A0A3Q0KR94_SCHMA Loading...

DNA primase

AlphaFold DB , UniProt , Accession A0A3Q0KR94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 448 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
1M41.2Very low78Confident240 Ų24089.6 Ų89.6100%1.18245%0.453SS*.  099.20-134.1-178.3-7400104.7S3M1-S3 PolarHBondContact O-N 3.45Å
2E48.5Very low79.4Confident181 Ų18185.3 Ų85.385%0.84644%0.435SS*.  trans-53.6132.4170.8-78.1171.9158.300107.4T4E2-T4 PolarHBondContact O-N 2.93Å
3S60.5Low80.7Confident86 Ų8678.8 Ų78.860%0.60140%0.401SS*.  trans-61.4113.6-17954.20000107.7M1 F5M1-S3 PolarHBondContact O-N 3.45Å; S3-F5 WeakPolarHBondContact CB-O 3.27Å; S3-F5 PolarHBondContact O-N 3.15Å; S3-F5 PolarHBondContact OG-O 3.19Å
4T67Low81.8Confident64 Ų6473.1 Ų73.139%0.39337%0.373SS..SBendtrans-60.8-1.2176.455.10000113.3E2E2-T4 PolarHBondContact O-N 2.93Å
5F80.9Confident82.6Confident37 Ų3777.2 Ų77.216%0.16238%0.382CS..  trans-135.8118.6179.7-169.7-85.9000109.4S3 L10 I72 V342 P344 L369S3-F5 WeakPolarHBondContact CB-O 3.27Å; S3-F5 PolarHBondContact O-N 3.15Å; S3-F5 PolarHBondContact OG-O 3.19Å; F5-L10 HydrophobicContact CE1-CD2 4.42Å; F5-L10 HydrophobicContact CE2-CD1 4.33Å; F5-L10 HydrophobicContact CE2-CD2 4.45Å; F5-L10 HydrophobicContact CZ-CD1 4.44Å; F5-L10 HydrophobicContact CZ-CD2 3.76Å; F5-I72 HydrophobicContact CE1-CB 4.25Å; F5-I72 HydrophobicContact CE1-CG2 3.62Å; F5-I72 HydrophobicContact CZ-CB 3.89Å; F5-I72 HydrophobicContact CZ-CG2 3.68Å; F5-V342 HydrophobicContact CD2-CG1 3.74Å; F5-V342 HydrophobicContact CE2-CB 4Å; F5-V342 HydrophobicContact CE2-CG1 3.65Å; F5-P344 HydrophobicContact CE2-CB 4.27Å; F5-P344 HydrophobicContact CZ-CB 4.26Å; F5-L369 HydrophobicContact CD2-CD2 4.07Å; F5-L369 HydrophobicContact CE2-CD2 4.44Å
6S88Confident83.3Confident35 Ų3577.4 Ų77.425%0.24538%0.377CS..  trans-136.4154.3169.483.10000110.1E8 L9 L10S6-E8 PolarHBondContact O-N 3.48Å; S6-L9 PolarHBondContact O-N 2.91Å; S6-L9 VanDerWaalsContact OG-CG 3.31Å; S6-L9 WeakPolarHBondContact OG-CG 3.41Å; S6-L9 PolarHBondContact OG-N 3.32Å; S6-L10 WeakPolarHBondContact O-CB 3.29Å; S6-L10 PolarHBondContact O-N 3.34Å
7E91.9Very high84Confident96 Ų9673 Ų7345%0.44936%0.355SS..Hα-helixtrans-62-32.4177.6-167-175.2118.800111.8L10 R11 C70E7-L10 PolarHBondContact O-N 3.43Å; E7-R11 WeakPolarHBondContact O-CB 3.22Å; E7-R11 PolarHBondContact O-N 3.39Å; E7-R11 IonicContact OE1-CZ 3.17Å; E7-R11 IonicContact OE1-NH1 3.87Å; E7-R11 IonicContact OE1-NH2 2.83Å; E7-R11 PolarHBondContact OE1-NH2 3.17Å; E7-C70 HydrophobicContact CG-CB 3.63Å
8E93.4Very high84.7Confident145 Ų14569 Ų6968%0.67834%0.336SS*.Hα-helixtrans-65.6-50.3176.7-177.4172.9-167.700111.9S6 L10 R11 V12S6-E8 PolarHBondContact O-N 3.48Å; E8-L10 VanDerWaalsContact C-N 3.27Å; E8-L10 PolarHBondContact O-N 2.72Å; E8-R11 WeakPolarHBondContact O-CB 3.38Å; E8-R11 PolarHBondContact O-N 3.19Å; E8-V12 PolarHBondContact O-N 3.28Å
9L94.7Very high85.3Confident31 Ų3165.9 Ų65.916%0.16232%0.322CS..Hα-helixtrans-60.2-42176-65.5177.1000110.7S6 R11 V12 Y13 L369 N370 V373S6-L9 PolarHBondContact O-N 2.91Å; S6-L9 VanDerWaalsContact OG-CG 3.31Å; S6-L9 WeakPolarHBondContact OG-CG 3.41Å; S6-L9 PolarHBondContact OG-N 3.32Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.23Å; L9-V12 PolarHBondContact O-N 2.88Å; L9-Y13 WeakPolarHBondContact O-CB 3.38Å; L9-Y13 PolarHBondContact O-N 3.35Å; L9-L369 HydrophobicContact CB-CD1 4.36Å; L9-L369 HydrophobicContact CB-CD2 3.75Å; L9-L369 HydrophobicContact CB-CG 3.88Å; L9-N370 HydrophobicContact CD1-CB 4.4Å; L9-V373 HydrophobicContact CB-CG2 4.35Å; L9-V373 HydrophobicContact CD2-CB 3.9Å; L9-V373 HydrophobicContact CD2-CG1 3.64Å; L9-V373 HydrophobicContact CD2-CG2 4.07Å
10L95.6Very high85.8Confident1 Ų162.7 Ų62.71%0.00531%0.306CS..Hα-helixtrans-63.4-39.2178.8-171.164.7000112F5 S6 E7 E8 Y13 Y14 C70 V342 L369F5-L10 HydrophobicContact CE1-CD2 4.42Å; F5-L10 HydrophobicContact CE2-CD1 4.33Å; F5-L10 HydrophobicContact CE2-CD2 4.45Å; F5-L10 HydrophobicContact CZ-CD1 4.44Å; F5-L10 HydrophobicContact CZ-CD2 3.76Å; S6-L10 WeakPolarHBondContact O-CB 3.29Å; S6-L10 PolarHBondContact O-N 3.34Å; E7-L10 PolarHBondContact O-N 3.43Å; E8-L10 VanDerWaalsContact C-N 3.27Å; E8-L10 PolarHBondContact O-N 2.72Å; L10-Y13 HydrophobicContact CD1-CD1 4.37Å; L10-Y13 PolarHBondContact O-N 3.19Å; L10-Y14 HydrophobicContact CD1-CD2 4.16Å; L10-Y14 HydrophobicContact CD1-CE1 4.38Å; L10-Y14 HydrophobicContact CD1-CE2 3.51Å; L10-Y14 HydrophobicContact CD2-CE2 3.73Å; L10-Y14 HydrophobicContact CG-CD2 3.79Å; L10-Y14 HydrophobicContact CG-CE2 3.33Å; L10-Y14 WeakPolarHBondContact O-CD2 3.3Å; L10-Y14 PolarHBondContact O-N 2.7Å; L10-C70 HydrophobicContact CD2-CB 4.15Å; L10-C70 WeakPolarHBondContact CD2-O 3.42Å; L10-V342 HydrophobicContact CD1-CB 4.15Å; L10-V342 HydrophobicContact CD1-CG2 3.61Å; L10-L369 HydrophobicContact CB-CD2 4.3Å; L10-L369 HydrophobicContact CD1-CD2 4.47Å
11R95.9Very high86.2Confident70 Ų7062.4 Ų62.426%0.26431%0.306SS..Hα-helixtrans-62.6-42.9174.3-172.5174.6-71.2107.7-0111.7E7 E8 L9 R15 V67E7-R11 WeakPolarHBondContact O-CB 3.22Å; E7-R11 PolarHBondContact O-N 3.39Å; E7-R11 IonicContact OE1-CZ 3.17Å; E7-R11 IonicContact OE1-NH1 3.87Å; E7-R11 IonicContact OE1-NH2 2.83Å; E7-R11 PolarHBondContact OE1-NH2 3.17Å; E8-R11 WeakPolarHBondContact O-CB 3.38Å; E8-R11 PolarHBondContact O-N 3.19Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.23Å; R11-R15 WeakPolarHBondContact O-CB 3.32Å; R11-R15 PolarHBondContact O-N 3Å; R11-V67 HydrophobicContact CG-CG1 4.06Å
12V94.9Very high88.8Confident38 Ų3852.1 Ų52.123%0.2326%0.256CS..Hα-helixtrans-62-46.2174.3176.30000110.2E8 L9 R15 R16 V373 L376E8-V12 PolarHBondContact O-N 3.28Å; L9-V12 PolarHBondContact O-N 2.88Å; V12-R15 PolarHBondContact O-N 2.8Å; V12-R16 WeakPolarHBondContact O-CB 3.24Å; V12-R16 PolarHBondContact O-N 2.96Å; V12-V373 HydrophobicContact CB-CG2 4.3Å; V12-V373 HydrophobicContact CG1-CG1 4.22Å; V12-V373 HydrophobicContact CG1-CG2 4.17Å; V12-L376 HydrophobicContact CG1-CD1 4.3Å
13Y96Very high91Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-59.9-50.3178.3174.6-106000112.9L9 L10 R15 R16 L17 F18 F340 V342 I349 L369 L372 L408L9-Y13 WeakPolarHBondContact O-CB 3.38Å; L9-Y13 PolarHBondContact O-N 3.35Å; L10-Y13 HydrophobicContact CD1-CD1 4.37Å; L10-Y13 PolarHBondContact O-N 3.19Å; Y13-R15 VanDerWaalsContact C-N 3.27Å; Y13-R15 PolarHBondContact O-N 2.95Å; Y13-R16 PolarHBondContact O-N 3.44Å; Y13-L17 HydrophobicContact CD2-CB 3.61Å; Y13-L17 HydrophobicContact CD2-CD1 3.91Å; Y13-L17 HydrophobicContact CD2-CG 4.36Å; Y13-L17 HydrophobicContact CE2-CB 3.76Å; Y13-L17 HydrophobicContact CE2-CD1 4.44Å; Y13-L17 WeakPolarHBondContact O-CA 3.46Å; Y13-L17 PolarHBondContact O-N 3.38Å; Y13-F18 HydrophobicContact CD1-CB 4.43Å; Y13-F18 HydrophobicContact CE1-CB 4.08Å; Y13-F18 AromaticContact CE1-CD2 3.67Å; Y13-F18 HydrophobicContact CE1-CD2 3.67Å; Y13-F18 HydrophobicContact CE1-CG 4.37Å; Y13-F18 PolarHBondContact O-N 3.07Å; Y13-F340 WeakPolarHBondContact CE1-O 3.19Å; Y13-F340 PolarHBondContact OH-O 3.41Å; Y13-V342 HydrophobicContact CD1-CG2 3.71Å; Y13-V342 HydrophobicContact CE1-CG2 3.63Å; Y13-V342 HydrophobicContact CG-CG2 4.45Å; Y13-I349 HydrophobicContact CE1-CD1 4.42Å; Y13-I349 HydrophobicContact CE2-CD1 3.96Å; Y13-L369 HydrophobicContact CD1-CD1 4.41Å; Y13-L369 HydrophobicContact CD2-CD1 4.27Å; Y13-L369 HydrophobicContact CG-CD1 3.8Å; Y13-L372 HydrophobicContact CD2-CD1 4.44Å; Y13-L372 HydrophobicContact CE2-CD1 4.13Å; Y13-L408 HydrophobicContact CE2-CD2 4.15Å
