5113.3G80 L81 R82G80-R84 WeakPolarHBondContact O-CB 3.25Å; G80-R84 WeakPolarHBondContact O-CG 3.36Å; G80-R84 PolarHBondContact O-N 3.26Å; L81-R84 PolarHBondContact O-N 3.38Å; R82-R84 PolarHBondContact O-N 3.37Å
85W55.3Low61.6Low66 Ų6672.6 Ų72.625%0.2545%0.454CS..Hα-helixtrans-104.16.5179.7-58.3-9.5000112.9V27 E31 L81 R82 R127V27-W85 HydrophobicContact CG1-CE3 3.79Å; V27-W85 HydrophobicContact CG1-CZ3 4.12Å; V27-W85 HydrophobicContact CG2-CE3 4.34Å; E31-W85 HydrophobicContact CG-CE3 4.28Å; E31-W85 HydrophobicContact CG-CZ3 3.81Å; L81-W85 HydrophobicContact CB-CD2 4.42Å; L81-W85 HydrophobicContact CB-CE3 4.22Å; L81-W85 HydrophobicContact CB-CZ3 4.46Å; L81-W85 HydrophobicContact CD2-CD2 4.19Å; L81-W85 HydrophobicContact CD2-CE3 4.22Å; L81-W85 HydrophobicContact CD2-CH2 3.51Å; L81-W85 HydrophobicContact CD2-CZ2 3.4Å; L81-W85 HydrophobicContact CD2-CZ3 3.92Å; L81-W85 WeakPolarHBondContact O-CB 3.37Å; L81-W85 PolarHBondContact O-N 2.93Å; R82-W85 PolarHBondContact O-N 3.09Å; W85-R127 PolarHBondContact O-NH2 3.36Å
86G47.1Very low60.7Low61 Ų6170.8 Ų70.863%0.62944%0.439SS*.  trans-84.6-22.3-172.200000115.2R82R82-G86 WeakPolarHBondContact O-CA 3.44Å; R82-G86 PolarHBondContact O-N 2.92Å
87S52.6Low60.4Low85 Ų8568.8 Ų68.859%0.59442%0.421SS*.  trans-94.1112.2176.650.90000110.6R127S87-R127 PolarHBondContact O-NH2 2.95Å
88L52.9Low60.9Low76 Ų7668 Ų6840%0.39841%0.414SS..PPolyproline II helixtrans-66.7132.1152.7-78.5159.1000106.6L20 L23 R127L20-L88 HydrophobicContact CD2-CD1 3.49Å; L20-L88 VanDerWaalsContact CD2-CD1 3.49Å; L23-L88 HydrophobicContact CD2-CD2 3.9Å; L23-L88 HydrophobicContact CD2-CG 4.48Å; L88-R127 HydrophobicContact CD2-CG 4.26Å
89P55.8Low61.7Low25 Ų2564.5 Ų64.516%0.16240%0.398CS..PPolyproline II helixtrans-57.5143.4172.424.1-31.2000109.2A112P89-A112 HydrophobicContact CG-CB 3.98Å
90P51.1Low62.4Low106 Ų10658.4 Ų58.469%0.68837%0.366SS*.PPolyproline II helixtrans-58.5141.8178.323.8-32.4000110.2G92P90-G92 PolarHBondContact O-N 3.4Å
91P50.5Low63.3Low112 Ų11256.7 Ų56.773%0.72735%0.348SS*.SBendtrans-62.3127.6173.924.9-31000110
92G50.2Low64.2Low54 Ų5457.2 Ų57.256%0.55735%0.348SS*.SBendtrans133.8136.5178.700000113.7P90P90-G92 PolarHBondContact O-N 3.4Å
93G60.3Low64.7Low72 Ų7252.2 Ų52.274%0.74235%0.347SS*.G310 helixtrans86.3-139.9178.900000114.5G95G93-G95 PolarHBondContact O-N 3.03Å; G93-G95 VanDerWaalsContact O-N 3.14Å
94L62.9Low64.9Low17 Ų1753.9 Ų53.99%0.08935%0.354CS..G310 helixtrans-56.9-23.6174.6-127.4175.7000112.9L113 P115 A123 W154L94-L113 HydrophobicContact CD2-CB 4.37Å; L94-L113 HydrophobicContact CD2-CD1 4.11Å; L94-P115 HydrophobicContact CD1-CB 4.43Å; L94-A123 HydrophobicContact CD1-CB 4.25Å; L94-A123 HydrophobicContact CD2-CB 4.34Å; L94-W154 HydrophobicContact CD1-CB 3.83Å; L94-W154 VanDerWaalsContact CD1-CD1 3.44Å; L94-W154 HydrophobicContact CD1-CD2 3.18Å; L94-W154 HydrophobicContact CD1-CE3 3.78Å; L94-W154 HydrophobicContact CD1-CG 3.19Å; L94-W154 HydrophobicContact CD1-CH2 4.5Å; L94-W154 HydrophobicContact CD1-CZ2 4Å; L94-W154 HydrophobicContact CD1-CZ3 4.41Å; L94-W154 HydrophobicContact CD2-CB 4Å; L94-W154 HydrophobicContact CD2-CG 4.24Å; L94-W154 HydrophobicContact CG-CB 3.71Å; L94-W154 HydrophobicContact CG-CD2 4.03Å; L94-W154 HydrophobicContact CG-CG 3.46Å; L94-W154 VanDerWaalsContact CG-CG 3.46Å
95G63.2Low65.5Low5 Ų546.3 Ų46.35%0.05234%0.336CS..G310 helixtrans-131.240.3-150.800000116.9G93 L113G93-G95 PolarHBondContact O-N 3.03Å; G93-G95 VanDerWaalsContact O-N 3.14Å; G95-L113 WeakPolarHBondContact CA-O 3.18Å
96G61.3Low66.8Low3 Ų347.5 Ų47.53%0.03135%0.347CS..SBendtrans-70.8152160.400000111.1W98G96-W98 PolarHBondContact O-N 3.36Å; G96-W98 VanDerWaalsContact O-N 3.15Å; G96-W98 PolarHBondContact O-NE1 3.47Å
97P74.1Confident68.6Low21 Ų2145.2 Ų45.214%0.13632%0.321CS..PPolyproline II helixtrans-65.2116.6171.526-30.5000109.4M11M11-P97 HydrophobicContact CB-CB 4.31Å; M11-P97 HydrophobicContact CB-CG 3.98Å; M11-P97 WeakPolarHBondContact CB-O 3.37Å; M11-P97 HydrophobicContact CE-CB 4.48Å; M11-P97 HydrophobicContact CE-CG 3.57Å; M11-P97 PolarHBondContact N-O 3.05Å; M11-P97 HydrophobicContact SD-CB 4.1Å; M11-P97 HydrophobicContact SD-CG 3.81Å
98W83.4Confident70.1Confident23 Ų2341.2 Ų41.29%0.08729%0.293CS..EExtended strand (participates in β ladder)trans-92.3137.7173.9-57.293.5000109.4V8 R9 E10 G96 V110 L111 F146V8-W98 HydrophobicContact CG1-CB 3.99Å; R9-W98 WeakPolarHBondContact O-CA 3.38Å; E10-W98 HydrophobicContact CB-CE3 4.37Å; E10-W98 HydrophobicContact CB-CZ3 4.14Å; G96-W98 PolarHBondContact O-N 3.36Å; G96-W98 VanDerWaalsContact O-N 3.15Å; G96-W98 PolarHBondContact O-NE1 3.47Å; W98-V110 CarbonylContact O-C 3.42Å; W98-V110 WeakPolarHBondContact O-CA 3.12Å; W98-L111 HydrophobicContact CB-CB 4.31Å; W98-L111 PolarHBondContact N-O 2.83Å; W98-L111 PolarHBondContact O-N 2.81Å; W98-F146 HydrophobicContact CB-CE1 4.12Å; W98-F146 AromaticContact CD1-CE1 4Å; W98-F146 AromaticContact CD2-CE1 3.35Å; W98-F146 HydrophobicContact CD2-CE1 3.35Å; W98-F146 AromaticContact CD2-CZ 3.65Å; W98-F146 HydrophobicContact CD2-CZ 3.65Å; W98-F146 AromaticContact CE2-CE1 3.76Å; W98-F146 AromaticContact CE3-CE1 3.64Å; W98-F146 HydrophobicContact CE3-CE1 3.64Å; W98-F146 AromaticContact CE3-CZ 3.42Å; W98-F146 HydrophobicContact CE3-CZ 3.42Å; W98-F146 VanDerWaalsContact CE3-CZ 3.42Å; W98-F146 HydrophobicContact CG-CD1 4.36Å; W98-F146 AromaticContact CG-CE1 3.55Å; W98-F146 HydrophobicContact CG-CE1 3.55Å; W98-F146 HydrophobicContact CG-CZ 4.3Å; W98-F146 HydrophobicContact CH2-CZ 4.15Å; W98-F146 HydrophobicContact CZ2-CE1 4.4Å; W98-F146 HydrophobicContact CZ2-CZ 4.31Å; W98-F146 HydrophobicContact CZ3-CE1 4.29Å; W98-F146 AromaticContact CZ3-CZ 3.7Å; W98-F146 HydrophobicContact CZ3-CZ 3.7Å
99V86.7Confident71.7Confident0 Ų037.6 Ų37.60%027%0.274CS..EExtended strand (participates in β ladder)trans-118128.7-177.8-173.70000109.3V8 R9 M11 V19 V101 V107 G109V8-V99 WeakPolarHBondContact CA-O 3.43Å; R9-V99 PolarHBondContact N-O 2.79Å; R9-V99 PolarHBondContact O-N 3.44Å; M11-V99 HydrophobicContact CB-CG2 3.63Å; M11-V99 HydrophobicContact CG-CG2 3.82Å; V19-V99 HydrophobicContact CG2-CG2 3.94Å; V99-V101 HydrophobicContact CB-CG2 4.48Å; V99-V101 HydrophobicContact CG1-CG2 3.99Å; V99-V107 HydrophobicContact CG1-CB 3.99Å; V99-V107 HydrophobicContact CG1-CG1 3.3Å; V99-V107 HydrophobicContact CG1-CG2 3.77Å; V99-G109 CarbonylContact C-O 3.57Å; V99-G109 WeakPolarHBondContact CA-O 3.39Å; V99-G109 WeakPolarHBondContact CG1-O 3.28Å
100A86.1Confident73.2Confident0 Ų036.6 Ų36.60%027%0.267CS..EExtended strand (participates in β ladder)trans-80.8116.9166.800000108.7L6 C108 G109 V139 L143L6-A100 HydrophobicContact CD2-CB 4.06Å; A100-C108 HydrophobicContact CB-CB 4.43Å; A100-C108 WeakPolarHBondContact O-CA 3.39Å; A100-C108 WeakPolarHBondContact O-CB 3.31Å; A100-C108 PolarHBondContact O-N 2.81Å; A100-G109 PolarHBondContact N-O 3.12Å; A100-G109 PolarHBondContact O-N 3.45Å; A100-V139 HydrophobicContact CB-CG1 3.76Å; A100-L143 HydrophobicContact CB-CD1 4.13Å; A100-L143 HydrophobicContact CB-CD2 3.66Å; A100-L143 HydrophobicContact CB-CG 3.91Å
101V86.7Confident74.8Confident6 Ų631.5 Ų31.54%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-111.7139178.3-177.70000109.1S7 R9 V99 G105 D106S7-V101 PolarHBondContact N-O 3.35Å; S7-V101 PolarHBondContact O-N 2.88Å; S7-V101 PolarHBondContact OG-O 2.99Å; R9-V101 HydrophobicContact CG-CG2 4.19Å; V99-V101 HydrophobicContact CB-CG2 4.48Å; V99-V101 HydrophobicContact CG1-CG2 3.99Å; V101-G105 VanDerWaalsContact CG1-C 3.5Å; V101-G105 VanDerWaalsContact CG1-CA 3.5Å; V101-D106 WeakPolarHBondContact CA-O 3.38Å
102R83.1Confident76.4Confident34 Ų3426.2 Ų26.213%0.12820%0.2CC..EExtended strand (participates in β ladder)trans-110.8132.6173.6177.2-174.6-72.8-130.8-9.8109.4S104 G105 D106 C108R102-S104 PolarHBondContact O-N 3.47Å; R102-S104 VanDerWaalsContact O-N 3.1Å; R102-G105 PolarHBondContact O-N 3.37Å; R102-D106 PolarHBondContact N-O 2.76Å; R102-D106 PolarHBondContact O-N 3.32Å; R102-C108 WeakPolarHBondContact CB-SG 3.07Å
103G76.5Confident77.9Confident56 Ų5623.7 Ų23.758%0.57717%0.174SC*.THydrogen-bonded Turntrans48.9-114.8168.400000114.1H5 G105H5-G103 PolarHBondContact O-N 3.26Å; G103-G105 PolarHBondContact O-N 2.79Å