14Y96.5Very high92.6Very high0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-64.6-33176.5-70.2-41.5000112.8L10 F18 R63 L66 P71 I74L10-Y14 HydrophobicContact CD1-CD2 4.16Å; L10-Y14 HydrophobicContact CD1-CE1 4.38Å; L10-Y14 HydrophobicContact CD1-CE2 3.51Å; L10-Y14 HydrophobicContact CD2-CE2 3.73Å; L10-Y14 HydrophobicContact CG-CD2 3.79Å; L10-Y14 HydrophobicContact CG-CE2 3.33Å; L10-Y14 WeakPolarHBondContact O-CD2 3.3Å; L10-Y14 PolarHBondContact O-N 2.7Å; Y14-F18 HydrophobicContact CD1-CB 3.84Å; Y14-F18 AromaticContact CD1-CD2 3.96Å; Y14-F18 HydrophobicContact CD1-CD2 3.96Å; Y14-F18 AromaticContact CD1-CG 3.89Å; Y14-F18 HydrophobicContact CD1-CG 3.89Å; Y14-F18 AromaticContact CE1-CD2 3.85Å; Y14-F18 HydrophobicContact CE1-CD2 3.85Å; Y14-F18 HydrophobicContact CE1-CE2 4.27Å; Y14-F18 HydrophobicContact CE1-CG 4.24Å; Y14-R63 PolarHBondContact O-NH1 2.94Å; Y14-L66 HydrophobicContact CD1-CB 4.28Å; Y14-L66 HydrophobicContact CD1-CD1 4.22Å; Y14-L66 HydrophobicContact CD2-CB 4.25Å; Y14-L66 WeakPolarHBondContact CD2-O 3.36Å; Y14-L66 HydrophobicContact CG-CB 3.99Å; Y14-P71 HydrophobicContact CE2-CG 4.12Å; Y14-P71 PolarHBondContact OH-O 2.76Å; Y14-I74 HydrophobicContact CE1-CD1 3.79Å; Y14-I74 WeakPolarHBondContact OH-CD1 3.41Å
15R94.7Very high93.9Very high134 Ų13441.2 Ų41.251%0.50619%0.192SC..Hα-helixtrans-71.7-42.8177-173.5179.3-62.5158.81112.1R11 V12 Y13 V67 H399R11-R15 WeakPolarHBondContact O-CB 3.32Å; R11-R15 PolarHBondContact O-N 3Å; V12-R15 PolarHBondContact O-N 2.8Å; Y13-R15 VanDerWaalsContact C-N 3.27Å; Y13-R15 PolarHBondContact O-N 2.95Å; R15-V67 HydrophobicContact CB-CG2 3.96Å; R15-H399 PolarHBondContact O-CD2 3.4Å; R15-H399 PolarHBondContact O-NE2 3.1Å
16R93.4Very high94.7Very high81 Ų8139.4 Ų39.431%0.30619%0.185SC..Hα-helixtrans-111.6-28.9-165.5-65.1-17170.7-174.22115.9V12 Y13 L376 H399 S402V12-R16 WeakPolarHBondContact O-CB 3.24Å; V12-R16 PolarHBondContact O-N 2.96Å; Y13-R16 PolarHBondContact O-N 3.44Å; R16-L376 HydrophobicContact CB-CD1 3.85Å; R16-H399 WeakPolarHBondContact CA-CD2 3.49Å; R16-H399 VanDerWaalsContact CA-NE2 3.3Å; R16-H399 WeakPolarHBondContact CA-NE2 3.22Å; R16-H399 PolarHBondContact O-CD2 3.32Å; R16-H399 VanDerWaalsContact O-CD2 3.25Å; R16-H399 PolarHBondContact O-CE1 3.35Å; R16-H399 PolarHBondContact O-NE2 3.29Å; R16-S402 PolarHBondContact O-OG 2.87Å
17L95.5Very high95.1Very high2 Ų238 Ų381%0.0117%0.174CC..THydrogen-bonded Turntrans-119.6-36.4-170-66.3174.7000114.2Y13 L372 L376 F403 T406 L408Y13-L17 HydrophobicContact CD2-CB 3.61Å; Y13-L17 HydrophobicContact CD2-CD1 3.91Å; Y13-L17 HydrophobicContact CD2-CG 4.36Å; Y13-L17 HydrophobicContact CE2-CB 3.76Å; Y13-L17 HydrophobicContact CE2-CD1 4.44Å; Y13-L17 WeakPolarHBondContact O-CA 3.46Å; Y13-L17 PolarHBondContact O-N 3.38Å; L17-L372 HydrophobicContact CD1-CB 3.74Å; L17-L372 HydrophobicContact CD1-CD1 4.39Å; L17-L376 HydrophobicContact CD1-CD1 3.58Å; L17-L376 HydrophobicContact CD1-CG 4.05Å; L17-L376 HydrophobicContact CD2-CD1 3.95Å; L17-L376 HydrophobicContact CD2-CD2 3.91Å; L17-L376 HydrophobicContact CD2-CG 4.08Å; L17-L376 HydrophobicContact CG-CD1 3.62Å; L17-L376 HydrophobicContact CG-CG 4.24Å; L17-F403 HydrophobicContact CD2-CB 4.03Å; L17-T406 HydrophobicContact CD2-CG2 3.99Å; L17-L408 HydrophobicContact CB-CD2 4.37Å
18F96.6Very high95.2Very high1 Ų134.7 Ų34.70%0.00416%0.161CC..  trans-60.8125.8-174.9-170.5-87000111Y13 Y14 C20 L23 R63 L66 I74 F340Y13-F18 HydrophobicContact CD1-CB 4.43Å; Y13-F18 HydrophobicContact CE1-CB 4.08Å; Y13-F18 AromaticContact CE1-CD2 3.67Å; Y13-F18 HydrophobicContact CE1-CD2 3.67Å; Y13-F18 HydrophobicContact CE1-CG 4.37Å; Y13-F18 PolarHBondContact O-N 3.07Å; Y14-F18 HydrophobicContact CD1-CB 3.84Å; Y14-F18 AromaticContact CD1-CD2 3.96Å; Y14-F18 HydrophobicContact CD1-CD2 3.96Å; Y14-F18 AromaticContact CD1-CG 3.89Å; Y14-F18 HydrophobicContact CD1-CG 3.89Å; Y14-F18 AromaticContact CE1-CD2 3.85Å; Y14-F18 HydrophobicContact CE1-CD2 3.85Å; Y14-F18 HydrophobicContact CE1-CE2 4.27Å; Y14-F18 HydrophobicContact CE1-CG 4.24Å; F18-C20 VanDerWaalsContact C-N 3.29Å; F18-C20 VanDerWaalsContact CD1-SG 3.53Å; F18-C20 PolarHBondContact O-N 2.96Å; F18-L23 HydrophobicContact CE1-CD2 3.9Å; F18-L23 HydrophobicContact CZ-CD2 3.99Å; F18-R63 PolarHBondContact O-NH1 3.37Å; F18-R63 PolarHBondContact O-NH2 3.44Å; F18-L66 HydrophobicContact CD1-CD1 3.93Å; F18-L66 HydrophobicContact CE1-CD1 3.85Å; F18-L66 HydrophobicContact CZ-CD1 4.46Å; F18-I74 HydrophobicContact CE2-CD1 4.2Å; F18-I74 HydrophobicContact CZ-CD1 4.19Å; F18-F340 HydrophobicContact CD2-CB 4.03Å; F18-F340 WeakPolarHBondContact CD2-O 3.48Å; F18-F340 HydrophobicContact CE2-CB 3.83Å; F18-F340 WeakPolarHBondContact CE2-O 3.27Å
19P95.8Very high95.2Very high11 Ų1127.9 Ų27.97%0.07113%0.129CC..  trans-85.759.6-16735.2-37.9000112.6N21 L22 L23 F340P19-N21 PolarHBondContact O-N 3.18Å; P19-N21 VanDerWaalsContact O-N 3.1Å; P19-L22 HydrophobicContact CB-CB 4.25Å; P19-L22 HydrophobicContact CB-CD1 4.2Å; P19-L22 PolarHBondContact O-N 3.24Å; P19-L22 VanDerWaalsContact O-N 3.09Å; P19-L23 PolarHBondContact O-N 3.23Å; P19-F340 HydrophobicContact CG-CB 4.27Å; P19-F340 HydrophobicContact CG-CD1 4.14Å; P19-F340 HydrophobicContact CG-CD2 3.59Å; P19-F340 HydrophobicContact CG-CE1 4.38Å; P19-F340 HydrophobicContact CG-CE2 3.87Å; P19-F340 HydrophobicContact CG-CG 3.73Å; P19-F340 HydrophobicContact CG-CZ 4.25Å
20C95.2Very high94.5Very high0 Ų029.9 Ų29.90%014%0.14CC..Hα-helixtrans-51.1-37.4-178.1-67.80000113.7F18 A24 R63F18-C20 VanDerWaalsContact C-N 3.29Å; F18-C20 VanDerWaalsContact CD1-SG 3.53Å; F18-C20 PolarHBondContact O-N 2.96Å; C20-A24 VanDerWaalsContact O-CB 3.23Å; C20-A24 WeakPolarHBondContact O-CB 3.31Å; C20-A24 PolarHBondContact O-N 3.34Å; C20-R63 HydrophobicContact CB-CB 4.29Å
21N93.9Very high93.5Very high57 Ų5731.6 Ų31.631%0.30515%0.151SC..Hα-helixtrans-67.4-45-179.7-69.8-15.5000111.7P19 A24 Q25 S59P19-N21 PolarHBondContact O-N 3.18Å; P19-N21 VanDerWaalsContact O-N 3.1Å; N21-A24 PolarHBondContact O-N 3.02Å; N21-Q25 WeakPolarHBondContact O-CG 3.46Å; N21-Q25 PolarHBondContact O-N 2.92Å; N21-S59 VanDerWaalsContact OD1-CB 3.27Å; N21-S59 WeakPolarHBondContact OD1-CB 3.3Å; N21-S59 PolarHBondContact OD1-OG 3.04Å
22L94.9Very high91.8Very high25 Ų2540.4 Ų40.413%0.13119%0.185CC..Hα-helixtrans-68.2-41.6176.1-65.2176.7000111.1P19 A24 Q25 W26 I412 F415 E416 I419P19-L22 HydrophobicContact CB-CB 4.25Å; P19-L22 HydrophobicContact CB-CD1 4.2Å; P19-L22 PolarHBondContact O-N 3.24Å; P19-L22 VanDerWaalsContact O-N 3.09Å; L22-A24 VanDerWaalsContact C-N 3.28Å; L22-A24 PolarHBondContact O-N 3.41Å; L22-Q25 PolarHBondContact O-N 3.31Å; L22-W26 WeakPolarHBondContact O-CB 2.78Å; L22-W26 PolarHBondContact O-N 3.46Å; L22-I412 HydrophobicContact CD1-CG2 3.7Å; L22-F415 HydrophobicContact CB-CD1 3.87Å; L22-F415 HydrophobicContact CB-CE1 3.72Å; L22-F415 HydrophobicContact CD1-CD1 4.25Å; L22-E416 HydrophobicContact CD1-CB 4.25Å; L22-E416 HydrophobicContact CD2-CB 4.25Å; L22-E416 HydrophobicContact CD2-CG 4.02Å; L22-I419 HydrophobicContact CB-CD1 3.77Å; L22-I419 HydrophobicContact CD2-CD1 4.18Å; L22-I419 VanDerWaalsContact O-CD1 3.25Å; L22-I419 WeakPolarHBondContact O-CD1 3.41Å
23L95.7Very high89.8Confident2 Ų243.6 Ų43.61%0.0121%0.209CC..Hα-helixtrans-59.3-41.7175.2-16579.4000111.1F18 P19 W26 L27 F41 L62 I76F18-L23 HydrophobicContact CE1-CD2 3.9Å; F18-L23 HydrophobicContact CZ-CD2 3.99Å; P19-L23 PolarHBondContact O-N 3.23Å; L23-W26 HydrophobicContact CD1-CE3 3.73Å; L23-W26 HydrophobicContact CD1-CZ3 3.87Å; L23-W26 PolarHBondContact O-N 2.95Å; L23-L27 HydrophobicContact CD1-CD1 4.43Å; L23-L27 HydrophobicContact CD2-CD1 4.28Å; L23-L27 HydrophobicContact CG-CD1 3.88Å; L23-L27 HydrophobicContact CG-CG 4.49Å; L23-L27 WeakPolarHBondContact O-CB 3.33Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 3.46Å; L23-F41 HydrophobicContact CD2-CE1 4.35Å; L23-L62 HydrophobicContact CD2-CD2 4.15Å; L23-I76 HydrophobicContact CD1-CD1 4.38Å
24A94.7Very high88.1Confident11 Ų1144.7 Ų44.79%0.09122%0.217CC..Hα-helixtrans-65.5-43.3175.500000112.7C20 N21 L22 W26 L27 T28 L36C20-A24 VanDerWaalsContact O-CB 3.23Å; C20-A24 WeakPolarHBondContact O-CB 3.31Å; C20-A24 PolarHBondContact O-N 3.34Å; N21-A24 PolarHBondContact O-N 3.02Å; L22-A24 VanDerWaalsContact C-N 3.28Å; L22-A24 PolarHBondContact O-N 3.41Å; A24-W26 VanDerWaalsContact C-N 3.34Å; A24-L27 PolarHBondContact O-N 2.9Å; A24-T28 WeakPolarHBondContact O-CB 3.47Å; A24-T28 WeakPolarHBondContact O-CG2 3.26Å; A24-T28 PolarHBondContact O-N 2.92Å; A24-T28 PolarHBondContact O-OG1 3.32Å; A24-L36 HydrophobicContact CB-CD1 3.58Å; A24-L36 HydrophobicContact CB-CG 4.3Å
25Q94.2Very high86.9Confident88 Ų8845.5 Ų45.541%0.41123%0.225SC..Hα-helixtrans-61.5-44176-73.8175.237.200111.5N21 L22 Y29 I419N21-Q25 WeakPolarHBondContact O-CG 3.46Å; N21-Q25 PolarHBondContact O-N 2.92Å; L22-Q25 PolarHBondContact O-N 3.31Å; Q25-Y29 PolarHBondContact O-N 2.75Å; Q25-I419 HydrophobicContact CB-CG2 4.1Å
26W96.6Very high86.8Confident0 Ų039.4 Ų39.40%020%0.202CC..Hα-helixtrans-59.2-53.6175.717633.9000111.7L22 L23 A24 T28 Y29 I76 L157 W169 C171 P339 F415 F418 I419L22-W26 WeakPolarHBondContact O-CB 2.78Å; L22-W26 PolarHBondContact O-N 3.46Å; L23-W26 HydrophobicContact CD1-CE3 3.73Å; L23-W26 HydrophobicContact CD1-CZ3 3.87Å; L23-W26 PolarHBondContact O-N 2.95Å; A24-W26 VanDerWaalsContact C-N 3.34Å; W26-T28 VanDerWaalsContact C-N 3.32Å; W26-T28 PolarHBondContact O-N 3.12Å; W26-Y29 WeakPolarHBondContact O-CD2 3.49Å; W26-Y29 WeakPolarHBondContact O-CE2 3.24Å; W26-Y29 PolarHBondContact O-N 3.32Å; W26-I76 HydrophobicContact CZ3-CD1 4.15Å; W26-L157 HydrophobicContact CD2-CD2 4.35Å; W26-L157 HydrophobicContact CE3-CD2 4.46Å; W26-L157 HydrophobicContact CH2-CD2 3.58Å; W26-L157 HydrophobicContact CZ2-CD2 3.46Å; W26-L157 VanDerWaalsContact CZ2-CD2 3.46Å; W26-L157 HydrophobicContact CZ3-CD2 4.11Å; W26-W169 HydrophobicContact CH2-CB 4.35Å; W26-W169 AromaticContact CH2-CD2 3.76Å; W26-W169 HydrophobicContact CH2-CD2 3.76Å; W26-W169 HydrophobicContact CH2-CE3 4.01Å; W26-W169 AromaticContact CH2-CG 3.9Å; W26-W169 HydrophobicContact CH2-CG 3.9Å; W26-W169 HydrophobicContact CZ2-CB 3.87Å; W26-W169 HydrophobicContact CZ2-CD2 4.08Å; W26-W169 HydrophobicContact CZ2-CE3 4.21Å; W26-W169 AromaticContact CZ2-CG 3.93Å; W26-W169 HydrophobicContact CZ2-CG 3.93Å; W26-C171 PolarHBondContact NE1-SG 3.34Å; W26-P339 HydrophobicContact CH2-CG 3.69Å; W26-P339 HydrophobicContact CZ3-CG 3.49Å; W26-P339 VanDerWaalsContact CZ3-CG 3.49Å; W26-F415 HydrophobicContact CB-CE2 4.25Å; W26-F415 HydrophobicContact CB-CZ 3.77Å; W26-F415 AromaticContact CD2-CE2 3.87Å; W26-F415 HydrophobicContact CD2-CE2 3.87Å; W26-F415 AromaticContact CD2-CZ 3.83Å; W26-F415 HydrophobicContact CD2-CZ 3.83Å; W26-F415 AromaticContact CE3-CE2 3.92Å; W26-F415 HydrophobicContact CE3-CE2 3.92Å; W26-F415 AromaticContact CE3-CZ 3.58Å; W26-F415 HydrophobicContact CE3-CZ 3.58Å; W26-F415 HydrophobicContact CG-CE2 4.04Å; W26-F415 AromaticContact CG-CZ 3.96Å; W26-F415 HydrophobicContact CG-CZ 3.96Å; W26-F415 HydrophobicContact CZ3-CZ 4.42Å; W26-F418 AromaticContact NE1-CE1 3.98Å; W26-I419 HydrophobicContact CB-CD1 3.99Å; W26-I419 HydrophobicContact CB-CG1 3.87Å; W26-I419 HydrophobicContact CG-CG1 4.48Å
27L96.4Very high86.9Confident4 Ų437 Ų372%0.02120%0.197CC..Hα-helixtrans-76.4-18.5-170.6-66.4174.9000114.3L23 A24 L36 R39 F41 I76L23-L27 HydrophobicContact CD1-CD1 4.43Å; L23-L27 HydrophobicContact CD2-CD1 4.28Å; L23-L27 HydrophobicContact CG-CD1 3.88Å; L23-L27 HydrophobicContact CG-CG 4.49Å; L23-L27 WeakPolarHBondContact O-CB 3.33Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 3.46Å; A24-L27 PolarHBondContact O-N 2.9Å; L27-L36 HydrophobicContact CB-CD2 4.11Å; L27-L36 HydrophobicContact CD1-CD2 4.31Å; L27-R39 PolarHBondContact O-NH2 3.33Å; L27-R39 VanDerWaalsContact O-NH2 3.15Å; L27-F41 HydrophobicContact CD1-CE1 3.88Å; L27-F41 HydrophobicContact CD1-CZ 3.54Å; L27-I76 HydrophobicContact CD1-CD1 3.98Å; L27-I76 HydrophobicContact CD1-CG1 4.46Å; L27-I76 HydrophobicContact CD1-CG2 4.34Å; L27-I76 HydrophobicContact CD2-CD1 4.23Å; L27-I76 HydrophobicContact CD2-CG2 3.97Å
28T94.4Very high86.9Confident27 Ų2739.6 Ų39.617%0.16621%0.209CC..Hα-helixtrans-94.5-18.4177.359.10000113.3A24 W26 N30 S31 L36A24-T28 WeakPolarHBondContact O-CB 3.47Å; A24-T28 WeakPolarHBondContact O-CG2 3.26Å; A24-T28 PolarHBondContact O-N 2.92Å; A24-T28 PolarHBondContact O-OG1 3.32Å; W26-T28 VanDerWaalsContact C-N 3.32Å; W26-T28 PolarHBondContact O-N 3.12Å; T28-N30 PolarHBondContact O-N 2.78Å; T28-S31 WeakPolarHBondContact O-CB 3.32Å; T28-S31 PolarHBondContact O-N 2.6Å; T28-L36 HydrophobicContact CG2-CD2 4.33Å; T28-L36 HydrophobicContact CG2-CG 3.87Å