104S64.2Low78.8Confident117 Ų11721.1 Ų21.182%0.81815%0.146SC*.THydrogen-bonded Turntrans-675.3-171.950.10000116.7R102R102-S104 PolarHBondContact O-N 3.47Å; R102-S104 VanDerWaalsContact O-N 3.1Å
105G71.7Confident79.4Confident34 Ų3424 Ų2435%0.35117%0.165SC..THydrogen-bonded Turntrans113.64.1-17900000114.6V101 R102 G103 V107V101-G105 VanDerWaalsContact CG1-C 3.5Å; V101-G105 VanDerWaalsContact CG1-CA 3.5Å; R102-G105 PolarHBondContact O-N 3.37Å; G103-G105 PolarHBondContact O-N 2.79Å; G105-V107 PolarHBondContact O-N 2.99Å
106D82.7Confident79.7Confident90 Ų9024.4 Ų24.448%0.48117%0.17SC..EExtended strand (participates in β ladder)trans-69.8119.1-178.2-72.9-16.9000111.9V101 R102 C108V101-D106 WeakPolarHBondContact CA-O 3.38Å; R102-D106 PolarHBondContact N-O 2.76Å; R102-D106 PolarHBondContact O-N 3.32Å; D106-C108 PolarHBondContact O-N 2.82Å; D106-C108 PolarHBondContact O-SG 3.19Å; D106-C108 VanDerWaalsContact O-SG 3.4Å
107V83.9Confident80Confident14 Ų1428.7 Ų28.79%0.08521%0.205CC..EExtended strand (participates in β ladder)trans-71109174.9174.70000110.2E15 L18 V19 M22 V99 G105E15-V107 HydrophobicContact CG-CG2 4.46Å; L18-V107 HydrophobicContact CD2-CB 3.78Å; L18-V107 HydrophobicContact CD2-CG1 4.45Å; L18-V107 HydrophobicContact CD2-CG2 3.87Å; V19-V107 HydrophobicContact CG2-CG1 4.44Å; M22-V107 HydrophobicContact CE-CG1 4.49Å; M22-V107 HydrophobicContact SD-CG1 3.85Å; V99-V107 HydrophobicContact CG1-CB 3.99Å; V99-V107 HydrophobicContact CG1-CG1 3.3Å; V99-V107 HydrophobicContact CG1-CG2 3.77Å; G105-V107 PolarHBondContact O-N 2.99Å
108C85.3Confident79.6Confident0 Ų033.5 Ų33.50%023%0.23CC..EExtended strand (participates in β ladder)trans-93.2-28.9-176.4-68.10000112.9A100 R102 D106 S131 H134 V139A100-C108 HydrophobicContact CB-CB 4.43Å; A100-C108 WeakPolarHBondContact O-CA 3.39Å; A100-C108 WeakPolarHBondContact O-CB 3.31Å; A100-C108 PolarHBondContact O-N 2.81Å; R102-C108 WeakPolarHBondContact CB-SG 3.07Å; D106-C108 PolarHBondContact O-N 2.82Å; D106-C108 PolarHBondContact O-SG 3.19Å; D106-C108 VanDerWaalsContact O-SG 3.4Å; C108-S131 WeakPolarHBondContact O-CB 3.33Å; C108-S131 PolarHBondContact O-N 2.86Å; C108-S131 PolarHBondContact O-OG 3.37Å; C108-H134 HydrophobicContact CB-CB 4.24Å; C108-H134 VanDerWaalsContact SG-CD2 3.54Å; C108-V139 HydrophobicContact CB-CG1 3.87Å; C108-V139 HydrophobicContact CB-CG2 4.2Å
109G85.6Confident78.6Confident0 Ų039.1 Ų39.10%027%0.266CS..EExtended strand (participates in β ladder)trans-174.4167.5-177.900000113.2V99 A100 S129V99-G109 CarbonylContact C-O 3.57Å; V99-G109 WeakPolarHBondContact CA-O 3.39Å; V99-G109 WeakPolarHBondContact CG1-O 3.28Å; A100-G109 PolarHBondContact N-O 3.12Å; A100-G109 PolarHBondContact O-N 3.45Å; G109-S129 CarbonylContact C-O 3.55Å; G109-S129 WeakPolarHBondContact CA-O 3.47Å
110V86.9Confident77.6Confident4 Ų441 Ų412%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-132.6138.2-172.7176.90000108.8V19 W98 L128 S129V19-V110 HydrophobicContact CB-CG2 4.03Å; V19-V110 HydrophobicContact CG1-CB 4.3Å; V19-V110 HydrophobicContact CG1-CG1 3.76Å; V19-V110 HydrophobicContact CG1-CG2 3.6Å; V19-V110 HydrophobicContact CG2-CG2 3.64Å; W98-V110 CarbonylContact O-C 3.42Å; W98-V110 WeakPolarHBondContact O-CA 3.12Å; V110-L128 WeakPolarHBondContact O-CA 3.4Å; V110-S129 PolarHBondContact N-O 3.29Å; V110-S129 PolarHBondContact O-N 3.26Å
111L86.6Confident76.8Confident0 Ų042.1 Ų42.10%029%0.291CS..EExtended strand (participates in β ladder)trans-130.6129.7174.9171.277.6000108.6W98 L113 V125 R127 L128 L143 F146 A147W98-L111 HydrophobicContact CB-CB 4.31Å; W98-L111 PolarHBondContact N-O 2.83Å; W98-L111 PolarHBondContact O-N 2.81Å; L111-L113 HydrophobicContact CD1-CD2 4.16Å; L111-L113 HydrophobicContact CD2-CD2 4.43Å; L111-L113 HydrophobicContact CD2-CG 4.36Å; L111-L113 HydrophobicContact CG-CD2 4.38Å; L111-L113 HydrophobicContact CG-CG 4.38Å; L111-V125 HydrophobicContact CD1-CG1 3.81Å; L111-V125 HydrophobicContact CD1-CG2 4.22Å; L111-R127 CarbonylContact C-O 3.52Å; L111-R127 VanDerWaalsContact CA-O 3.27Å; L111-R127 WeakPolarHBondContact CA-O 3.35Å; L111-L128 HydrophobicContact CB-CD1 4.41Å; L111-L128 HydrophobicContact CD1-CD1 4.07Å; L111-L143 HydrophobicContact CB-CD2 3.95Å; L111-F146 HydrophobicContact CD2-CD1 3.94Å; L111-A147 HydrophobicContact CD1-CB 4.22Å; L111-A147 HydrophobicContact CD2-CB 3.78Å
112A83.5Confident76.4Confident1 Ų142.3 Ų42.31%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-122.2137.7165.900000109P89 T126 R127P89-A112 HydrophobicContact CG-CB 3.98Å; A112-T126 WeakPolarHBondContact CB-OG1 3.3Å; A112-T126 PolarHBondContact O-N 2.83Å; A112-T126 PolarHBondContact O-OG1 2.77Å; A112-T126 VanDerWaalsContact O-OG1 3.12Å; A112-R127 HydrophobicContact CB-CB 3.83Å; A112-R127 HydrophobicContact CB-CG 4.15Å; A112-R127 PolarHBondContact N-O 2.93Å; A112-R127 PolarHBondContact O-N 2.67Å
113L81.2Confident76.3Confident0 Ų040.8 Ų40.80%029%0.289CS..EExtended strand (participates in β ladder)trans-111155.1176.7-60.1171.6000108.6L94 G95 L111 R124 V125 A147 R150 L165L94-L113 HydrophobicContact CD2-CB 4.37Å; L94-L113 HydrophobicContact CD2-CD1 4.11Å; G95-L113 WeakPolarHBondContact CA-O 3.18Å; L111-L113 HydrophobicContact CD1-CD2 4.16Å; L111-L113 HydrophobicContact CD2-CD2 4.43Å; L111-L113 HydrophobicContact CD2-CG 4.36Å; L111-L113 HydrophobicContact CG-CD2 4.38Å; L111-L113 HydrophobicContact CG-CG 4.38Å; L113-R124 CarbonylContact C-O 3.57Å; L113-R124 WeakPolarHBondContact CA-O 3.31Å; L113-V125 HydrophobicContact CD2-CB 4.48Å; L113-V125 HydrophobicContact CD2-CG2 3.78Å; L113-A147 HydrophobicContact CD2-CB 3.91Å; L113-R150 HydrophobicContact CD1-CB 3.93Å; L113-L165 HydrophobicContact CD2-CD1 4.38Å
114A78.7Confident76.7Confident19 Ų1941 Ų4116%0.15727%0.272CS..EExtended strand (participates in β ladder)trans-139.2152.9164.700000108.6R124 T126A114-R124 PolarHBondContact N-O 3.04Å; A114-R124 PolarHBondContact O-N 2.78Å; A114-T126 HydrophobicContact CB-CG2 3.34Å
115P75.6Confident77.6Confident76 Ų7635.6 Ų35.649%0.49423%0.234SC..EExtended strand (participates in β ladder)trans-59.2145.3165.126.9-32.9000109.8L94 W154L94-P115 HydrophobicContact CD1-CB 4.43Å; P115-W154 HydrophobicContact CB-CH2 4.23Å; P115-W154 HydrophobicContact CB-CZ2 3.87Å
116G70.5Confident77.9Confident15 Ų1535.7 Ų35.716%0.15523%0.228CC..  trans-60.8152.5170.500000111N118 G122G116-N118 VanDerWaalsContact C-N 3.28Å; G116-N118 PolarHBondContact O-N 3.44Å; G116-G122 WeakPolarHBondContact CA-O 3.16Å; G116-G122 PolarHBondContact N-O 3.02Å
117A66.6Low77.6Confident93 Ų9332.8 Ų32.877%0.76921%0.21SC*.SBendtrans-73.3-23.4-173.900000112.8
118N65.4Low77.6Confident122 Ų12233.8 Ų33.865%0.65222%0.215SC*.SBendtrans-119.9153.7-178.2-62.4-46.7000110.8G116 G120 D121G116-N118 VanDerWaalsContact C-N 3.28Å; G116-N118 PolarHBondContact O-N 3.44Å; N118-G120 PolarHBondContact O-N 2.81Å; N118-D121 HydrophobicContact CB-CB 4.28Å; N118-D121 WeakPolarHBondContact O-CB 3.36Å; N118-D121 PolarHBondContact O-N 2.9Å
119V63Low77.4Confident140 Ų14034.6 Ų34.685%0.84822%0.221SC*.THydrogen-bonded Turntrans-57.5130.8170-177.80000108.8D121V119-D121 VanDerWaalsContact C-N 3.33Å; V119-D121 PolarHBondContact O-N 3.43Å
120G65.7Low77.4Confident39 Ų3935.9 Ų35.940%0.40223%0.229SC..THydrogen-bonded Turntrans80.4-3.3-173.300000116.5N118 G122N118-G120 PolarHBondContact O-N 2.81Å; G120-G122 PolarHBondContact O-N 2.8Å
121D68.6Low77.1Confident25 Ų2536.4 Ų36.413%0.13423%0.233CC..  trans-77.5-6.6174.8-155.643.8000112.1N118 V119 R124N118-D121 HydrophobicContact CB-CB 4.28Å; N118-D121 WeakPolarHBondContact O-CB 3.36Å; N118-D121 PolarHBondContact O-N 2.9Å; V119-D121 VanDerWaalsContact C-N 3.33Å; V119-D121 PolarHBondContact O-N 3.43Å; D121-R124 IonicContact OD2-CZ 3.32Å; D121-R124 IonicContact OD2-NE 2.83Å; D121-R124 IonicContact OD2-NH2 3.73Å; D121-R124 PolarHBondContact OD2-NH2 3.46Å
122G78.3Confident76.6Confident10 Ų1043.6 Ų43.610%0.10326%0.26CS..  trans66.7-147.717500000113.2G116 G120 R164G116-G122 WeakPolarHBondContact CA-O 3.16Å; G116-G122 PolarHBondContact N-O 3.02Å; G120-G122 PolarHBondContact O-N 2.8Å; G122-R164 CarbonylContact C-O 3.49Å; G122-R164 WeakPolarHBondContact CA-O 3.3Å