29Y93.2Very high86.9Confident3 Ų339.6 Ų39.61%0.01221%0.209CC..THydrogen-bonded Turntrans50.141.6179-60.2-96.9000112.8Q25 W26 S31 W99 E101 C171 R176 V422Q25-Y29 PolarHBondContact O-N 2.75Å; W26-Y29 WeakPolarHBondContact O-CD2 3.49Å; W26-Y29 WeakPolarHBondContact O-CE2 3.24Å; W26-Y29 PolarHBondContact O-N 3.32Å; Y29-S31 PolarHBondContact O-N 3.22Å; Y29-W99 HydrophobicContact CD2-CH2 4.04Å; Y29-W99 HydrophobicContact CD2-CZ3 4.16Å; Y29-W99 HydrophobicContact CE2-CH2 4.35Å; Y29-W99 HydrophobicContact CE2-CZ3 4.04Å; Y29-E101 WeakPolarHBondContact CE2-OE1 3.34Å; Y29-E101 VanDerWaalsContact OH-CG 3.24Å; Y29-E101 WeakPolarHBondContact OH-CG 3.21Å; Y29-E101 PolarHBondContact OH-OE1 3.26Å; Y29-E101 VanDerWaalsContact OH-OE1 3.05Å; Y29-C171 HydrophobicContact CE1-CB 4.1Å; Y29-C171 WeakPolarHBondContact CE1-O 3.39Å; Y29-R176 VanDerWaalsContact CG-CZ 3.41Å; Y29-R176 VanDerWaalsContact CZ-CD 3.44Å; Y29-V422 HydrophobicContact CD1-CG1 3.49Å; Y29-V422 VanDerWaalsContact CD1-CG1 3.49Å; Y29-V422 HydrophobicContact CE1-CG1 3.46Å; Y29-V422 VanDerWaalsContact CE1-CG1 3.46Å
30N80Confident87Confident73 Ų7339 Ų3939%0.3921%0.205SC..THydrogen-bonded Turntrans59.97.3-172.7-73-19.6000116.5T28 R32 L423 N427T28-N30 PolarHBondContact O-N 2.78Å; N30-R32 PolarHBondContact O-N 2.78Å; N30-R32 VanDerWaalsContact O-N 3.15Å; N30-L423 HydrophobicContact CB-CD2 4.32Å; N30-N427 PolarHBondContact ND2-OD1 2.94Å
31S75.1Confident87.1Confident36 Ų3639 Ų3925%0.25221%0.205SC..  trans-67.4115.2175.9-179.20000110.9T28 Y29 S33 S34T28-S31 WeakPolarHBondContact O-CB 3.32Å; T28-S31 PolarHBondContact O-N 2.6Å; Y29-S31 PolarHBondContact O-N 3.22Å; S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact OG-N 3.36Å; S31-S34 PolarHBondContact OG-N 3.25Å; S31-S34 PolarHBondContact OG-OG 3.18Å
32R59.2Low87.4Confident255 Ų25536.3 Ų36.396%0.96219%0.191SC*.SBendtrans-73.2-24.7173.8-68.8-178.4173.8161.8-1.5112.9N30N30-R32 PolarHBondContact O-N 2.78Å; N30-R32 VanDerWaalsContact O-N 3.15Å
33S54.2Low87.5Confident105 Ų10535.1 Ų35.173%0.73419%0.185SC*.SBendtrans-103.8-21.3-166.754.10000114.8S31S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact OG-N 3.36Å
34S58.9Low87.6Confident24 Ų2435.9 Ų35.917%0.16819%0.189CC..SBendtrans-128.432.9-17458.60000113S31S31-S34 PolarHBondContact OG-N 3.25Å; S31-S34 PolarHBondContact OG-OG 3.18Å
35G73.1Confident87.6Confident16 Ų1636.8 Ų36.817%0.16519%0.192CC..  trans-59.5-164-171.900000115.9S37 K38G35-S37 PolarHBondContact O-N 3.4Å; G35-K38 PolarHBondContact O-N 3.08Å
36L92.5Very high87.4Confident6 Ų638.6 Ų38.63%0.03121%0.205CC..G310 helixtrans-48.5-22.3-178.3-74.9178.7000114.2A24 L27 T28 K38 R39 F41 F56A24-L36 HydrophobicContact CB-CD1 3.58Å; A24-L36 HydrophobicContact CB-CG 4.3Å; L27-L36 HydrophobicContact CB-CD2 4.11Å; L27-L36 HydrophobicContact CD1-CD2 4.31Å; T28-L36 HydrophobicContact CG2-CD2 4.33Å; T28-L36 HydrophobicContact CG2-CG 3.87Å; L36-K38 PolarHBondContact O-N 3.04Å; L36-R39 PolarHBondContact O-N 2.7Å; L36-F41 HydrophobicContact CD2-CE2 3.93Å; L36-F41 HydrophobicContact CD2-CZ 3.83Å; L36-F56 CarbonylContact C-O 3.59Å; L36-F56 WeakPolarHBondContact CB-O 3.37Å; L36-F56 PolarHBondContact O-N 3.49Å
37S94.8Very high87.1Confident30 Ų3041.4 Ų41.421%0.2123%0.234CC..G310 helixtrans-63.7-27.2-179.560.40000113.2G35 S55 F56 D57 A83G35-S37 PolarHBondContact O-N 3.4Å; S37-S55 WeakPolarHBondContact O-CB 3.43Å; S37-S55 PolarHBondContact O-OG 3.26Å; S37-F56 VanDerWaalsContact CA-O 3.25Å; S37-F56 WeakPolarHBondContact CA-O 3.39Å; S37-F56 PolarHBondContact N-O 2.98Å; S37-D57 WeakPolarHBondContact CB-OD1 3.4Å; S37-A83 VanDerWaalsContact O-CA 3.25Å; S37-A83 WeakPolarHBondContact O-CA 3.42Å; S37-A83 WeakPolarHBondContact O-CB 3.48Å
38K95.5Very high86.8Confident57 Ų5747.5 Ų47.525%0.24827%0.266CS..G310 helixtrans-100.6-8.4177.1-69.2-171.4177.3-154.50113.8G35 L36 V79 Y80 S81 P84G35-K38 PolarHBondContact O-N 3.08Å; L36-K38 PolarHBondContact O-N 3.04Å; K38-V79 HydrophobicContact CB-CG1 3.84Å; K38-V79 WeakPolarHBondContact O-CA 3.24Å; K38-Y80 WeakPolarHBondContact CB-O 3.06Å; K38-Y80 WeakPolarHBondContact CD-O 3.26Å; K38-Y80 PolarHBondContact O-N 3.42Å; K38-S81 WeakPolarHBondContact CE-O 3.47Å; K38-S81 PolarHBondContact NZ-O 3.27Å; K38-P84 WeakPolarHBondContact O-CD 3.44Å
39R96.8Very high86.8Confident1 Ų150.8 Ų50.80%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-80.9129177.2178.766.468162.711.6110.3L27 L36 F41 S55 I76 G77 V79 E101L27-R39 PolarHBondContact O-NH2 3.33Å; L27-R39 VanDerWaalsContact O-NH2 3.15Å; L36-R39 PolarHBondContact O-N 2.7Å; R39-F41 HydrophobicContact CB-CE2 4.06Å; R39-F41 HydrophobicContact CG-CD2 4.16Å; R39-F41 HydrophobicContact CG-CE2 3.61Å; R39-F41 HydrophobicContact CG-CZ 4.08Å; R39-S55 WeakPolarHBondContact O-CB 3.4Å; R39-I76 HydrophobicContact CG-CG2 4.5Å; R39-G77 WeakPolarHBondContact CD-O 3.4Å; R39-G77 PolarHBondContact NH1-O 2.96Å; R39-V79 HydrophobicContact CB-CG2 4.41Å; R39-V79 VanDerWaalsContact NE-CG2 3.27Å; R39-E101 IonicContact CZ-OE1 3.58Å; R39-E101 IonicContact CZ-OE2 2.77Å; R39-E101 IonicContact NH1-OE1 2.91Å; R39-E101 IonicContact NH1-OE2 2.89Å; R39-E101 PolarHBondContact NH1-OE2 3.49Å; R39-E101 IonicContact NH2-OE1 3.5Å; R39-E101 PolarHBondContact NH2-OE1 3.3Å; R39-E101 IonicContact NH2-OE2 2.77Å
40E97.8Very high86.9Confident0 Ų055.8 Ų55.80%030%0.302CS..EExtended strand (participates in β ladder)trans-75.9131.9170.1179.4179.1-162.300110.6R52 Y53 Q54 G77 A78 Y80 P84 L335E40-R52 IonicContact OE1-CZ 3.23Å; E40-R52 IonicContact OE1-NE 2.79Å; E40-R52 PolarHBondContact OE1-NE 2.9Å; E40-R52 IonicContact OE1-NH2 3.57Å; E40-R52 PolarHBondContact OE1-NH2 3.5Å; E40-R52 IonicContact OE2-NH2 2.81Å; E40-R52 PolarHBondContact OE2-NH2 3.29Å; E40-Y53 HydrophobicContact CG-CD1 4.49Å; E40-Y53 WeakPolarHBondContact OE1-CD1 3.44Å; E40-Y53 PolarHBondContact OE1-N 2.9Å; E40-Q54 CarbonylContact C-O 3.52Å; E40-Q54 WeakPolarHBondContact CA-O 3.23Å; E40-G77 PolarHBondContact O-N 3.06Å; E40-A78 PolarHBondContact N-O 3.48Å; E40-Y80 HydrophobicContact CB-CD2 4.09Å; E40-Y80 HydrophobicContact CB-CE2 3.66Å; E40-Y80 PolarHBondContact OE2-OH 3.43Å; E40-P84 HydrophobicContact CB-CB 4.3Å; E40-P84 HydrophobicContact CB-CG 3.99Å; E40-L335 HydrophobicContact CG-CD2 4.15Å
41F98.3Very high87.7Confident0 Ų054.7 Ų54.70%030%0.295CS..EExtended strand (participates in β ladder)trans-115.2152.4158.5-65.9-98.3000109.1L23 L27 L36 R39 F43 Q54 F56 I74 D75 I76L23-F41 HydrophobicContact CD2-CE1 4.35Å; L27-F41 HydrophobicContact CD1-CE1 3.88Å; L27-F41 HydrophobicContact CD1-CZ 3.54Å; L36-F41 HydrophobicContact CD2-CE2 3.93Å; L36-F41 HydrophobicContact CD2-CZ 3.83Å; R39-F41 HydrophobicContact CB-CE2 4.06Å; R39-F41 HydrophobicContact CG-CD2 4.16Å; R39-F41 HydrophobicContact CG-CE2 3.61Å; R39-F41 HydrophobicContact CG-CZ 4.08Å; F41-F43 HydrophobicContact CB-CE1 4.31Å; F41-Q54 HydrophobicContact CB-CB 4.2Å; F41-Q54 PolarHBondContact N-O 3Å; F41-Q54 WeakPolarHBondContact O-CB 3.15Å; F41-Q54 PolarHBondContact O-N 3.47Å; F41-F56 HydrophobicContact CB-CE2 3.96Å; F41-F56 AromaticContact CD2-CD2 3.72Å; F41-F56 HydrophobicContact CD2-CD2 3.72Å; F41-F56 AromaticContact CD2-CE2 3.67Å; F41-F56 HydrophobicContact CD2-CE2 3.67Å; F41-F56 AromaticContact CE2-CD2 3.96Å; F41-F56 HydrophobicContact CE2-CD2 3.96Å; F41-F56 HydrophobicContact CE2-CE2 4.31Å; F41-F56 HydrophobicContact CG-CD2 4.32Å; F41-F56 AromaticContact CG-CE2 3.83Å; F41-F56 HydrophobicContact CG-CE2 3.83Å; F41-I74 HydrophobicContact CD1-CG2 4.3Å; F41-D75 CarbonylContact C-O 3.59Å; F41-D75 WeakPolarHBondContact CA-O 3.17Å; F41-I76 HydrophobicContact CD1-CG1 4.09Å; F41-I76 HydrophobicContact CE1-CG1 3.92Å
42S98.2Very high88.7Confident0 Ų056.4 Ų56.40%030%0.296CS..EExtended strand (participates in β ladder)trans-124.2145.8163.688.10000111Y50 L51 I74 D75S42-Y50 VanDerWaalsContact OG-CE2 3.32Å; S42-Y50 WeakPolarHBondContact OG-CE2 3.35Å; S42-Y50 PolarHBondContact OG-OH 3.35Å; S42-L51 CarbonylContact C-O 3.57Å; S42-L51 WeakPolarHBondContact CA-O 3.48Å; S42-L51 WeakPolarHBondContact CB-O 3.38Å; S42-I74 WeakPolarHBondContact O-CA 3.36Å; S42-D75 PolarHBondContact N-O 2.79Å; S42-D75 PolarHBondContact O-N 2.92Å; S42-D75 WeakPolarHBondContact OG-CB 3.17Å; S42-D75 PolarHBondContact OG-OD2 3.45Å
43F98.1Very high90.5Very high0 Ų047.4 Ų47.40%026%0.263CS..EExtended strand (participates in β ladder)trans-120.5131.9177.8-65.7-22.6000109.5F41 L45 L51 Q54 F56 L62 L66 L69 P71 K73 I74F41-F43 HydrophobicContact CB-CE1 4.31Å; F43-L45 HydrophobicContact CB-CD2 4.31Å; F43-L51 HydrophobicContact CB-CB 4.35Å; F43-L51 PolarHBondContact N-O 2.66Å; F43-L51 PolarHBondContact O-N 2.93Å; F43-Q54 HydrophobicContact CD2-CG 4.29Å; F43-F56 HydrophobicContact CE2-CE1 4.44Å; F43-F56 AromaticContact CE2-CZ 3.64Å; F43-F56 HydrophobicContact CE2-CZ 3.64Å; F43-F56 HydrophobicContact CZ-CE1 4.45Å; F43-F56 AromaticContact CZ-CE2 3.89Å; F43-F56 HydrophobicContact CZ-CE2 3.89Å; F43-F56 AromaticContact CZ-CZ 3.41Å; F43-F56 HydrophobicContact CZ-CZ 3.41Å; F43-F56 VanDerWaalsContact CZ-CZ 3.41Å; F43-L62 HydrophobicContact CZ-CD1 4.21Å; F43-L66 HydrophobicContact CD1-CD2 4.5Å; F43-L66 HydrophobicContact CE1-CD2 3.71Å; F43-L66 HydrophobicContact CE2-CD2 4.37Å; F43-L66 HydrophobicContact CZ-CD2 3.63Å; F43-L66 HydrophobicContact CZ-CG 4.46Å; F43-L69 HydrophobicContact CD2-CD1 3.9Å; F43-L69 HydrophobicContact CE2-CD1 4.2Å; F43-P71 HydrophobicContact CB-CB 3.79Å; F43-P71 HydrophobicContact CB-CG 4.49Å; F43-P71 HydrophobicContact CD1-CB 4.18Å; F43-P71 HydrophobicContact CD1-CG 4.06Å; F43-P71 HydrophobicContact CE1-CG 4.47Å; F43-P71 HydrophobicContact CG-CB 3.96Å; F43-P71 HydrophobicContact CG-CG 4.11Å; F43-K73 WeakPolarHBondContact CA-O 3.34Å; F43-I74 HydrophobicContact CD1-CB 4.42Å; F43-I74 HydrophobicContact CD1-CG1 4.07Å; F43-I74 HydrophobicContact CD1-CG2 4.14Å; F43-I74 HydrophobicContact CE1-CG1 4.14Å; F43-I74 HydrophobicContact CE1-CG2 3.88Å
44T97.5Very high92.6Very high17 Ų1745 Ų4510%0.10424%0.24CC..EExtended strand (participates in β ladder)trans-101124.1163-48.50000107.5I49 P71 I72 K73T44-I49 CarbonylContact C-O 3.59Å; T44-I49 WeakPolarHBondContact CA-O 3.38Å; T44-P71 CarbonylContact O-C 3.12Å; T44-P71 WeakPolarHBondContact O-CA 3.29Å; T44-I72 HydrophobicContact CG2-CD1 4.29Å; T44-I72 HydrophobicContact CG2-CG1 4.14Å; T44-I72 VanDerWaalsContact O-CG1 3.32Å; T44-I72 WeakPolarHBondContact O-CG1 3.12Å; T44-I72 PolarHBondContact O-N 3.39Å; T44-K73 PolarHBondContact N-O 3.47Å; T44-K73 PolarHBondContact O-N 2.98Å
45L95.4Very high94.4Very high31 Ų3144.1 Ų44.116%0.16223%0.234CC..  trans-96.2176.1175.5-47.7-175.3000110.3F43 D48 I49 L51 L69 P71F43-L45 HydrophobicContact CB-CD2 4.31Å; L45-D48 PolarHBondContact O-N 3.39Å; L45-I49 HydrophobicContact CB-CB 4.23Å; L45-I49 PolarHBondContact N-O 3.11Å; L45-L51 HydrophobicContact CD1-CD1 3.81Å; L45-L51 HydrophobicContact CD1-CG 4.47Å; L45-L51 HydrophobicContact CD2-CD1 4.46Å; L45-L51 HydrophobicContact CG-CD1 4.14Å; L45-L69 HydrophobicContact CD2-CB 4.05Å; L45-P71 HydrophobicContact CD2-CB 3.86Å
46N90.5Very high95.5Very high126 Ų12643.8 Ų43.867%0.67423%0.228SC*.G310 helixtrans-57.5145.1172-166.623.5000111.1D48N46-D48 VanDerWaalsContact C-N 3.35Å
47G90.2Very high95.5Very high59 Ų5947.7 Ų47.761%0.60825%0.249SC*.G310 helixtrans74.422.3-172.100000114.4I49G47-I49 PolarHBondContact O-N 2.96Å; G47-I49 VanDerWaalsContact O-N 3.14Å
48D89.2Confident95.4Very high131 Ų13148.3 Ų48.370%0.70125%0.253SS*.G310 helixtrans57.526.6178.3-61.3-47.5000114.1L45 N46 Y50L45-D48 PolarHBondContact O-N 3.39Å; N46-D48 VanDerWaalsContact C-N 3.35Å; D48-Y50 PolarHBondContact O-N 3.42Å
49I94.9Very high95.3Very high96 Ų9647 Ų4749%0.49225%0.251SS..  trans-71.3113.6175.7-59171.9000108.6T44 L45 G47 L51T44-I49 CarbonylContact C-O 3.59Å; T44-I49 WeakPolarHBondContact CA-O 3.38Å; L45-I49 HydrophobicContact CB-CB 4.23Å; L45-I49 PolarHBondContact N-O 3.11Å; G47-I49 PolarHBondContact O-N 2.96Å; G47-I49 VanDerWaalsContact O-N 3.14Å; I49-L51 HydrophobicContact CG2-CD2 4.17Å
50Y95.2Very high95.2Very high109 Ų10949.9 Ų49.943%0.42728%0.275SS..EExtended strand (participates in β ladder)trans-102.6119-174-173.9-120.4000112.3S42 D48 R52 L335S42-Y50 VanDerWaalsContact OG-CE2 3.32Å; S42-Y50 WeakPolarHBondContact OG-CE2 3.35Å; S42-Y50 PolarHBondContact OG-OH 3.35Å; D48-Y50 PolarHBondContact O-N 3.42Å; Y50-R52 HydrophobicContact CD1-CG 3.81Å; Y50-R52 HydrophobicContact CE1-CG 3.16Å; Y50-L335 WeakPolarHBondContact OH-CD1 3.46Å
51L96.9Very high95.1Very high50 Ų5052.8 Ų52.826%0.26229%0.291SS..EExtended strand (participates in β ladder)trans-110.5103.5-178.7-55.5-178.4000110S42 F43 L45 I49 Q54 L69S42-L51 CarbonylContact C-O 3.57Å; S42-L51 WeakPolarHBondContact CA-O 3.48Å; S42-L51 WeakPolarHBondContact CB-O 3.38Å; F43-L51 HydrophobicContact CB-CB 4.35Å; F43-L51 PolarHBondContact N-O 2.66Å; F43-L51 PolarHBondContact O-N 2.93Å; L45-L51 HydrophobicContact CD1-CD1 3.81Å; L45-L51 HydrophobicContact CD1-CG 4.47Å; L45-L51 HydrophobicContact CD2-CD1 4.46Å; L45-L51 HydrophobicContact CG-CD1 4.14Å; I49-L51 HydrophobicContact CG2-CD2 4.17Å; L51-Q54 HydrophobicContact CB-CG 4.48Å; L51-L69 HydrophobicContact CD1-CD1 4.41Å
52R96.1Very high95Very high71 Ų7152.9 Ų52.927%0.26829%0.291SS..EExtended strand (participates in β ladder)trans-87172173.1-72.8-156.269.9161.32.7113E40 Y50 Q54E40-R52 IonicContact OE1-CZ 3.23Å; E40-R52 IonicContact OE1-NE 2.79Å; E40-R52 PolarHBondContact OE1-NE 2.9Å; E40-R52 IonicContact OE1-NH2 3.57Å; E40-R52 PolarHBondContact OE1-NH2 3.5Å; E40-R52 IonicContact OE2-NH2 2.81Å; E40-R52 PolarHBondContact OE2-NH2 3.29Å; Y50-R52 HydrophobicContact CD1-CG 3.81Å; Y50-R52 HydrophobicContact CE1-CG 3.16Å; R52-Q54 PolarHBondContact O-N 3.27Å; R52-Q54 PolarHBondContact O-NE2 3.31Å
53Y96.5Very high95Very high67 Ų6754.8 Ų54.826%0.26330%0.298SS..EExtended strand (participates in β ladder)trans57.135.7170-55-64.4000113.2E40 P84 R85 H87 L95E40-Y53 HydrophobicContact CG-CD1 4.49Å; E40-Y53 WeakPolarHBondContact OE1-CD1 3.44Å; E40-Y53 PolarHBondContact OE1-N 2.9Å; Y53-P84 WeakPolarHBondContact CB-O 3.47Å; Y53-P84 HydrophobicContact CD1-CB 4.33Å; Y53-P84 CarbonylContact O-C 3.58Å; Y53-R85 WeakPolarHBondContact O-CA 3.48Å; Y53-R85 PolarHBondContact O-N 3.31Å; Y53-H87 WeakPolarHBondContact CB-ND1 3.5Å; Y53-H87 AromaticContact CD2-CD2 3.82Å; Y53-H87 AromaticContact CD2-CG 3.92Å; Y53-H87 AromaticContact CD2-NE2 3.91Å; Y53-H87 HydrophobicContact CG-CB 4.36Å; Y53-H87 AromaticContact CG-CG 3.99Å; Y53-H87 AromaticContact CG-ND1 3.96Å; Y53-L95 HydrophobicContact CD1-CD2 4.24Å; Y53-L95 HydrophobicContact CE1-CD2 4.23Å