123A82.8Confident76.2Confident1 Ų154.2 Ų54.21%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-94.6144.5172.300000110.4L94 A151 R164 L165 V166L94-A123 HydrophobicContact CD1-CB 4.25Å; L94-A123 HydrophobicContact CD2-CB 4.34Å; A123-A151 HydrophobicContact CB-CB 3.74Å; A123-R164 PolarHBondContact N-O 3.03Å; A123-L165 HydrophobicContact CB-CD1 4.1Å; A123-L165 CarbonylContact O-C 3.54Å; A123-L165 VanDerWaalsContact O-CA 3.29Å; A123-L165 WeakPolarHBondContact O-CA 3.23Å; A123-L165 VanDerWaalsContact O-CD1 3.29Å; A123-L165 WeakPolarHBondContact O-CD1 3.4Å; A123-V166 PolarHBondContact O-N 3.18Å
124R82.9Confident76Confident60 Ų6055.4 Ų55.423%0.22631%0.305CS..EExtended strand (participates in β ladder)trans-117.5131.2178.6-172177.9-71.8-127.4-0.5110.6L113 A114 D121 T126 V166 E201L113-R124 CarbonylContact C-O 3.57Å; L113-R124 WeakPolarHBondContact CA-O 3.31Å; A114-R124 PolarHBondContact N-O 3.04Å; A114-R124 PolarHBondContact O-N 2.78Å; D121-R124 IonicContact OD2-CZ 3.32Å; D121-R124 IonicContact OD2-NE 2.83Å; D121-R124 IonicContact OD2-NH2 3.73Å; D121-R124 PolarHBondContact OD2-NH2 3.46Å; R124-T126 PolarHBondContact O-N 2.97Å; R124-V166 CarbonylContact C-O 3.37Å; R124-V166 WeakPolarHBondContact CA-O 3.22Å; R124-V166 HydrophobicContact CG-CB 4.43Å; R124-E201 IonicContact NH1-OE1 3.89Å; R124-E201 PolarHBondContact NH1-OE1 3.39Å; R124-E201 VanDerWaalsContact NH1-OE1 3.14Å
125V83.9Confident75.8Confident4 Ų461 Ų612%0.02432%0.322CS..EExtended strand (participates in β ladder)trans-75110.8168.9177.80000108.2L111 L113 L128 L165 V166 V167 P168L111-V125 HydrophobicContact CD1-CG1 3.81Å; L111-V125 HydrophobicContact CD1-CG2 4.22Å; L113-V125 HydrophobicContact CD2-CB 4.48Å; L113-V125 HydrophobicContact CD2-CG2 3.78Å; V125-L128 HydrophobicContact CG1-CB 3.94Å; V125-L165 HydrophobicContact CG2-CD1 3.81Å; V125-L165 HydrophobicContact CG2-CD2 4.49Å; V125-L165 HydrophobicContact CG2-CG 4.32Å; V125-V166 PolarHBondContact N-O 2.74Å; V125-V167 HydrophobicContact CB-CB 4.44Å; V125-V167 HydrophobicContact CB-CG1 4.16Å; V125-V167 HydrophobicContact CB-CG2 4.07Å; V125-V167 HydrophobicContact CG1-CG1 4.39Å; V125-V167 HydrophobicContact CG2-CG2 3.72Å; V125-P168 VanDerWaalsContact O-CD 3.24Å; V125-P168 WeakPolarHBondContact O-CD 3.43Å
126T77.4Confident75.9Confident36 Ų3669.8 Ų69.822%0.22135%0.346CS..EExtended strand (participates in β ladder)trans-86.2-35.4177.654.60000111.4A112 A114 R124A112-T126 WeakPolarHBondContact CB-OG1 3.3Å; A112-T126 PolarHBondContact O-N 2.83Å; A112-T126 PolarHBondContact O-OG1 2.77Å; A112-T126 VanDerWaalsContact O-OG1 3.12Å; A114-T126 HydrophobicContact CB-CG2 3.34Å; R124-T126 PolarHBondContact O-N 2.97Å
127R76.9Confident76.4Confident29 Ų2975.7 Ų75.711%0.10936%0.363CS..EExtended strand (participates in β ladder)trans-139134.1178.2-59.5-67.1-177.7-84.5-10110.1L23 W85 S87 L88 L111 A112L23-R127 HydrophobicContact CD1-CB 4.44Å; L23-R127 HydrophobicContact CD1-CG 4.41Å; L23-R127 HydrophobicContact CD2-CG 4.25Å; W85-R127 PolarHBondContact O-NH2 3.36Å; S87-R127 PolarHBondContact O-NH2 2.95Å; L88-R127 HydrophobicContact CD2-CG 4.26Å; L111-R127 CarbonylContact C-O 3.52Å; L111-R127 VanDerWaalsContact CA-O 3.27Å; L111-R127 WeakPolarHBondContact CA-O 3.35Å; A112-R127 HydrophobicContact CB-CB 3.83Å; A112-R127 HydrophobicContact CB-CG 4.15Å; A112-R127 PolarHBondContact N-O 2.93Å; A112-R127 PolarHBondContact O-N 2.67Å
128L83.7Confident77.1Confident35 Ų3573.4 Ų73.418%0.18335%0.349CS..EExtended strand (participates in β ladder)trans-142.4115.8166.8179.664.6000107.9V110 L111 V125 L143 L144 L176V110-L128 WeakPolarHBondContact O-CA 3.4Å; L111-L128 HydrophobicContact CB-CD1 4.41Å; L111-L128 HydrophobicContact CD1-CD1 4.07Å; V125-L128 HydrophobicContact CG1-CB 3.94Å; L128-L143 HydrophobicContact CD1-CB 3.84Å; L128-L143 HydrophobicContact CD1-CD1 3.74Å; L128-L143 HydrophobicContact CD1-CG 4.43Å; L128-L144 HydrophobicContact CD2-CD2 4.1Å; L128-L144 HydrophobicContact CD2-CG 4.32Å; L128-L176 HydrophobicContact CD2-CD1 3.69Å
129S82.5Confident78.1Confident17 Ų1767.7 Ų67.712%0.11932%0.318CS..EExtended strand (participates in β ladder)trans-134.8138.1176.3-172.50000109.8G109 V110G109-S129 CarbonylContact C-O 3.55Å; G109-S129 WeakPolarHBondContact CA-O 3.47Å; V110-S129 PolarHBondContact N-O 3.29Å; V110-S129 PolarHBondContact O-N 3.26Å
130V84Confident79.2Confident27 Ų2761.5 Ų61.516%0.16428%0.282CS..EExtended strand (participates in β ladder)trans-121.9131.3174.8-179.70000107.5R132 V139 L143V130-R132 PolarHBondContact O-N 3.06Å; V130-V139 HydrophobicContact CG1-CB 3.87Å; V130-V139 HydrophobicContact CG1-CG1 4.08Å; V130-V139 HydrophobicContact CG1-CG2 4.35Å; V130-V139 HydrophobicContact CG2-CB 4.46Å; V130-V139 HydrophobicContact CG2-CG1 4.35Å; V130-L143 HydrophobicContact CG2-CD1 4.32Å
131S81Confident80.2Confident16 Ų1667.7 Ų67.711%0.11229%0.294CS..  trans-53.1140.3175.658.90000110.5C108 W133 H134 R135C108-S131 WeakPolarHBondContact O-CB 3.33Å; C108-S131 PolarHBondContact O-N 2.86Å; C108-S131 PolarHBondContact O-OG 3.37Å; S131-W133 PolarHBondContact O-N 3.03Å; S131-H134 PolarHBondContact O-N 2.81Å; S131-H134 VanDerWaalsContact OG-CB 3.3Å; S131-H134 WeakPolarHBondContact OG-CB 3.47Å; S131-H134 PolarHBondContact OG-ND1 2.68Å; S131-R135 PolarHBondContact O-N 2.86Å
132R76.4Confident81.1Confident151 Ų15172.4 Ų72.457%0.5731%0.31SS*.G310 helixtrans-57.1-39.1-178.7-68.1-178.1174.8-170.89.2111.9D29 V130 H134 R135D29-R132 IonicContact OD1-CZ 3.25Å; D29-R132 IonicContact OD1-NH2 3.25Å; D29-R132 PolarHBondContact OD1-NH2 3.15Å; D29-R132 IonicContact OD2-CZ 3.4Å; D29-R132 VanDerWaalsContact OD2-CZ 3.25Å; D29-R132 IonicContact OD2-NE 3.92Å; D29-R132 PolarHBondContact OD2-NE 3.44Å; D29-R132 VanDerWaalsContact OD2-NE 3.16Å; D29-R132 IonicContact OD2-NH2 2.73Å; D29-R132 PolarHBondContact OD2-NH2 2.99Å; V130-R132 PolarHBondContact O-N 3.06Å; R132-H134 PolarHBondContact O-N 3.17Å; R132-R135 PolarHBondContact O-N 2.57Å
133W75.5Confident81.6Confident223 Ų22372 Ų7285%0.84531%0.305SS*.G310 helixtrans-65.9-21.2178.8-55.1111.4000114.4S131S131-W133 PolarHBondContact O-N 3.03Å
134H76.9Confident81.9Confident26 Ų2672 Ų7212%0.1231%0.305CS..G310 helixtrans-112.313180-59.191.8000113.6C108 S131 R132 R137 V139C108-H134 HydrophobicContact CB-CB 4.24Å; C108-H134 VanDerWaalsContact SG-CD2 3.54Å; S131-H134 PolarHBondContact O-N 2.81Å; S131-H134 VanDerWaalsContact OG-CB 3.3Å; S131-H134 WeakPolarHBondContact OG-CB 3.47Å; S131-H134 PolarHBondContact OG-ND1 2.68Å; R132-H134 PolarHBondContact O-N 3.17Å; H134-R137 PolarHBondContact O-N 3.05Å; H134-V139 HydrophobicContact CB-CG2 3.93Å; H134-V139 WeakPolarHBondContact O-CG2 3.21Å
135R74.1Confident82.1Confident136 Ų13671.6 Ų71.651%0.51332%0.315SS..THydrogen-bonded Turntrans-63.7149.2172.5-71.3-177.3-176.8178.12.2110.7S131 R132 R137S131-R135 PolarHBondContact O-N 2.86Å; R132-R135 PolarHBondContact O-N 2.57Å; R135-R137 PolarHBondContact O-N 3.11Å; R135-R137 VanDerWaalsContact O-N 3.1Å
136R77.6Confident82.4Confident261 Ų26173.5 Ų73.599%0.98532%0.323SS*.THydrogen-bonded Turntrans60.67.6-175.2-46.5-167.8-158.5-153.96.9116G138R136-G138 VanDerWaalsContact C-N 3.33Å; R136-G138 PolarHBondContact O-N 2.78Å
137R81.2Confident82.8Confident139 Ų13971.8 Ų71.853%0.52531%0.312SS..THydrogen-bonded Turntrans-93.922.6174.7-56.9-171.2175.7-163.7-3.4113.8H134 R135 V139H134-R137 PolarHBondContact O-N 3.05Å; R135-R137 PolarHBondContact O-N 3.11Å; R135-R137 VanDerWaalsContact O-N 3.1Å; R137-V139 HydrophobicContact CB-CG2 4.35Å; R137-V139 PolarHBondContact O-N 3.26Å
138G82Confident83.4Confident45 Ų4571.3 Ų71.346%0.46431%0.311SS..THydrogen-bonded Turntrans73.31.7179.800000116.3R136 G140 R141 R142R136-G138 VanDerWaalsContact C-N 3.33Å; R136-G138 PolarHBondContact O-N 2.78Å; G138-G140 PolarHBondContact O-N 3.3Å; G138-R141 PolarHBondContact O-N 3.25Å; G138-R142 PolarHBondContact O-N 3.35Å
139V85.8Confident83.6Confident2 Ų272 Ų721%0.01232%0.319CS..Hα-helixtrans-57.6-47.3-178.2-170.90000111.9L6 A100 C108 V130 H134 R137 R141 R142 L143L6-V139 HydrophobicContact CD1-CB 4.3Å; L6-V139 HydrophobicContact CD1-CG1 4.34Å; L6-V139 HydrophobicContact CD1-CG2 3.69Å; A100-V139 HydrophobicContact CB-CG1 3.76Å; C108-V139 HydrophobicContact CB-CG1 3.87Å; C108-V139 HydrophobicContact CB-CG2 4.2Å; V130-V139 HydrophobicContact CG1-CB 3.87Å; V130-V139 HydrophobicContact CG1-CG1 4.08Å; V130-V139 HydrophobicContact CG1-CG2 4.35Å; V130-V139 HydrophobicContact CG2-CB 4.46Å; V130-V139 HydrophobicContact CG2-CG1 4.35Å; H134-V139 HydrophobicContact CB-CG2 3.93Å; H134-V139 WeakPolarHBondContact O-CG2 3.21Å; R137-V139 HydrophobicContact CB-CG2 4.35Å; R137-V139 PolarHBondContact O-N 3.26Å; V139-R141 PolarHBondContact O-N 2.67Å; V139-R142 PolarHBondContact O-N 2.83Å; V139-L143 HydrophobicContact CG1-CD1 4.17Å; V139-L143 WeakPolarHBondContact O-CG 3.32Å; V139-L143 PolarHBondContact O-N 2.78Å
140G85.3Confident83.8Confident9 Ų976.2 Ų76.29%0.09333%0.333CS..Hα-helixtrans-61.6-42.5179.400000112.7G138 R142 L143 L144G138-G140 PolarHBondContact O-N 3.3Å; G140-R142 VanDerWaalsContact C-N 3.32Å; G140-R142 PolarHBondContact O-N 3.31Å; G140-L143 PolarHBondContact O-N 2.95Å; G140-L144 WeakPolarHBondContact O-CG 3.04Å; G140-L144 PolarHBondContact O-N 3.43Å
141R86.9Confident83.8Confident169 Ų16975 Ų7564%0.63833%0.326SS*.Hα-helixtrans-63.2-38.8177.2-169.8175-178.1-175.91.1111.7G138 V139 L144 A145 L179G138-R141 PolarHBondContact O-N 3.25Å; V139-R141 PolarHBondContact O-N 2.67Å; R141-L144 PolarHBondContact O-N 2.93Å; R141-A145 WeakPolarHBondContact O-CB 3.4Å; R141-A145 PolarHBondContact O-N 3.4Å; R141-L179 HydrophobicContact CB-CD1 4.28Å
142R88.4Confident84Confident125 Ų12579.4 Ų79.447%0.47234%0.34SS..Hα-helixtrans-70.8-39.4178.1-163.7128.3176.8158.3-0.7112.4L6 V8 G138 V139 G140 A145 F146L6-R142 HydrophobicContact CD2-CB 3.79Å; L6-R142 HydrophobicContact CD2-CG 3.73Å; L6-R142 PolarHBondContact O-NE 2.82Å; L6-R142 PolarHBondContact O-NH2 3.25Å; V8-R142 HydrophobicContact CG2-CG 4.44Å; G138-R142 PolarHBondContact O-N 3.35Å; V139-R142 PolarHBondContact O-N 2.83Å; G140-R142 VanDerWaalsContact C-N 3.32Å; G140-R142 PolarHBondContact O-N 3.31Å; R142-A145 PolarHBondContact O-N 3.28Å; R142-F146 WeakPolarHBondContact O-CB 3.18Å; R142-F146 PolarHBondContact O-N 3.43Å
143L88.4Confident84.3Confident0 Ų075 Ų750%034%0.335CS..Hα-helixtrans-63.4-41.2172.6-74.6173.3000111.5V8 A100 L111 L128 V130 V139 G140 F146 A147V8-L143 HydrophobicContact CG1-CD2 4.13Å; V8-L143 HydrophobicContact CG2-CD2 4.06Å; A100-L143 HydrophobicContact CB-CD1 4.13Å; A100-L143 HydrophobicContact CB-CD2 3.66Å; A100-L143 HydrophobicContact CB-CG 3.91Å; L111-L143 HydrophobicContact CB-CD2 3.95Å; L128-L143 HydrophobicContact CD1-CB 3.84Å; L128-L143 HydrophobicContact CD1-CD1 3.74Å; L128-L143 HydrophobicContact CD1-CG 4.43Å; V130-L143 HydrophobicContact CG2-CD1 4.32Å; V139-L143 HydrophobicContact CG1-CD1 4.17Å; V139-L143 WeakPolarHBondContact O-CG 3.32Å; V139-L143 PolarHBondContact O-N 2.78Å; G140-L143 PolarHBondContact O-N 2.95Å; L143-F146 PolarHBondContact O-N 2.81Å; L143-A147 WeakPolarHBondContact O-CB 3.27Å; L143-A147 PolarHBondContact O-N 2.98Å
144L88.4Confident84.7Confident1 Ų166.7 Ų66.71%0.00530%0.304CS..Hα-helixtrans-64.9-47174.7-73.2169.4000111.9L128 G140 R141 F146 A147 E148 L179 L180L128-L144 HydrophobicContact CD2-CD2 4.1Å; L128-L144 HydrophobicContact CD2-CG 4.32Å; G140-L144 WeakPolarHBondContact O-CG 3.04Å; G140-L144 PolarHBondContact O-N 3.43Å; R141-L144 PolarHBondContact O-N 2.93Å; L144-F146 PolarHBondContact O-N 2.83Å; L144-A147 WeakPolarHBondContact O-CA 3.35Å; L144-A147 VanDerWaalsContact O-CB 3.3Å; L144-A147 WeakPolarHBondContact O-CB 3.33Å; L144-A147 PolarHBondContact O-N 3.43Å; L144-E148 WeakPolarHBondContact O-CG 3.33Å; L144-E148 PolarHBondContact O-N 2.78Å; L144-L179 HydrophobicContact CD1-CD2 3.86Å; L144-L179 HydrophobicContact CD1-CG 3.95Å; L144-L180 HydrophobicContact CD1-CD2 3.79Å; L144-L180 HydrophobicContact CD2-CD2 3.79Å; L144-L180 HydrophobicContact CG-CD2 4.47Å
145A88.8Confident84.9Confident53 Ų5365.7 Ų65.744%0.43830%0.3SS..Hα-helixtrans-58.9-37.5175.900000112.2R141 R142 E148 S149R141-A145 WeakPolarHBondContact O-CB 3.4Å; R141-A145 PolarHBondContact O-N 3.4Å; R142-A145 PolarHBondContact O-N 3.28Å; A145-E148 PolarHBondContact O-N 3.03Å; A145-S149 PolarHBondContact O-N 2.84Å
146F88.4Confident85.2Confident43 Ų4362.1 Ų62.119%0.18931%0.305CS..Hα-helixtrans-65.2-45.4172.9-178.3-92.2000111.8V8 W98 L111 R142 L143 L144 E148 S149 R150V8-F146 HydrophobicContact CB-CB 4.37Å; V8-F146 HydrophobicContact CB-CD1 4.45Å; V8-F146 HydrophobicContact CB-CD2 3.84Å; V8-F146 HydrophobicContact CB-CE2 4.23Å; V8-F146 HydrophobicContact CB-CG 3.95Å; V8-F146 HydrophobicContact CG1-CB 4.3Å; V8-F146 HydrophobicContact CG1-CD1 3.66Å; V8-F146 HydrophobicContact CG1-CD2 3.89Å; V8-F146 HydrophobicContact CG1-CE1 3.89Å; V8-F146 HydrophobicContact CG1-CE2 4.09Å; V8-F146 HydrophobicContact CG1-CG 3.66Å; V8-F146 HydrophobicContact CG1-CZ 4.09Å; V8-F146 HydrophobicContact CG2-CB 4.15Å; V8-F146 HydrophobicContact CG2-CD2 4.45Å; V8-F146 HydrophobicContact CG2-CG 4.27Å; W98-F146 HydrophobicContact CB-CE1 4.12Å; W98-F146 AromaticContact CD1-CE1 4Å; W98-F146 AromaticContact CD2-CE1 3.35Å; W98-F146 HydrophobicContact CD2-CE1 3.35Å; W98-F146 AromaticContact CD2-CZ 3.65Å; W98-F146 HydrophobicContact CD2-CZ 3.65Å; W98-F146 AromaticContact CE2-CE1 3.76Å; W98-F146 AromaticContact CE3-CE1 3.64Å; W98-F146 HydrophobicContact CE3-CE1 3.64Å; W98-F146 AromaticContact CE3-CZ 3.42Å; W98-F146 HydrophobicContact CE3-CZ 3.42Å; W98-F146 VanDerWaalsContact CE3-CZ 3.42Å; W98-F146 HydrophobicContact CG-CD1 4.36Å; W98-F146 AromaticContact CG-CE1 3.55Å; W98-F146 HydrophobicContact CG-CE1 3.55Å; W98-F146 HydrophobicContact CG-CZ 4.3Å; W98-F146 HydrophobicContact CH2-CZ 4.15Å; W98-F146 HydrophobicContact CZ2-CE1 4.4Å; W98-F146 HydrophobicContact CZ2-CZ 4.31Å; W98-F146 HydrophobicContact CZ3-CE1 4.29Å; W98-F146 AromaticContact CZ3-CZ 3.7Å; W98-F146 HydrophobicContact CZ3-CZ 3.7Å; L111-F146 HydrophobicContact CD2-CD1 3.94Å; R142-F146 WeakPolarHBondContact O-CB 3.18Å; R142-F146 PolarHBondContact O-N 3.43Å; L143-F146 PolarHBondContact O-N 2.81Å; L144-F146 PolarHBondContact O-N 2.83Å; F146-E148 VanDerWaalsContact C-N 3.32Å; F146-E148 PolarHBondContact O-N 2.96Å; F146-S149 PolarHBondContact O-N 3.14Å; F146-S149 PolarHBondContact O-OG 3.32Å; F146-R150 HydrophobicContact CE1-CG 3.98Å; F146-R150 HydrophobicContact CZ-CG 4.09Å; F146-R150 PolarHBondContact O-N 3.49Å
147A87.3Confident85.2Confident0 Ų054.1 Ų54.10%029%0.289CS..Hα-helixtrans-55.8-45.6174.500000112.1L111 L113 L143 L144 R150 A151 L165L111-A147 HydrophobicContact CD1-CB 4.22Å; L111-A147 HydrophobicContact CD2-CB 3.78Å; L113-A147 HydrophobicContact CD2-CB 3.91Å; L143-A147 WeakPolarHBondContact O-CB 3.27Å; L143-A147 PolarHBondContact O-N 2.98Å; L144-A147 WeakPolarHBondContact O-CA 3.35Å; L144-A147 VanDerWaalsContact O-CB 3.3Å; L144-A147 WeakPolarHBondContact O-CB 3.33Å; L144-A147 PolarHBondContact O-N 3.43Å; A147-R150 PolarHBondContact O-N 3.49Å; A147-A151 WeakPolarHBondContact O-CB 3.32Å; A147-A151 PolarHBondContact O-N 2.78Å; A147-L165 HydrophobicContact CB-CD2 3.78Å
148E89.4Confident85Confident19 Ų1953 Ų539%0.08929%0.292CS..Hα-helixtrans-61.6-45.2177.8-68.5180-175.200111.4L144 A145 F146 R150 A151 R152 L165 Y185 K204 L206L144-E148 WeakPolarHBondContact O-CG 3.33Å; L144-E148 PolarHBondContact O-N 2.78Å; A145-E148 PolarHBondContact O-N 3.03Å; F146-E148 VanDerWaalsContact C-N 3.32Å; F146-E148 PolarHBondContact O-N 2.96Å; E148-R150 VanDerWaalsContact C-N 3.3Å; E148-R150 PolarHBondContact O-N 3.35Å; E148-A151 PolarHBondContact O-N 3.47Å; E148-R152 WeakPolarHBondContact O-CG 3.28Å; E148-R152 PolarHBondContact O-N 3Å; E148-R152 IonicContact OE2-NH2 3.81Å; E148-L165 HydrophobicContact CG-CD2 3.83Å; E148-Y185 WeakPolarHBondContact CG-OH 3.29Å; E148-Y185 WeakPolarHBondContact OE1-CE2 3.11Å; E148-Y185 PolarHBondContact OE1-OH 3.4Å; E148-K204 IonicContact OE1-NZ 3.11Å; E148-K204 PolarHBondContact OE1-NZ 3.4Å; E148-K204 IonicContact OE2-NZ 3.81Å; E148-K204 PolarHBondContact OE2-NZ 3.48Å; E148-L206 HydrophobicContact CB-CD1 4.03Å; E148-L206 HydrophobicContact CB-CD2 3.89Å; E148-L206 HydrophobicContact CG-CD1 4.22Å; E148-L206 HydrophobicContact CG-CD2 3.55Å