54Q97.7Very high94.9Very high54 Ų5461.5 Ų61.525%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-80.7144.7169.9-54.9-54.8-58.400109.1E40 F41 F43 L51 R52 F56E40-Q54 CarbonylContact C-O 3.52Å; E40-Q54 WeakPolarHBondContact CA-O 3.23Å; F41-Q54 HydrophobicContact CB-CB 4.2Å; F41-Q54 PolarHBondContact N-O 3Å; F41-Q54 WeakPolarHBondContact O-CB 3.15Å; F41-Q54 PolarHBondContact O-N 3.47Å; F43-Q54 HydrophobicContact CD2-CG 4.29Å; L51-Q54 HydrophobicContact CB-CG 4.48Å; R52-Q54 PolarHBondContact O-N 3.27Å; R52-Q54 PolarHBondContact O-NE2 3.31Å; Q54-F56 HydrophobicContact CB-CE2 4.28Å; Q54-F56 HydrophobicContact CB-CZ 4.01Å
55S97.1Very high94.9Very high5 Ų563 Ų634%0.03533%0.333CS..  trans-154154.8171.468.80000110.8S37 R39 R85S37-S55 WeakPolarHBondContact O-CB 3.43Å; S37-S55 PolarHBondContact O-OG 3.26Å; R39-S55 WeakPolarHBondContact O-CB 3.4Å; S55-R85 WeakPolarHBondContact OG-CG 2.79Å; S55-R85 PolarHBondContact OG-N 2.9Å
56F95.8Very high95Very high9 Ų961.5 Ų61.54%0.03933%0.326CS..  trans-134.3140.1-166-53.6-77.8000110.9L36 S37 F41 F43 Q54 D61 L62 E65L36-F56 CarbonylContact C-O 3.59Å; L36-F56 WeakPolarHBondContact CB-O 3.37Å; L36-F56 PolarHBondContact O-N 3.49Å; S37-F56 VanDerWaalsContact CA-O 3.25Å; S37-F56 WeakPolarHBondContact CA-O 3.39Å; S37-F56 PolarHBondContact N-O 2.98Å; F41-F56 HydrophobicContact CB-CE2 3.96Å; F41-F56 AromaticContact CD2-CD2 3.72Å; F41-F56 HydrophobicContact CD2-CD2 3.72Å; F41-F56 AromaticContact CD2-CE2 3.67Å; F41-F56 HydrophobicContact CD2-CE2 3.67Å; F41-F56 AromaticContact CE2-CD2 3.96Å; F41-F56 HydrophobicContact CE2-CD2 3.96Å; F41-F56 HydrophobicContact CE2-CE2 4.31Å; F41-F56 HydrophobicContact CG-CD2 4.32Å; F41-F56 AromaticContact CG-CE2 3.83Å; F41-F56 HydrophobicContact CG-CE2 3.83Å; F43-F56 HydrophobicContact CE2-CE1 4.44Å; F43-F56 AromaticContact CE2-CZ 3.64Å; F43-F56 HydrophobicContact CE2-CZ 3.64Å; F43-F56 HydrophobicContact CZ-CE1 4.45Å; F43-F56 AromaticContact CZ-CE2 3.89Å; F43-F56 HydrophobicContact CZ-CE2 3.89Å; F43-F56 AromaticContact CZ-CZ 3.41Å; F43-F56 HydrophobicContact CZ-CZ 3.41Å; F43-F56 VanDerWaalsContact CZ-CZ 3.41Å; Q54-F56 HydrophobicContact CB-CE2 4.28Å; Q54-F56 HydrophobicContact CB-CZ 4.01Å; F56-D61 HydrophobicContact CB-CB 4.29Å; F56-L62 HydrophobicContact CB-CB 4.13Å; F56-L62 HydrophobicContact CD1-CB 4.34Å; F56-L62 HydrophobicContact CD2-CB 4.07Å; F56-L62 HydrophobicContact CD2-CD1 3.6Å; F56-L62 HydrophobicContact CD2-CG 4.36Å; F56-L62 HydrophobicContact CE1-CD1 4.44Å; F56-L62 HydrophobicContact CE2-CD1 3.45Å; F56-L62 VanDerWaalsContact CE2-CD1 3.45Å; F56-L62 HydrophobicContact CG-CB 3.89Å; F56-L62 HydrophobicContact CG-CD1 4.19Å; F56-L62 HydrophobicContact CZ-CD1 3.92Å; F56-E65 HydrophobicContact CD1-CG 4.5Å; F56-E65 HydrophobicContact CE1-CB 3.79Å; F56-E65 HydrophobicContact CE1-CG 3.96Å
57D93.3Very high95.3Very high89 Ų8956.8 Ų56.848%0.47630%0.301SS..SBendtrans-77.5-27.8-178.4-60-51.4000112.1S37 R85S37-D57 WeakPolarHBondContact CB-OD1 3.4Å; D57-R85 VanDerWaalsContact CG-NH2 3.26Å; D57-R85 IonicContact OD1-CZ 2.71Å; D57-R85 IonicContact OD1-NH1 3.96Å; D57-R85 IonicContact OD1-NH2 3.03Å; D57-R85 PolarHBondContact OD1-NH2 3.37Å; D57-R85 IonicContact OD2-CZ 3.21Å; D57-R85 VanDerWaalsContact OD2-CZ 3.23Å; D57-R85 IonicContact OD2-NH1 3.71Å; D57-R85 PolarHBondContact OD2-NH1 3.07Å; D57-R85 IonicContact OD2-NH2 2.74Å; D57-R85 PolarHBondContact OD2-NH2 2.77Å
58S92.9Very high95.7Very high42 Ų4260.1 Ų60.129%0.29430%0.299SS..SBendtrans-144.3167.6-179.470.20000113.3A60 D61 L62S58-A60 PolarHBondContact O-N 3.31Å; S58-A60 PolarHBondContact OG-N 3.5Å; S58-D61 WeakPolarHBondContact CB-OD2 3.47Å; S58-D61 PolarHBondContact N-OD2 2.81Å; S58-D61 VanDerWaalsContact N-OD2 3.08Å; S58-D61 PolarHBondContact O-N 3.29Å; S58-D61 PolarHBondContact OG-N 3.45Å; S58-D61 VanDerWaalsContact OG-N 3.1Å; S58-D61 PolarHBondContact OG-OD2 3.32Å; S58-L62 PolarHBondContact O-N 2.93Å; S58-L62 VanDerWaalsContact O-N 3.11Å
59S93.7Very high96Very high29 Ų2956.2 Ų56.220%0.20328%0.278CS..Hα-helixtrans-62-29170.359.80000112.5N21 R63N21-S59 VanDerWaalsContact OD1-CB 3.27Å; N21-S59 WeakPolarHBondContact OD1-CB 3.3Å; N21-S59 PolarHBondContact OD1-OG 3.04Å; S59-R63 WeakPolarHBondContact O-CB 3.35Å; S59-R63 PolarHBondContact O-N 3.43Å
60A94.4Very high96.1Very high63 Ų6351.9 Ų51.952%0.52126%0.256SS..Hα-helixtrans-69.6-41.9176.100000111.5S58 R63 K64S58-A60 PolarHBondContact O-N 3.31Å; S58-A60 PolarHBondContact OG-N 3.5Å; A60-R63 PolarHBondContact O-N 3.45Å; A60-K64 WeakPolarHBondContact O-CB 3.49Å; A60-K64 PolarHBondContact O-N 2.82Å
61D95.5Very high96.2Very high61 Ų6146.7 Ų46.733%0.32624%0.235SC..Hα-helixtrans-64.7-43.2175.6-60.1-47.1000111.4F56 S58 K64 E65F56-D61 HydrophobicContact CB-CB 4.29Å; S58-D61 WeakPolarHBondContact CB-OD2 3.47Å; S58-D61 PolarHBondContact N-OD2 2.81Å; S58-D61 VanDerWaalsContact N-OD2 3.08Å; S58-D61 PolarHBondContact O-N 3.29Å; S58-D61 PolarHBondContact OG-N 3.45Å; S58-D61 VanDerWaalsContact OG-N 3.1Å; S58-D61 PolarHBondContact OG-OD2 3.32Å; D61-K64 PolarHBondContact O-N 3.42Å; D61-E65 PolarHBondContact O-N 3.09Å
62L96.3Very high96.1Very high1 Ų145.5 Ų45.51%0.00523%0.229CC..Hα-helixtrans-57-50.8172.9173.162.7000110.7L23 F43 F56 S58 K64 E65 L66L23-L62 HydrophobicContact CD2-CD2 4.15Å; F43-L62 HydrophobicContact CZ-CD1 4.21Å; F56-L62 HydrophobicContact CB-CB 4.13Å; F56-L62 HydrophobicContact CD1-CB 4.34Å; F56-L62 HydrophobicContact CD2-CB 4.07Å; F56-L62 HydrophobicContact CD2-CD1 3.6Å; F56-L62 HydrophobicContact CD2-CG 4.36Å; F56-L62 HydrophobicContact CE1-CD1 4.44Å; F56-L62 HydrophobicContact CE2-CD1 3.45Å; F56-L62 VanDerWaalsContact CE2-CD1 3.45Å; F56-L62 HydrophobicContact CG-CB 3.89Å; F56-L62 HydrophobicContact CG-CD1 4.19Å; F56-L62 HydrophobicContact CZ-CD1 3.92Å; S58-L62 PolarHBondContact O-N 2.93Å; S58-L62 VanDerWaalsContact O-N 3.11Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 2.78Å; L62-E65 PolarHBondContact O-N 3.16Å; L62-L66 HydrophobicContact CD1-CD1 3.99Å; L62-L66 HydrophobicContact CD1-CD2 4.42Å; L62-L66 HydrophobicContact CD1-CG 3.97Å; L62-L66 HydrophobicContact CG-CD1 4.04Å; L62-L66 HydrophobicContact CG-CG 4.38Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.3Å; L62-L66 PolarHBondContact O-N 3.36Å