149S87.9Confident84.4Confident51 Ų5154 Ų5436%0.35730%0.301SS..Hα-helixtrans-61.6-39.1178.276.20000112.3A145 F146 A153A145-S149 PolarHBondContact O-N 2.84Å; F146-S149 PolarHBondContact O-N 3.14Å; F146-S149 PolarHBondContact O-OG 3.32Å; S149-A153 WeakPolarHBondContact O-CB 3.47Å; S149-A153 PolarHBondContact O-N 2.88Å
150R85.9Confident83.8Confident105 Ų10556.7 Ų56.740%0.39631%0.314SS..Hα-helixtrans-70.7-39.2175.5-89.8-65.8-174-178.20.9113.1L113 F146 A147 E148 R152 A153 W154L113-R150 HydrophobicContact CD1-CB 3.93Å; F146-R150 HydrophobicContact CE1-CG 3.98Å; F146-R150 HydrophobicContact CZ-CG 4.09Å; F146-R150 PolarHBondContact O-N 3.49Å; A147-R150 PolarHBondContact O-N 3.49Å; E148-R150 VanDerWaalsContact C-N 3.3Å; E148-R150 PolarHBondContact O-N 3.35Å; R150-R152 VanDerWaalsContact C-N 3.34Å; R150-A153 PolarHBondContact O-N 3.31Å; R150-W154 WeakPolarHBondContact O-CB 3.46Å; R150-W154 PolarHBondContact O-N 3.49Å
151A83.7Confident82.9Confident2 Ų262 Ų622%0.01735%0.347CS..Hα-helixtrans-61.4-42.6174.800000111.2A123 A147 E148 W154 A155 L165 L206A123-A151 HydrophobicContact CB-CB 3.74Å; A147-A151 WeakPolarHBondContact O-CB 3.32Å; A147-A151 PolarHBondContact O-N 2.78Å; E148-A151 PolarHBondContact O-N 3.47Å; A151-W154 PolarHBondContact O-N 2.82Å; A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 3.44Å; A151-L165 HydrophobicContact CB-CD1 4.48Å; A151-L206 HydrophobicContact CB-CD1 3.59Å
152R85.1Confident82.1Confident108 Ų10863 Ų6341%0.40835%0.351SS..Hα-helixtrans-63-47174-68.9-167.4-147.794.49.2112.8E148 R150 W154 A155 G156 A163 L206E148-R152 WeakPolarHBondContact O-CG 3.28Å; E148-R152 PolarHBondContact O-N 3Å; E148-R152 IonicContact OE2-NH2 3.81Å; R150-R152 VanDerWaalsContact C-N 3.34Å; R152-W154 VanDerWaalsContact C-N 3.27Å; R152-W154 PolarHBondContact O-N 3.34Å; R152-A155 PolarHBondContact O-N 3.33Å; R152-G156 PolarHBondContact O-N 3.37Å; R152-A163 HydrophobicContact CB-CB 4.49Å; R152-A163 HydrophobicContact CG-CB 4.03Å; R152-L206 HydrophobicContact CG-CB 3.9Å; R152-L206 HydrophobicContact CG-CD1 4.34Å; R152-L206 PolarHBondContact NE-OXT 2.89Å
153A84.4Confident81.7Confident57 Ų5757.6 Ų57.647%0.47133%0.332SS..Hα-helixtrans-61.2-39.1179.300000111.8S149 R150 S157S149-A153 WeakPolarHBondContact O-CB 3.47Å; S149-A153 PolarHBondContact O-N 2.88Å; R150-A153 PolarHBondContact O-N 3.31Å; A153-S157 PolarHBondContact O-N 2.86Å; A153-S157 VanDerWaalsContact O-N 3.09Å
154W81.9Confident81.5Confident50 Ų5060.5 Ų60.519%0.18934%0.343CS..Hα-helixtrans-70.4-45176.9179.277.9000112.8L94 P115 R150 A151 R152 G156 S157 M158L94-W154 HydrophobicContact CD1-CB 3.83Å; L94-W154 VanDerWaalsContact CD1-CD1 3.44Å; L94-W154 HydrophobicContact CD1-CD2 3.18Å; L94-W154 HydrophobicContact CD1-CE3 3.78Å; L94-W154 HydrophobicContact CD1-CG 3.19Å; L94-W154 HydrophobicContact CD1-CH2 4.5Å; L94-W154 HydrophobicContact CD1-CZ2 4Å; L94-W154 HydrophobicContact CD1-CZ3 4.41Å; L94-W154 HydrophobicContact CD2-CB 4Å; L94-W154 HydrophobicContact CD2-CG 4.24Å; L94-W154 HydrophobicContact CG-CB 3.71Å; L94-W154 HydrophobicContact CG-CD2 4.03Å; L94-W154 HydrophobicContact CG-CG 3.46Å; L94-W154 VanDerWaalsContact CG-CG 3.46Å; P115-W154 HydrophobicContact CB-CH2 4.23Å; P115-W154 HydrophobicContact CB-CZ2 3.87Å; R150-W154 WeakPolarHBondContact O-CB 3.46Å; R150-W154 PolarHBondContact O-N 3.49Å; A151-W154 PolarHBondContact O-N 2.82Å; R152-W154 VanDerWaalsContact C-N 3.27Å; R152-W154 PolarHBondContact O-N 3.34Å; W154-G156 VanDerWaalsContact C-N 3.27Å; W154-G156 PolarHBondContact O-N 3.42Å; W154-S157 WeakPolarHBondContact CA-OG 3.41Å; W154-S157 PolarHBondContact O-N 2.93Å; W154-S157 PolarHBondContact O-OG 2.86Å; W154-M158 HydrophobicContact CH2-CE 4.16Å; W154-M158 HydrophobicContact CH2-SD 3.71Å; W154-M158 HydrophobicContact CZ2-CE 3.3Å; W154-M158 HydrophobicContact CZ2-CG 4.22Å; W154-M158 HydrophobicContact CZ2-SD 3.37Å; W154-M158 WeakPolarHBondContact CZ2-SD 3.29Å; W154-M158 HydrophobicContact CZ3-SD 4.48Å; W154-M158 PolarHBondContact O-N 3.36Å
155A81.1Confident81.3Confident4 Ų460.4 Ų60.43%0.03334%0.343CS..Hα-helixtrans-57.7-43.2175.600000111.3A151 R152 S157 M158 G159 E160 A163A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 3.44Å; R152-A155 PolarHBondContact O-N 3.33Å; A155-S157 VanDerWaalsContact C-N 3.32Å; A155-S157 PolarHBondContact O-N 3.49Å; A155-M158 PolarHBondContact O-N 2.95Å; A155-M158 VanDerWaalsContact O-N 3.15Å; A155-G159 PolarHBondContact O-N 3.47Å; A155-E160 HydrophobicContact CB-CB 4.18Å; A155-E160 PolarHBondContact O-N 2.98Å; A155-A163 HydrophobicContact CB-CB 3.65Å
156G80.4Confident81.1Confident61 Ų6158 Ų5863%0.62932%0.323SS*.Hα-helixtrans-61.3-36.4173.900000113.5R152 W154 G159R152-G156 PolarHBondContact O-N 3.37Å; W154-G156 VanDerWaalsContact C-N 3.27Å; W154-G156 PolarHBondContact O-N 3.42Å; G156-G159 PolarHBondContact O-N 2.96Å
157S78.9Confident80.8Confident93 Ų9356.1 Ų56.165%0.6532%0.315SS*.Hα-helixtrans-71.8-26.7175.172.80000114A153 W154 A155A153-S157 PolarHBondContact O-N 2.86Å; A153-S157 VanDerWaalsContact O-N 3.09Å; W154-S157 WeakPolarHBondContact CA-OG 3.41Å; W154-S157 PolarHBondContact O-N 2.93Å; W154-S157 PolarHBondContact O-OG 2.86Å; A155-S157 VanDerWaalsContact C-N 3.32Å; A155-S157 PolarHBondContact O-N 3.49Å
158M75.6Confident80.4Confident117 Ų11758.3 Ų58.358%0.57633%0.329SS*.Hα-helixtrans-89.4-6.9176.5-87.4-152.5175.400113.7W154 A155 E160W154-M158 HydrophobicContact CH2-CE 4.16Å; W154-M158 HydrophobicContact CH2-SD 3.71Å; W154-M158 HydrophobicContact CZ2-CE 3.3Å; W154-M158 HydrophobicContact CZ2-CG 4.22Å; W154-M158 HydrophobicContact CZ2-SD 3.37Å; W154-M158 WeakPolarHBondContact CZ2-SD 3.29Å; W154-M158 HydrophobicContact CZ3-SD 4.48Å; W154-M158 PolarHBondContact O-N 3.36Å; A155-M158 PolarHBondContact O-N 2.95Å; A155-M158 VanDerWaalsContact O-N 3.15Å; M158-E160 HydrophobicContact CB-CG 4.17Å; M158-E160 PolarHBondContact O-N 3.28Å
159G70.8Confident79.8Confident65 Ų6557.6 Ų57.667%0.6733%0.326SS*.THydrogen-bonded Turntrans70.319.5-173.700000113.5A155 G156A155-G159 PolarHBondContact O-N 3.47Å; G156-G159 PolarHBondContact O-N 2.96Å
160E72.6Confident79Confident58 Ų5855.8 Ų55.827%0.27131%0.314SS..  trans-73.5126.9176.6-80.8-76.217100109.7A155 M158 R162A155-E160 HydrophobicContact CB-CB 4.18Å; A155-E160 PolarHBondContact O-N 2.98Å; M158-E160 HydrophobicContact CB-CG 4.17Å; M158-E160 PolarHBondContact O-N 3.28Å; E160-R162 PolarHBondContact O-N 3.36Å
161P66Low78.2Confident122 Ų12252.8 Ų52.879%0.79231%0.307SS*.SBendtrans-71.6-15.2-175.828-34.7000113.3
162R69.8Low77.3Confident190 Ų19053.4 Ų53.472%0.71731%0.312SS*.SBendtrans-137122.2179-74.7-175.7167.2166-3.9110.9E160E160-R162 PolarHBondContact O-N 3.36Å
163A79.9Confident76.7Confident10 Ų1049.3 Ų49.38%0.08330%0.301CS..  trans-81.1125.5169.400000108.7R152 A155 L206R152-A163 HydrophobicContact CB-CB 4.49Å; R152-A163 HydrophobicContact CG-CB 4.03Å; A155-A163 HydrophobicContact CB-CB 3.65Å; A163-L206 HydrophobicContact CB-CB 3.8Å; A163-L206 HydrophobicContact CB-CD1 4.39Å; A163-L206 WeakPolarHBondContact O-CB 3.27Å; A163-L206 PolarHBondContact O-N 3.4Å
164R84.2Confident76.1Confident61 Ų6155.7 Ų55.723%0.2331%0.313CS..EExtended strand (participates in β ladder)trans-124.7139.9176.5-171.9174.4175.7-150.47.5109.6G122 A123 E188 K204G122-R164 CarbonylContact C-O 3.49Å; G122-R164 WeakPolarHBondContact CA-O 3.3Å; A123-R164 PolarHBondContact N-O 3.03Å; R164-E188 IonicContact CZ-OE1 2.64Å; R164-E188 IonicContact CZ-OE2 3.14Å; R164-E188 IonicContact NE-OE1 3.16Å; R164-E188 IonicContact NE-OE2 2.96Å; R164-E188 IonicContact NH2-OE1 2.72Å; R164-E188 PolarHBondContact NH2-OE1 2.94Å; R164-E188 VanDerWaalsContact NH2-OE1 3.11Å; R164-E188 IonicContact NH2-OE2 3.85Å; R164-E188 PolarHBondContact NH2-OE2 2.86Å; R164-K204 WeakPolarHBondContact CA-O 3.37Å
165L84.9Confident75.7Confident0 Ų056.6 Ų56.60%034%0.338CS..EExtended strand (participates in β ladder)trans-123119.1176.8-176.557.9000111L113 A123 V125 A147 E148 A151 V167 Y185 S203 K204 L206L113-L165 HydrophobicContact CD2-CD1 4.38Å; A123-L165 HydrophobicContact CB-CD1 4.1Å; A123-L165 CarbonylContact O-C 3.54Å; A123-L165 VanDerWaalsContact O-CA 3.29Å; A123-L165 WeakPolarHBondContact O-CA 3.23Å; A123-L165 VanDerWaalsContact O-CD1 3.29Å; A123-L165 WeakPolarHBondContact O-CD1 3.4Å; V125-L165 HydrophobicContact CG2-CD1 3.81Å; V125-L165 HydrophobicContact CG2-CD2 4.49Å; V125-L165 HydrophobicContact CG2-CG 4.32Å; A147-L165 HydrophobicContact CB-CD2 3.78Å; E148-L165 HydrophobicContact CG-CD2 3.83Å; A151-L165 HydrophobicContact CB-CD1 4.48Å; L165-V167 HydrophobicContact CG-CG2 4.49Å; L165-Y185 HydrophobicContact CB-CE1 4.46Å; L165-Y185 HydrophobicContact CD2-CE1 4.44Å; L165-Y185 VanDerWaalsContact CD2-OH 3.24Å; L165-Y185 WeakPolarHBondContact CD2-OH 3.38Å; L165-Y185 HydrophobicContact CG-CE1 4.31Å; L165-S203 CarbonylContact O-C 3.44Å; L165-S203 WeakPolarHBondContact O-CA 2.83Å; L165-K204 PolarHBondContact N-O 3.1Å; L165-K204 PolarHBondContact O-N 3.01Å; L165-L206 HydrophobicContact CB-CD1 3.87Å; L165-L206 HydrophobicContact CB-CG 4.42Å
166V84.2Confident75.6Confident3 Ų358.3 Ų58.32%0.01835%0.347CS..EExtended strand (participates in β ladder)trans-106.2129.1-180-176.30000110.6A123 R124 V125 E201 F202A123-V166 PolarHBondContact O-N 3.18Å; R124-V166 CarbonylContact C-O 3.37Å; R124-V166 WeakPolarHBondContact CA-O 3.22Å; R124-V166 HydrophobicContact CG-CB 4.43Å; V125-V166 PolarHBondContact N-O 2.74Å; V166-E201 HydrophobicContact CG1-CB 4.4Å; V166-F202 CarbonylContact C-O 3.52Å; V166-F202 WeakPolarHBondContact CA-O 3.49Å
167V83.6Confident75.6Confident3 Ų356.4 Ų56.42%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-123.2102.1179.9-169.10000109.5V125 L165 V169 L180 Y185 F202V125-V167 HydrophobicContact CB-CB 4.44Å; V125-V167 HydrophobicContact CB-CG1 4.16Å; V125-V167 HydrophobicContact CB-CG2 4.07Å; V125-V167 HydrophobicContact CG1-CG1 4.39Å; V125-V167 HydrophobicContact CG2-CG2 3.72Å; L165-V167 HydrophobicContact CG-CG2 4.49Å; V167-V169 HydrophobicContact CG1-CG2 3.97Å; V167-V169 PolarHBondContact O-N 3.49Å; V167-L180 HydrophobicContact CB-CD1 4.05Å; V167-L180 HydrophobicContact CB-CD2 4.22Å; V167-L180 HydrophobicContact CG1-CD1 3.84Å; V167-L180 HydrophobicContact CG1-CD2 4.24Å; V167-L180 HydrophobicContact CG2-CD2 4.03Å; V167-Y185 HydrophobicContact CG2-CD1 4.22Å; V167-Y185 HydrophobicContact CG2-CE1 3.75Å; V167-F202 HydrophobicContact CB-CB 4.5Å; V167-F202 PolarHBondContact N-O 2.94Å; V167-F202 PolarHBondContact O-N 2.92Å
168P77.3Confident75.7Confident46 Ų4653.7 Ų53.730%0.29931%0.312SS..EExtended strand (participates in β ladder)trans-72.9124.5171.229.1-31.7000110.2V125 V199 E201V125-P168 VanDerWaalsContact O-CD 3.24Å; V125-P168 WeakPolarHBondContact O-CD 3.43Å; P168-V199 HydrophobicContact CB-CG1 3.95Å; P168-E201 HydrophobicContact CB-CG 4.37Å
169V76.9Confident76.2Confident4 Ų450.4 Ų50.42%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-123.4126.8-178.8-179.40000110.2V167 V171 A173 L176 L180 V199 R200 F202V167-V169 HydrophobicContact CG1-CG2 3.97Å; V167-V169 PolarHBondContact O-N 3.49Å; V169-V171 PolarHBondContact O-N 3.5Å; V169-A173 HydrophobicContact CG1-CB 3.93Å; V169-L176 HydrophobicContact CB-CD2 4.5Å; V169-L176 HydrophobicContact CG1-CB 4.2Å; V169-L176 HydrophobicContact CG1-CD2 4.09Å; V169-L176 HydrophobicContact CG1-CG 4.2Å; V169-L176 HydrophobicContact CG2-CD2 3.74Å; V169-L176 HydrophobicContact CG2-CG 3.95Å; V169-L180 HydrophobicContact CG2-CD1 3.36Å; V169-V199 CarbonylContact O-C 3.6Å; V169-V199 WeakPolarHBondContact O-CA 3.26Å; V169-R200 PolarHBondContact N-O 2.85Å; V169-R200 PolarHBondContact O-N 3.18Å; V169-F202 HydrophobicContact CB-CD2 4.09Å; V169-F202 HydrophobicContact CB-CE2 4.13Å; V169-F202 HydrophobicContact CG2-CD2 3.89Å; V169-F202 HydrophobicContact CG2-CE2 4.3Å
170A72.6Confident76.9Confident12 Ų1247.3 Ų47.310%0.09926%0.264CS..EExtended strand (participates in β ladder)trans-60.4135.517100000110.1V34 A172 A173V34-A170 HydrophobicContact CG2-CB 3.97Å; A170-A172 PolarHBondContact O-N 3.15Å; A170-A173 WeakPolarHBondContact O-CA 3.1Å; A170-A173 VanDerWaalsContact O-CB 3.3Å; A170-A173 WeakPolarHBondContact O-CB 3.43Å; A170-A173 PolarHBondContact O-N 3.41Å
171V68.5Low77.6Confident43 Ų4349.5 Ų49.526%0.26128%0.275SS..THydrogen-bonded Turntrans-58.6-25.2-176.9171.50000112.4V169 A173 M197 L198 R200V169-V171 PolarHBondContact O-N 3.5Å; V171-A173 VanDerWaalsContact C-N 3.28Å; V171-A173 PolarHBondContact O-N 2.98Å; V171-M197 HydrophobicContact CG2-CB 4.06Å; V171-M197 WeakPolarHBondContact CG2-O 3.47Å; V171-L198 PolarHBondContact N-O 3.36Å; V171-R200 HydrophobicContact CG2-CB 4.4Å
172A64.6Low78.5Confident14 Ų1447.7 Ų47.712%0.11627%0.27CS..THydrogen-bonded Turntrans-78.7-2.9174.900000114.9R33 V34 A170 W174R33-A172 HydrophobicContact CB-CB 3.77Å; V34-A172 HydrophobicContact CG2-CB 3.82Å; A170-A172 PolarHBondContact O-N 3.15Å; A172-W174 VanDerWaalsContact O-CD1 3.3Å; A172-W174 PolarHBondContact O-N 3.47Å
173A71.8Confident79.3Confident22 Ų2239.7 Ų39.718%0.18224%0.243CC..  trans-98.651.7179.600000112.3V169 A170 V171 G175 L176 A177V169-A173 HydrophobicContact CG1-CB 3.93Å; A170-A173 WeakPolarHBondContact O-CA 3.1Å; A170-A173 VanDerWaalsContact O-CB 3.3Å; A170-A173 WeakPolarHBondContact O-CB 3.43Å; A170-A173 PolarHBondContact O-N 3.41Å; V171-A173 VanDerWaalsContact C-N 3.28Å; V171-A173 PolarHBondContact O-N 2.98Å; A173-G175 PolarHBondContact O-N 2.95Å; A173-L176 HydrophobicContact CB-CB 4.46Å; A173-L176 PolarHBondContact O-N 3.26Å; A173-A177 PolarHBondContact O-N 3.29Å
174W71.4Confident79.6Confident191 Ų19141.2 Ų41.272%0.72326%0.26SS*.Hα-helixtrans-45.9-40.1-179-56.876.4000114.4A172 L176 A177 G178A172-W174 VanDerWaalsContact O-CD1 3.3Å; A172-W174 PolarHBondContact O-N 3.47Å; W174-L176 VanDerWaalsContact C-N 3.3Å; W174-L176 PolarHBondContact O-N 3.39Å; W174-A177 PolarHBondContact O-N 3.25Å; W174-G178 PolarHBondContact O-N 2.9Å
175G75.2Confident79.7Confident69 Ų6938.5 Ų38.571%0.71125%0.249SC*.Hα-helixtrans-67.2-26.5179.700000114.5A173 L179A173-G175 PolarHBondContact O-N 2.95Å; G175-L179 PolarHBondContact O-N 3.36Å
176L78.4Confident79.8Confident41 Ų4145 Ų4522%0.21528%0.28CS..Hα-helixtrans-82-39173.6179.758.1000110.9L128 V169 A173 W174 G178 L179 L180L128-L176 HydrophobicContact CD2-CD1 3.69Å; V169-L176 HydrophobicContact CB-CD2 4.5Å; V169-L176 HydrophobicContact CG1-CB 4.2Å; V169-L176 HydrophobicContact CG1-CD2 4.09Å; V169-L176 HydrophobicContact CG1-CG 4.2Å; V169-L176 HydrophobicContact CG2-CD2 3.74Å; V169-L176 HydrophobicContact CG2-CG 3.95Å; A173-L176 HydrophobicContact CB-CB 4.46Å; A173-L176 PolarHBondContact O-N 3.26Å; W174-L176 VanDerWaalsContact C-N 3.3Å; W174-L176 PolarHBondContact O-N 3.39Å; L176-G178 PolarHBondContact O-N 3.37Å; L176-L179 HydrophobicContact CD1-CD2 4.17Å; L176-L179 WeakPolarHBondContact O-CB 3.33Å; L176-L179 PolarHBondContact O-N 2.96Å; L176-L180 HydrophobicContact CD1-CD1 4.39Å; L176-L180 HydrophobicContact CD1-CG 4.28Å; L176-L180 HydrophobicContact CG-CD1 4.14Å; L176-L180 HydrophobicContact CG-CG 4.49Å; L176-L180 WeakPolarHBondContact O-CG 3.44Å; L176-L180 PolarHBondContact O-N 3.08Å
177A80.9Confident79.8Confident20 Ų2046.6 Ų46.617%0.16529%0.293CS..Hα-helixtrans-57.6-49.6174.700000111.5A173 W174 L179 L180 E181 F202A173-A177 PolarHBondContact O-N 3.29Å; W174-A177 PolarHBondContact O-N 3.25Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3.14Å; A177-L180 PolarHBondContact O-N 2.92Å; A177-L180 VanDerWaalsContact O-N 3.11Å; A177-E181 WeakPolarHBondContact O-CG 3.47Å; A177-E181 PolarHBondContact O-N 2.79Å; A177-F202 HydrophobicContact CB-CE2 4.11Å; A177-F202 HydrophobicContact CB-CZ 3.85Å
178G81.4Confident79.5Confident36 Ų3651.3 Ų51.337%0.37132%0.315SS..Hα-helixtrans-64.3-30.2176.900000113.8W174 L176 A182W174-G178 PolarHBondContact O-N 2.9Å; L176-G178 PolarHBondContact O-N 3.37Å; G178-A182 VanDerWaalsContact O-CB 3.23Å; G178-A182 WeakPolarHBondContact O-CB 3.46Å; G178-A182 PolarHBondContact O-N 3.33Å
179L85.3Confident79.4Confident48 Ų4850.6 Ų50.625%0.25132%0.316SS..Hα-helixtrans-67.6-41.5172.9176.267.1000111.6R141 L144 G175 L176 A177 C183R141-L179 HydrophobicContact CB-CD1 4.28Å; L144-L179 HydrophobicContact CD1-CD2 3.86Å; L144-L179 HydrophobicContact CD1-CG 3.95Å; G175-L179 PolarHBondContact O-N 3.36Å; L176-L179 HydrophobicContact CD1-CD2 4.17Å; L176-L179 WeakPolarHBondContact O-CB 3.33Å; L176-L179 PolarHBondContact O-N 2.96Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3.14Å; L179-C183 PolarHBondContact O-N 2.86Å; L179-C183 VanDerWaalsContact O-N 3.1Å; L179-C183 PolarHBondContact O-SG 3.4Å