63R96.9Very high96.1Very high41 Ų4145.7 Ų45.716%0.15523%0.232CC..Hα-helixtrans-58.8-45.2178.9-173.4178.4-62.3-71.33.4111.6Y14 F18 C20 S59 A60 E65 L66 V67 H399Y14-R63 PolarHBondContact O-NH1 2.94Å; F18-R63 PolarHBondContact O-NH1 3.37Å; F18-R63 PolarHBondContact O-NH2 3.44Å; C20-R63 HydrophobicContact CB-CB 4.29Å; S59-R63 WeakPolarHBondContact O-CB 3.35Å; S59-R63 PolarHBondContact O-N 3.43Å; A60-R63 PolarHBondContact O-N 3.45Å; R63-E65 PolarHBondContact O-N 3.12Å; R63-L66 PolarHBondContact O-N 3.34Å; R63-V67 HydrophobicContact CG-CG2 4.35Å; R63-V67 WeakPolarHBondContact O-CG2 3.46Å; R63-V67 PolarHBondContact O-N 3.28Å; R63-H399 VanDerWaalsContact CZ-CE1 3.44Å; R63-H399 PolarHBondContact NH1-CE1 3.25Å; R63-H399 PolarHBondContact NH1-NE2 3.11Å; R63-H399 PolarHBondContact NH2-CE1 2.97Å
64K97.3Very high96.2Very high141 Ų14142.6 Ų42.661%0.61322%0.22SC*.Hα-helixtrans-57.5-48.5179.5-179.6-177.8175.5-1770111.3A60 D61 L62 V67 K68A60-K64 WeakPolarHBondContact O-CB 3.49Å; A60-K64 PolarHBondContact O-N 2.82Å; D61-K64 PolarHBondContact O-N 3.42Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 2.78Å; K64-V67 PolarHBondContact O-N 2.85Å; K64-K68 VanDerWaalsContact O-CB 3.31Å; K64-K68 WeakPolarHBondContact O-CB 3.43Å; K64-K68 PolarHBondContact O-N 3.38Å
65E97.4Very high96.2Very high47 Ų4740.1 Ų40.122%0.2221%0.209CC..Hα-helixtrans-70.4-36.1179.1-72-60.2126.700112.5F56 D61 L62 R63 V67 K68 L69F56-E65 HydrophobicContact CD1-CG 4.5Å; F56-E65 HydrophobicContact CE1-CB 3.79Å; F56-E65 HydrophobicContact CE1-CG 3.96Å; D61-E65 PolarHBondContact O-N 3.09Å; L62-E65 PolarHBondContact O-N 3.16Å; R63-E65 PolarHBondContact O-N 3.12Å; E65-V67 PolarHBondContact O-N 3.42Å; E65-K68 PolarHBondContact O-N 3.23Å; E65-K68 IonicContact OE1-NZ 3.46Å; E65-K68 PolarHBondContact OE1-NZ 3.07Å; E65-K68 IonicContact OE2-NZ 2.8Å; E65-K68 PolarHBondContact OE2-NZ 3.42Å; E65-L69 WeakPolarHBondContact O-CB 3.21Å; E65-L69 WeakPolarHBondContact O-CG 3.39Å; E65-L69 PolarHBondContact O-N 3.41Å
66L97.6Very high96.3Very high1 Ų139.9 Ų39.91%0.00521%0.207CC..Hα-helixtrans-60.8-44.3173.6-71.2179000112.3Y14 F18 F43 L62 R63 K68 C70 P71 I74Y14-L66 HydrophobicContact CD1-CB 4.28Å; Y14-L66 HydrophobicContact CD1-CD1 4.22Å; Y14-L66 HydrophobicContact CD2-CB 4.25Å; Y14-L66 WeakPolarHBondContact CD2-O 3.36Å; Y14-L66 HydrophobicContact CG-CB 3.99Å; F18-L66 HydrophobicContact CD1-CD1 3.93Å; F18-L66 HydrophobicContact CE1-CD1 3.85Å; F18-L66 HydrophobicContact CZ-CD1 4.46Å; F43-L66 HydrophobicContact CD1-CD2 4.5Å; F43-L66 HydrophobicContact CE1-CD2 3.71Å; F43-L66 HydrophobicContact CE2-CD2 4.37Å; F43-L66 HydrophobicContact CZ-CD2 3.63Å; F43-L66 HydrophobicContact CZ-CG 4.46Å; L62-L66 HydrophobicContact CD1-CD1 3.99Å; L62-L66 HydrophobicContact CD1-CD2 4.42Å; L62-L66 HydrophobicContact CD1-CG 3.97Å; L62-L66 HydrophobicContact CG-CD1 4.04Å; L62-L66 HydrophobicContact CG-CG 4.38Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.3Å; L62-L66 PolarHBondContact O-N 3.36Å; R63-L66 PolarHBondContact O-N 3.34Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-C70 VanDerWaalsContact O-CA 3.31Å; L66-C70 WeakPolarHBondContact O-CA 3.21Å; L66-C70 PolarHBondContact O-N 2.84Å; L66-P71 HydrophobicContact CD2-CG 3.61Å; L66-I74 HydrophobicContact CD1-CD1 4.35Å; L66-I74 HydrophobicContact CD2-CD1 3.57Å; L66-I74 HydrophobicContact CD2-CG1 4.08Å
67V97.2Very high96.4Very high26 Ų2639.5 Ų39.516%0.15821%0.205CC..Hα-helixtrans-68.2-33.8178.2172.80000111.9R11 R15 R63 K64 E65 C70R11-V67 HydrophobicContact CG-CG1 4.06Å; R15-V67 HydrophobicContact CB-CG2 3.96Å; R63-V67 HydrophobicContact CG-CG2 4.35Å; R63-V67 WeakPolarHBondContact O-CG2 3.46Å; R63-V67 PolarHBondContact O-N 3.28Å; K64-V67 PolarHBondContact O-N 2.85Å; E65-V67 PolarHBondContact O-N 3.42Å; V67-C70 PolarHBondContact O-SG 3.31Å
68K96.9Very high96.6Very high130 Ų13035.2 Ų35.257%0.56518%0.182SC*.Hα-helixtrans-73.6-49.9178.8174.4-175.9159.2-149.10112.1K64 E65 L66K64-K68 VanDerWaalsContact O-CB 3.31Å; K64-K68 WeakPolarHBondContact O-CB 3.43Å; K64-K68 PolarHBondContact O-N 3.38Å; E65-K68 PolarHBondContact O-N 3.23Å; E65-K68 IonicContact OE1-NZ 3.46Å; E65-K68 PolarHBondContact OE1-NZ 3.07Å; E65-K68 IonicContact OE2-NZ 2.8Å; E65-K68 PolarHBondContact OE2-NZ 3.42Å; L66-K68 VanDerWaalsContact C-N 3.33Å
69L96.3Very high96.7Very high49 Ų4933.3 Ų33.326%0.25717%0.169SC..Hα-helixtrans-88-24.7-173-63.3178.2000113.5F43 L45 L51 E65F43-L69 HydrophobicContact CD2-CD1 3.9Å; F43-L69 HydrophobicContact CE2-CD1 4.2Å; L45-L69 HydrophobicContact CD2-CB 4.05Å; L51-L69 HydrophobicContact CD1-CD1 4.41Å; E65-L69 WeakPolarHBondContact O-CB 3.21Å; E65-L69 WeakPolarHBondContact O-CG 3.39Å; E65-L69 PolarHBondContact O-N 3.41Å
70C96.6Very high96.8Very high4 Ų432.2 Ų32.23%0.02716%0.16CC..  trans47.457.4-177.4-65.10000113.2E7 L10 L66 V67 I72E7-C70 HydrophobicContact CG-CB 3.63Å; L10-C70 HydrophobicContact CD2-CB 4.15Å; L10-C70 WeakPolarHBondContact CD2-O 3.42Å; L66-C70 VanDerWaalsContact O-CA 3.31Å; L66-C70 WeakPolarHBondContact O-CA 3.21Å; L66-C70 PolarHBondContact O-N 2.84Å; V67-C70 PolarHBondContact O-SG 3.31Å; C70-I72 PolarHBondContact O-N 3.25Å
71P97.1Very high96.8Very high0 Ų030.4 Ų30.40%014%0.143CC..  trans-65.8135.4-175.829.4-36.8000112.1Y14 F43 T44 L45 L66 K73 I74Y14-P71 HydrophobicContact CE2-CG 4.12Å; Y14-P71 PolarHBondContact OH-O 2.76Å; F43-P71 HydrophobicContact CB-CB 3.79Å; F43-P71 HydrophobicContact CB-CG 4.49Å; F43-P71 HydrophobicContact CD1-CB 4.18Å; F43-P71 HydrophobicContact CD1-CG 4.06Å; F43-P71 HydrophobicContact CE1-CG 4.47Å; F43-P71 HydrophobicContact CG-CB 3.96Å; F43-P71 HydrophobicContact CG-CG 4.11Å; T44-P71 CarbonylContact O-C 3.12Å; T44-P71 WeakPolarHBondContact O-CA 3.29Å; L45-P71 HydrophobicContact CD2-CB 3.86Å; L66-P71 HydrophobicContact CD2-CG 3.61Å; P71-K73 VanDerWaalsContact C-N 3.26Å; P71-K73 PolarHBondContact O-N 2.72Å; P71-I74 HydrophobicContact CB-CG1 4.43Å; P71-I74 HydrophobicContact CG-CD1 4.31Å; P71-I74 HydrophobicContact CG-CG1 3.86Å
72I95.5Very high96.7Very high25 Ų2530.6 Ų30.613%0.12815%0.145CC..SBendtrans-76.6-1517768.5169.7000113.1F5 T44 C70 P344F5-I72 HydrophobicContact CE1-CB 4.25Å; F5-I72 HydrophobicContact CE1-CG2 3.62Å; F5-I72 HydrophobicContact CZ-CB 3.89Å; F5-I72 HydrophobicContact CZ-CG2 3.68Å; T44-I72 HydrophobicContact CG2-CD1 4.29Å; T44-I72 HydrophobicContact CG2-CG1 4.14Å; T44-I72 VanDerWaalsContact O-CG1 3.32Å; T44-I72 WeakPolarHBondContact O-CG1 3.12Å; T44-I72 PolarHBondContact O-N 3.39Å; C70-I72 PolarHBondContact O-N 3.25Å; I72-P344 HydrophobicContact CB-CB 4.27Å
73K96.7Very high96.6Very high75 Ų7531.3 Ų31.333%0.32615%0.151SC..EExtended strand (participates in β ladder)trans-145.8138.6174.2-166.3-169.4-177.2-141.70109.6F43 T44 P71 D75F43-K73 WeakPolarHBondContact CA-O 3.34Å; T44-K73 PolarHBondContact N-O 3.47Å; T44-K73 PolarHBondContact O-N 2.98Å; P71-K73 VanDerWaalsContact C-N 3.26Å; P71-K73 PolarHBondContact O-N 2.72Å; K73-D75 WeakPolarHBondContact CE-OD1 3.44Å; K73-D75 WeakPolarHBondContact CE-OD2 3.47Å; K73-D75 VanDerWaalsContact NZ-CG 3.28Å; K73-D75 IonicContact NZ-OD1 2.91Å; K73-D75 PolarHBondContact NZ-OD1 2.74Å; K73-D75 IonicContact NZ-OD2 3.3Å; K73-D75 PolarHBondContact NZ-OD2 3.44Å