180L85.6Confident79.1Confident0 Ų052 Ų520%033%0.332CS..Hα-helixtrans-69.3-45.4179.9-71.7170000111.3L144 V167 V169 L176 A177 A182 C183 G184 Y185 F202L144-L180 HydrophobicContact CD1-CD2 3.79Å; L144-L180 HydrophobicContact CD2-CD2 3.79Å; L144-L180 HydrophobicContact CG-CD2 4.47Å; V167-L180 HydrophobicContact CB-CD1 4.05Å; V167-L180 HydrophobicContact CB-CD2 4.22Å; V167-L180 HydrophobicContact CG1-CD1 3.84Å; V167-L180 HydrophobicContact CG1-CD2 4.24Å; V167-L180 HydrophobicContact CG2-CD2 4.03Å; V169-L180 HydrophobicContact CG2-CD1 3.36Å; L176-L180 HydrophobicContact CD1-CD1 4.39Å; L176-L180 HydrophobicContact CD1-CG 4.28Å; L176-L180 HydrophobicContact CG-CD1 4.14Å; L176-L180 HydrophobicContact CG-CG 4.49Å; L176-L180 WeakPolarHBondContact O-CG 3.44Å; L176-L180 PolarHBondContact O-N 3.08Å; A177-L180 PolarHBondContact O-N 2.92Å; A177-L180 VanDerWaalsContact O-N 3.11Å; L180-A182 VanDerWaalsContact C-N 3.3Å; L180-A182 PolarHBondContact O-N 2.84Å; L180-C183 CarbonylContact O-C 3.54Å; L180-C183 WeakPolarHBondContact O-CA 3.33Å; L180-C183 PolarHBondContact O-N 3.49Å; L180-G184 PolarHBondContact O-N 2.9Å; L180-G184 VanDerWaalsContact O-N 3.15Å; L180-Y185 HydrophobicContact CB-CD2 4.25Å; L180-Y185 HydrophobicContact CB-CG 4.15Å; L180-Y185 HydrophobicContact CD2-CD1 4.08Å; L180-Y185 HydrophobicContact CD2-CD2 3.83Å; L180-Y185 HydrophobicContact CD2-CE1 4.23Å; L180-Y185 HydrophobicContact CD2-CE2 4Å; L180-Y185 HydrophobicContact CD2-CG 3.9Å; L180-Y185 WeakPolarHBondContact O-CB 3.38Å; L180-Y185 WeakPolarHBondContact O-CD2 3.26Å; L180-Y185 PolarHBondContact O-N 3.41Å; L180-F202 HydrophobicContact CB-CD1 4.25Å; L180-F202 HydrophobicContact CB-CG 4.33Å; L180-F202 HydrophobicContact CD1-CB 3.91Å; L180-F202 HydrophobicContact CD1-CD2 3.86Å; L180-F202 HydrophobicContact CD1-CG 3.87Å
181E86.6Confident78.9Confident105 Ų10558.7 Ų58.749%0.49135%0.354SS..Hα-helixtrans-58.3-44.1174-70.7172-177.100110.7A177 C183 G184 F202A177-E181 WeakPolarHBondContact O-CG 3.47Å; A177-E181 PolarHBondContact O-N 2.79Å; E181-C183 PolarHBondContact O-N 2.84Å; E181-G184 PolarHBondContact O-N 2.81Å; E181-F202 HydrophobicContact CG-CE1 3.87Å
182A85.8Confident78.8Confident84 Ų8459 Ų5969%0.69437%0.367SS*.Hα-helixtrans-65-19.9174.500000114.1G178 L180G178-A182 VanDerWaalsContact O-CB 3.23Å; G178-A182 WeakPolarHBondContact O-CB 3.46Å; G178-A182 PolarHBondContact O-N 3.33Å; L180-A182 VanDerWaalsContact C-N 3.3Å; L180-A182 PolarHBondContact O-N 2.84Å
183C85.5Confident78.6Confident22 Ų2262 Ų6215%0.14939%0.385CS..THydrogen-bonded Turntrans-94.33.7174.3-64.90000113L179 L180 E181 Y185 K204L179-C183 PolarHBondContact O-N 2.86Å; L179-C183 VanDerWaalsContact O-N 3.1Å; L179-C183 PolarHBondContact O-SG 3.4Å; L180-C183 CarbonylContact O-C 3.54Å; L180-C183 WeakPolarHBondContact O-CA 3.33Å; L180-C183 PolarHBondContact O-N 3.49Å; E181-C183 PolarHBondContact O-N 2.84Å; C183-Y185 HydrophobicContact CB-CD2 3.87Å; C183-Y185 HydrophobicContact CB-CE2 3.87Å; C183-K204 PolarHBondContact O-NZ 3.34Å
184G86.4Confident77.9Confident42 Ų4265.7 Ų65.743%0.43340%0.4SS..THydrogen-bonded Turntrans8619176.900000115L180 E181L180-G184 PolarHBondContact O-N 2.9Å; L180-G184 VanDerWaalsContact O-N 3.15Å; E181-G184 PolarHBondContact O-N 2.81Å
185Y87.4Confident77.6Confident4 Ų460.6 Ų60.62%0.01641%0.407CS..  trans-78.6140.1174-70.4-108.9000110.6E148 L165 V167 L180 C183 F202 S203 K204E148-Y185 WeakPolarHBondContact CG-OH 3.29Å; E148-Y185 WeakPolarHBondContact OE1-CE2 3.11Å; E148-Y185 PolarHBondContact OE1-OH 3.4Å; L165-Y185 HydrophobicContact CB-CE1 4.46Å; L165-Y185 HydrophobicContact CD2-CE1 4.44Å; L165-Y185 VanDerWaalsContact CD2-OH 3.24Å; L165-Y185 WeakPolarHBondContact CD2-OH 3.38Å; L165-Y185 HydrophobicContact CG-CE1 4.31Å; V167-Y185 HydrophobicContact CG2-CD1 4.22Å; V167-Y185 HydrophobicContact CG2-CE1 3.75Å; L180-Y185 HydrophobicContact CB-CD2 4.25Å; L180-Y185 HydrophobicContact CB-CG 4.15Å; L180-Y185 HydrophobicContact CD2-CD1 4.08Å; L180-Y185 HydrophobicContact CD2-CD2 3.83Å; L180-Y185 HydrophobicContact CD2-CE1 4.23Å; L180-Y185 HydrophobicContact CD2-CE2 4Å; L180-Y185 HydrophobicContact CD2-CG 3.9Å; L180-Y185 WeakPolarHBondContact O-CB 3.38Å; L180-Y185 WeakPolarHBondContact O-CD2 3.26Å; L180-Y185 PolarHBondContact O-N 3.41Å; C183-Y185 HydrophobicContact CB-CD2 3.87Å; C183-Y185 HydrophobicContact CB-CE2 3.87Å; Y185-F202 HydrophobicContact CD1-CB 4.34Å; Y185-S203 CarbonylContact C-O 3.49Å; Y185-S203 VanDerWaalsContact CA-O 3.28Å; Y185-S203 WeakPolarHBondContact CA-O 3.11Å; Y185-K204 HydrophobicContact CD1-CB 3.55Å; Y185-K204 HydrophobicContact CD2-CB 4.25Å; Y185-K204 HydrophobicContact CD2-CD 3.87Å; Y185-K204 HydrophobicContact CE1-CB 3.59Å; Y185-K204 HydrophobicContact CE1-CD 4.39Å; Y185-K204 HydrophobicContact CE2-CB 4.27Å; Y185-K204 HydrophobicContact CE2-CD 3.62Å; Y185-K204 HydrophobicContact CG-CB 3.88Å; Y185-K204 HydrophobicContact CG-CD 4.33Å
186Q86.3Confident77.1Confident137 Ų13760.7 Ų60.764%0.6439%0.387SS*.EExtended strand (participates in β ladder)trans-102.1144.3176.2-64.5-63-24.800110.1E188 F202 S203Q186-E188 PolarHBondContact O-N 2.92Å; Q186-F202 CarbonylContact O-C 3.57Å; Q186-F202 VanDerWaalsContact O-CA 3.27Å; Q186-F202 WeakPolarHBondContact O-CA 3.17Å; Q186-S203 PolarHBondContact N-O 3.14Å; Q186-S203 PolarHBondContact O-N 3.33Å
187A83.6Confident76.6Confident35 Ų3562.9 Ų62.929%0.28940%0.396SS..EExtended strand (participates in β ladder)trans-85.9108.5174.800000110R200 F202A187-R200 HydrophobicContact CB-CG 4.28Å; A187-R200 VanDerWaalsContact CB-CZ 3.47Å; A187-R200 VanDerWaalsContact CB-NE 3.27Å; A187-F202 HydrophobicContact CB-CD1 4.25Å; A187-F202 HydrophobicContact CB-CE1 4.04Å; A187-F202 HydrophobicContact CB-CZ 4.49Å
188E78.2Confident76Confident102 Ų10264.3 Ų64.348%0.47740%0.401SS..EExtended strand (participates in β ladder)trans-94.8-16.4-176.7-82.9178.1172.300114.1R164 Q186 E201 S203R164-E188 IonicContact CZ-OE1 2.64Å; R164-E188 IonicContact CZ-OE2 3.14Å; R164-E188 IonicContact NE-OE1 3.16Å; R164-E188 IonicContact NE-OE2 2.96Å; R164-E188 IonicContact NH2-OE1 2.72Å; R164-E188 PolarHBondContact NH2-OE1 2.94Å; R164-E188 VanDerWaalsContact NH2-OE1 3.11Å; R164-E188 IonicContact NH2-OE2 3.85Å; R164-E188 PolarHBondContact NH2-OE2 2.86Å; Q186-E188 PolarHBondContact O-N 2.92Å; E188-E201 PolarHBondContact N-O 3.44Å; E188-S203 VanDerWaalsContact CG-OG 3.31Å; E188-S203 WeakPolarHBondContact CG-OG 3.44Å; E188-S203 WeakPolarHBondContact OE1-CB 3.5Å; E188-S203 PolarHBondContact OE1-OG 3.14Å; E188-S203 WeakPolarHBondContact OE2-CB 3.46Å; E188-S203 PolarHBondContact OE2-OG 3.34Å; E188-S203 VanDerWaalsContact OE2-OG 3.05Å
189G74.3Confident75.6Confident32 Ų3263.9 Ų63.933%0.3339%0.391SS..EExtended strand (participates in β ladder)trans171.8-162-177.600000112.5E201G189-E201 PolarHBondContact O-N 3.48Å
190G71.4Confident75.4Confident34 Ų3466.1 Ų66.135%0.35140%0.396SS..EExtended strand (participates in β ladder)trans175.8169179.300000112.9V199G190-V199 CarbonylContact C-O 3.5Å; G190-V199 WeakPolarHBondContact CA-O 3.33Å
191W68.9Low75.3Confident151 Ų15167.7 Ų67.757%0.57240%0.404SS*.EExtended strand (participates in β ladder)trans-103.7129.5177.3-57.184.2000108.5L198 V199 E201W191-L198 PolarHBondContact O-N 3.16Å; W191-V199 HydrophobicContact CB-CB 4.44Å; W191-V199 PolarHBondContact N-O 3.42Å; W191-V199 PolarHBondContact O-N 3.16Å; W191-E201 PolarHBondContact NE1-OE1 2.94Å
192G64.8Low75.2Confident51 Ų5162.8 Ų62.853%0.52638%0.381SS..EExtended strand (participates in β ladder)trans-130.3161.7178.500000113Y196G192-Y196 CarbonylContact C-O 3.35Å; G192-Y196 WeakPolarHBondContact CA-O 3.27Å
193C61.2Low75.2Confident75 Ų7559 Ų5951%0.50735%0.349SS..EExtended strand (participates in β ladder)trans-125.7139170.3-171.40000108G195 Y196 L198C193-G195 PolarHBondContact O-N 3.4Å; C193-Y196 PolarHBondContact N-O 3.41Å; C193-Y196 PolarHBondContact O-N 3.02Å; C193-L198 HydrophobicContact CB-CD1 3.83Å
194M58Low75.3Confident100 Ų10060.2 Ų60.249%0.49335%0.352SS..THydrogen-bonded Turntrans53.635.8178.7-54.5-176.475.700114.4P43 L47 Y196P43-M194 HydrophobicContact CB-CE 4.01Å; L47-M194 HydrophobicContact CD1-CE 3.23Å; L47-M194 HydrophobicContact CD1-SD 3.69Å; L47-M194 HydrophobicContact CG-CE 3.9Å; M194-Y196 VanDerWaalsContact C-N 3.34Å; M194-Y196 VanDerWaalsContact O-CD2 3.26Å; M194-Y196 WeakPolarHBondContact O-CD2 3.34Å; M194-Y196 WeakPolarHBondContact O-CE2 3.46Å; M194-Y196 PolarHBondContact O-N 3.08Å
195G63.5Low75.2Confident84 Ų8463 Ų6387%0.86636%0.357SS*.THydrogen-bonded Turntrans81.63.1-178.800000115.6C193C193-G195 PolarHBondContact O-N 3.4Å
196Y64.7Low75Confident72 Ų7265.8 Ų65.828%0.28237%0.372SS..EExtended strand (participates in β ladder)trans-110.8130.3176.4-61.7-86.5000111.8R41 P43 G192 C193 M194 L198R41-Y196 HydrophobicContact CB-CE2 4.5Å; R41-Y196 HydrophobicContact CG-CD1 4.36Å; R41-Y196 HydrophobicContact CG-CE1 4.4Å; R41-Y196 HydrophobicContact CG-CG 4.46Å; P43-Y196 WeakPolarHBondContact CD-OH 3.49Å; P43-Y196 HydrophobicContact CG-CD2 4.42Å; P43-Y196 HydrophobicContact CG-CE2 3.39Å; G192-Y196 CarbonylContact C-O 3.35Å; G192-Y196 WeakPolarHBondContact CA-O 3.27Å; C193-Y196 PolarHBondContact N-O 3.41Å; C193-Y196 PolarHBondContact O-N 3.02Å; M194-Y196 VanDerWaalsContact C-N 3.34Å; M194-Y196 VanDerWaalsContact O-CD2 3.26Å; M194-Y196 WeakPolarHBondContact O-CD2 3.34Å; M194-Y196 WeakPolarHBondContact O-CE2 3.46Å; M194-Y196 PolarHBondContact O-N 3.08Å; Y196-L198 PolarHBondContact O-N 3.45Å
197M69.6Low74.4Confident86 Ų8662.3 Ų62.342%0.42436%0.358SS..EExtended strand (participates in β ladder)trans-66.3127.6169.5-81-150.4-76.100111.3V171 R200V171-M197 HydrophobicContact CG2-CB 4.06Å; V171-M197 WeakPolarHBondContact CG2-O 3.47Å; M197-R200 HydrophobicContact CE-CG 4.18Å; M197-R200 HydrophobicContact SD-CG 4.23Å
198L66.9Low74Confident50 Ų5063.7 Ų63.726%0.26236%0.362SS..EExtended strand (participates in β ladder)trans-104.7-33.7173.2-68.2171.4000111.2V34 A38 V171 W191 C193 Y196V34-L198 HydrophobicContact CG1-CD2 4.19Å; A38-L198 HydrophobicContact CB-CD2 4.3Å; V171-L198 PolarHBondContact N-O 3.36Å; W191-L198 PolarHBondContact O-N 3.16Å; C193-L198 HydrophobicContact CB-CD1 3.83Å; Y196-L198 PolarHBondContact O-N 3.45Å
199V73.8Confident73.7Confident27 Ų2761.6 Ų61.616%0.16436%0.356CS..EExtended strand (participates in β ladder)trans-130.3134.3176.3179.20000108P168 V169 G190 W191P168-V199 HydrophobicContact CB-CG1 3.95Å; V169-V199 CarbonylContact O-C 3.6Å; V169-V199 WeakPolarHBondContact O-CA 3.26Å; G190-V199 CarbonylContact C-O 3.5Å; G190-V199 WeakPolarHBondContact CA-O 3.33Å; W191-V199 HydrophobicContact CB-CB 4.44Å; W191-V199 PolarHBondContact N-O 3.42Å; W191-V199 PolarHBondContact O-N 3.16Å
200R80.9Confident73.7Confident95 Ų9563.3 Ų63.336%0.35836%0.357SS..EExtended strand (participates in β ladder)trans-110.9130.2174.3-161.1172.6-170.6-167.3-3.7108.5V169 V171 A187 M197 F202V169-R200 PolarHBondContact N-O 2.85Å; V169-R200 PolarHBondContact O-N 3.18Å; V171-R200 HydrophobicContact CG2-CB 4.4Å; A187-R200 HydrophobicContact CB-CG 4.28Å; A187-R200 VanDerWaalsContact CB-CZ 3.47Å; A187-R200 VanDerWaalsContact CB-NE 3.27Å; M197-R200 HydrophobicContact CE-CG 4.18Å; M197-R200 HydrophobicContact SD-CG 4.23Å; R200-F202 HydrophobicContact CB-CE2 4.1Å; R200-F202 HydrophobicContact CG-CE2 4.13Å; R200-F202 HydrophobicContact CG-CZ 4.5Å
201E84.3Confident73.8Confident34 Ų3465.1 Ų65.116%0.15936%0.358CS..EExtended strand (participates in β ladder)trans-93124.8176.7-66.7-173.1158.700108.9R124 V166 P168 E188 G189 W191R124-E201 IonicContact NH1-OE1 3.89Å; R124-E201 PolarHBondContact NH1-OE1 3.39Å; R124-E201 VanDerWaalsContact NH1-OE1 3.14Å; V166-E201 HydrophobicContact CG1-CB 4.4Å; P168-E201 HydrophobicContact CB-CG 4.37Å; E188-E201 PolarHBondContact N-O 3.44Å; G189-E201 PolarHBondContact O-N 3.48Å; W191-E201 PolarHBondContact NE1-OE1 2.94Å
202F84.3Confident74.2Confident2 Ų259.4 Ų59.41%0.00934%0.343CS..EExtended strand (participates in β ladder)trans-106.2127.1174.8-75.4-91.6000108.8V166 V167 V169 A177 L180 E181 Y185 Q186 A187 R200V166-F202 CarbonylContact C-O 3.52Å; V166-F202 WeakPolarHBondContact CA-O 3.49Å; V167-F202 HydrophobicContact CB-CB 4.5Å; V167-F202 PolarHBondContact N-O 2.94Å; V167-F202 PolarHBondContact O-N 2.92Å; V169-F202 HydrophobicContact CB-CD2 4.09Å; V169-F202 HydrophobicContact CB-CE2 4.13Å; V169-F202 HydrophobicContact CG2-CD2 3.89Å; V169-F202 HydrophobicContact CG2-CE2 4.3Å; A177-F202 HydrophobicContact CB-CE2 4.11Å; A177-F202 HydrophobicContact CB-CZ 3.85Å; L180-F202 HydrophobicContact CB-CD1 4.25Å; L180-F202 HydrophobicContact CB-CG 4.33Å; L180-F202 HydrophobicContact CD1-CB 3.91Å; L180-F202 HydrophobicContact CD1-CD2 3.86Å; L180-F202 HydrophobicContact CD1-CG 3.87Å; E181-F202 HydrophobicContact CG-CE1 3.87Å; Y185-F202 HydrophobicContact CD1-CB 4.34Å; Q186-F202 CarbonylContact O-C 3.57Å; Q186-F202 VanDerWaalsContact O-CA 3.27Å; Q186-F202 WeakPolarHBondContact O-CA 3.17Å; A187-F202 HydrophobicContact CB-CD1 4.25Å; A187-F202 HydrophobicContact CB-CE1 4.04Å; A187-F202 HydrophobicContact CB-CZ 4.49Å; R200-F202 HydrophobicContact CB-CE2 4.1Å; R200-F202 HydrophobicContact CG-CE2 4.13Å; R200-F202 HydrophobicContact CG-CZ 4.5Å
203S85.3Confident74.8Confident4 Ų460 Ų603%0.02833%0.33CS..EExtended strand (participates in β ladder)trans-115.1158.8176.177.50000111L165 Y185 Q186 E188L165-S203 CarbonylContact O-C 3.44Å; L165-S203 WeakPolarHBondContact O-CA 2.83Å; Y185-S203 CarbonylContact C-O 3.49Å; Y185-S203 VanDerWaalsContact CA-O 3.28Å; Y185-S203 WeakPolarHBondContact CA-O 3.11Å; Q186-S203 PolarHBondContact N-O 3.14Å; Q186-S203 PolarHBondContact O-N 3.33Å; E188-S203 VanDerWaalsContact CG-OG 3.31Å; E188-S203 WeakPolarHBondContact CG-OG 3.44Å; E188-S203 WeakPolarHBondContact OE1-CB 3.5Å; E188-S203 PolarHBondContact OE1-OG 3.14Å; E188-S203 WeakPolarHBondContact OE2-CB 3.46Å; E188-S203 PolarHBondContact OE2-OG 3.34Å; E188-S203 VanDerWaalsContact OE2-OG 3.05Å
204K88.1Confident75.9Confident47 Ų4758.8 Ų58.820%0.20432%0.317CS..EExtended strand (participates in β ladder)trans-148.2130.2168.1-177.4175.5171-173.30109.3E148 R164 L165 C183 Y185 L206E148-K204 IonicContact OE1-NZ 3.11Å; E148-K204 PolarHBondContact OE1-NZ 3.4Å; E148-K204 IonicContact OE2-NZ 3.81Å; E148-K204 PolarHBondContact OE2-NZ 3.48Å; R164-K204 WeakPolarHBondContact CA-O 3.37Å; L165-K204 PolarHBondContact N-O 3.1Å; L165-K204 PolarHBondContact O-N 3.01Å; C183-K204 PolarHBondContact O-NZ 3.34Å; Y185-K204 HydrophobicContact CD1-CB 3.55Å; Y185-K204 HydrophobicContact CD2-CB 4.25Å; Y185-K204 HydrophobicContact CD2-CD 3.87Å; Y185-K204 HydrophobicContact CE1-CB 3.59Å; Y185-K204 HydrophobicContact CE1-CD 4.39Å; Y185-K204 HydrophobicContact CE2-CB 4.27Å; Y185-K204 HydrophobicContact CE2-CD 3.62Å; Y185-K204 HydrophobicContact CG-CB 3.88Å; Y185-K204 HydrophobicContact CG-CD 4.33Å; K204-L206 HydrophobicContact CD-CD2 4.04Å; K204-L206 HydrophobicContact CG-CD2 4.01Å
205D84.6Confident77.4Confident102 Ų10255.4 Ų55.455%0.54530%0.302SS..EExtended strand (participates in β ladder)trans-79.6134.6167.5-63.8-29.5000108.9
206L82.6Confident78.6Confident62 Ų6252.8 Ų52.833%0.32525%0.251SS..  trans-117.20-164.9-63.6179.6000115.4E148 A151 R152 A163 L165 K204E148-L206 HydrophobicContact CB-CD1 4.03Å; E148-L206 HydrophobicContact CB-CD2 3.89Å; E148-L206 HydrophobicContact CG-CD1 4.22Å; E148-L206 HydrophobicContact CG-CD2 3.55Å; A151-L206 HydrophobicContact CB-CD1 3.59Å; R152-L206 HydrophobicContact CG-CB 3.9Å; R152-L206 HydrophobicContact CG-CD1 4.34Å; R152-L206 PolarHBondContact NE-OXT 2.89Å; A163-L206 HydrophobicContact CB-CB 3.8Å; A163-L206 HydrophobicContact CB-CD1 4.39Å; A163-L206 WeakPolarHBondContact O-CB 3.27Å; A163-L206 PolarHBondContact O-N 3.4Å; L165-L206 HydrophobicContact CB-CD1 3.87Å; L165-L206 HydrophobicContact CB-CG 4.42Å; K204-L206 HydrophobicContact CD-CD2 4.04Å; K204-L206 HydrophobicContact CG-CD2 4.01Å

Retrieved 206 of 206 residues in 37.6 ms (Link to these results)

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