74I98.2Very high96.6Very high2 Ų229.4 Ų29.41%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-122.4123.9172.8-56.4163.4000107.5Y14 F18 F41 S42 F43 L66 P71 K337 S338 C341Y14-I74 HydrophobicContact CE1-CD1 3.79Å; Y14-I74 WeakPolarHBondContact OH-CD1 3.41Å; F18-I74 HydrophobicContact CE2-CD1 4.2Å; F18-I74 HydrophobicContact CZ-CD1 4.19Å; F41-I74 HydrophobicContact CD1-CG2 4.3Å; S42-I74 WeakPolarHBondContact O-CA 3.36Å; F43-I74 HydrophobicContact CD1-CB 4.42Å; F43-I74 HydrophobicContact CD1-CG1 4.07Å; F43-I74 HydrophobicContact CD1-CG2 4.14Å; F43-I74 HydrophobicContact CE1-CG1 4.14Å; F43-I74 HydrophobicContact CE1-CG2 3.88Å; L66-I74 HydrophobicContact CD1-CD1 4.35Å; L66-I74 HydrophobicContact CD2-CD1 3.57Å; L66-I74 HydrophobicContact CD2-CG1 4.08Å; P71-I74 HydrophobicContact CB-CG1 4.43Å; P71-I74 HydrophobicContact CG-CD1 4.31Å; P71-I74 HydrophobicContact CG-CG1 3.86Å; I74-K337 WeakPolarHBondContact O-CA 2.91Å; I74-S338 WeakPolarHBondContact O-CB 3.29Å; I74-S338 PolarHBondContact O-N 3.09Å; I74-C341 PolarHBondContact N-SG 3.14Å; I74-C341 VanDerWaalsContact N-SG 3.35Å
75D98.4Very high96.5Very high3 Ų328.1 Ų28.12%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-115.8148170.9-53.3-57.7000110.8F41 S42 K73 L335 L336 K337F41-D75 CarbonylContact C-O 3.59Å; F41-D75 WeakPolarHBondContact CA-O 3.17Å; S42-D75 PolarHBondContact N-O 2.79Å; S42-D75 PolarHBondContact O-N 2.92Å; S42-D75 WeakPolarHBondContact OG-CB 3.17Å; S42-D75 PolarHBondContact OG-OD2 3.45Å; K73-D75 WeakPolarHBondContact CE-OD1 3.44Å; K73-D75 WeakPolarHBondContact CE-OD2 3.47Å; K73-D75 VanDerWaalsContact NZ-CG 3.28Å; K73-D75 IonicContact NZ-OD1 2.91Å; K73-D75 PolarHBondContact NZ-OD1 2.74Å; K73-D75 IonicContact NZ-OD2 3.3Å; K73-D75 PolarHBondContact NZ-OD2 3.44Å; D75-L335 HydrophobicContact CB-CB 3.89Å; D75-L335 HydrophobicContact CB-CD2 4.39Å; D75-L336 CarbonylContact C-O 2.88Å; D75-L336 WeakPolarHBondContact CA-O 3.34Å; D75-K337 WeakPolarHBondContact OD1-CA 3.46Å; D75-K337 PolarHBondContact OD1-N 3.46Å
76I98.4Very high96.4Very high0 Ų029.6 Ų29.60%014%0.144CC..EExtended strand (participates in β ladder)trans-110.4135.9179.3-59.8166.7000108.7L23 W26 L27 R39 F41 W169 L335 L336 S338L23-I76 HydrophobicContact CD1-CD1 4.38Å; W26-I76 HydrophobicContact CZ3-CD1 4.15Å; L27-I76 HydrophobicContact CD1-CD1 3.98Å; L27-I76 HydrophobicContact CD1-CG1 4.46Å; L27-I76 HydrophobicContact CD1-CG2 4.34Å; L27-I76 HydrophobicContact CD2-CD1 4.23Å; L27-I76 HydrophobicContact CD2-CG2 3.97Å; R39-I76 HydrophobicContact CG-CG2 4.5Å; F41-I76 HydrophobicContact CD1-CG1 4.09Å; F41-I76 HydrophobicContact CE1-CG1 3.92Å; I76-W169 HydrophobicContact CB-CH2 3.86Å; I76-W169 HydrophobicContact CB-CZ3 4.26Å; I76-W169 HydrophobicContact CD1-CH2 4.42Å; I76-W169 HydrophobicContact CG2-CH2 4.4Å; I76-W169 HydrophobicContact CG2-CZ3 4.3Å; I76-L335 WeakPolarHBondContact O-CA 3.39Å; I76-L336 PolarHBondContact N-O 3.02Å; I76-L336 PolarHBondContact O-N 3.13Å; I76-L336 VanDerWaalsContact O-N 3.09Å; I76-S338 WeakPolarHBondContact CD1-OG 3.42Å
77G97.4Very high96.2Very high0 Ų032.2 Ų32.20%016%0.156CC..EExtended strand (participates in β ladder)trans-119-158.9-179.800000113.7R39 E40 L335R39-G77 WeakPolarHBondContact CD-O 3.4Å; R39-G77 PolarHBondContact NH1-O 2.96Å; E40-G77 PolarHBondContact O-N 3.06Å; G77-L335 VanDerWaalsContact CA-CD2 3.5Å
78A97Very high96Very high0 Ų041.4 Ų41.40%019%0.188CC..EExtended strand (participates in β ladder)trans-69.7162.3-179.100000112.6E40 Y80 P97 K100 L332E40-A78 PolarHBondContact N-O 3.48Å; A78-Y80 HydrophobicContact CB-CD2 4.14Å; A78-Y80 HydrophobicContact CB-CE2 3.82Å; A78-Y80 WeakPolarHBondContact O-CD2 3.34Å; A78-P97 HydrophobicContact CB-CB 3.63Å; A78-K100 HydrophobicContact CB-CB 4.25Å; A78-K100 HydrophobicContact CB-CD 4.47Å; A78-L332 WeakPolarHBondContact CB-O 3.44Å
79V96.1Very high95.8Very high1 Ų140.3 Ų40.31%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-82.3130.5153178.80000108.5K38 R39 E98 W99K38-V79 HydrophobicContact CB-CG1 3.84Å; K38-V79 WeakPolarHBondContact O-CA 3.24Å; R39-V79 HydrophobicContact CB-CG2 4.41Å; R39-V79 VanDerWaalsContact NE-CG2 3.27Å; V79-E98 PolarHBondContact O-N 3.11Å; V79-W99 HydrophobicContact CB-CD2 3.86Å; V79-W99 HydrophobicContact CB-CE3 4.34Å; V79-W99 HydrophobicContact CB-CG 4.37Å; V79-W99 HydrophobicContact CB-CH2 4.23Å; V79-W99 HydrophobicContact CB-CZ2 3.72Å; V79-W99 HydrophobicContact CG1-CZ2 3.89Å; V79-W99 HydrophobicContact CG2-CD2 3.98Å; V79-W99 HydrophobicContact CG2-CE3 4Å; V79-W99 HydrophobicContact CG2-CH2 3.36Å; V79-W99 HydrophobicContact CG2-CZ2 3.3Å; V79-W99 HydrophobicContact CG2-CZ3 3.73Å; V79-W99 PolarHBondContact N-O 2.87Å
80Y95.4Very high95.6Very high7 Ų740.2 Ų40.23%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-105.5159.9-177.8-77.3-96.1000111.8K38 E40 A78 N82 P84 L95 K96 P97K38-Y80 WeakPolarHBondContact CB-O 3.06Å; K38-Y80 WeakPolarHBondContact CD-O 3.26Å; K38-Y80 PolarHBondContact O-N 3.42Å; E40-Y80 HydrophobicContact CB-CD2 4.09Å; E40-Y80 HydrophobicContact CB-CE2 3.66Å; E40-Y80 PolarHBondContact OE2-OH 3.43Å; A78-Y80 HydrophobicContact CB-CD2 4.14Å; A78-Y80 HydrophobicContact CB-CE2 3.82Å; A78-Y80 WeakPolarHBondContact O-CD2 3.34Å; Y80-N82 VanDerWaalsContact CB-O 3.28Å; Y80-N82 WeakPolarHBondContact CB-O 3.17Å; Y80-N82 PolarHBondContact O-N 3.01Å; Y80-P84 HydrophobicContact CD2-CG 3.8Å; Y80-P84 HydrophobicContact CG-CG 4.27Å; Y80-L95 HydrophobicContact CD1-CD1 3.75Å; Y80-L95 HydrophobicContact CD1-CD2 4.47Å; Y80-L95 HydrophobicContact CD1-CG 3.58Å; Y80-L95 HydrophobicContact CE1-CG 4.01Å; Y80-L95 HydrophobicContact CG-CD1 3.94Å; Y80-L95 HydrophobicContact CG-CG 4.27Å; Y80-K96 CarbonylContact C-O 3.48Å; Y80-K96 VanDerWaalsContact CA-O 3.28Å; Y80-K96 WeakPolarHBondContact CA-O 3.18Å; Y80-K96 VanDerWaalsContact CD1-C 3.48Å; Y80-P97 HydrophobicContact CD1-CB 4.33Å; Y80-P97 HydrophobicContact CE1-CB 4.02Å; Y80-P97 HydrophobicContact CE1-CG 4.4Å
81S93.8Very high95.3Very high24 Ų2446 Ų4617%0.16823%0.226CC..SBendtrans-57.5-3317452.40000113.4K38 S94 K96 E98K38-S81 WeakPolarHBondContact CE-O 3.47Å; K38-S81 PolarHBondContact NZ-O 3.27Å; S81-S94 PolarHBondContact OG-O 2.76Å; S81-K96 PolarHBondContact N-O 3.37Å; S81-K96 PolarHBondContact OG-N 3.24Å; S81-K96 PolarHBondContact OG-O 2.9Å; S81-E98 VanDerWaalsContact CA-OE1 3.32Å; S81-E98 WeakPolarHBondContact CA-OE1 3.22Å; S81-E98 WeakPolarHBondContact CB-OE1 3.48Å
82N94.1Very high94.8Very high66 Ų6651.4 Ų51.435%0.35326%0.263SS..SBendtrans-130.2163.5176.9-77-58.2000111.2Y80 P84 I90 S94 L95Y80-N82 VanDerWaalsContact CB-O 3.28Å; Y80-N82 WeakPolarHBondContact CB-O 3.17Å; Y80-N82 PolarHBondContact O-N 3.01Å; N82-P84 VanDerWaalsContact O-CD 3.25Å; N82-P84 WeakPolarHBondContact O-CD 3.21Å; N82-I90 HydrophobicContact CB-CD1 3.66Å; N82-S94 PolarHBondContact ND2-O 3.5Å; N82-L95 HydrophobicContact CB-CD1 4.42Å; N82-L95 WeakPolarHBondContact O-CD1 3.28Å
83A94.8Very high94.4Very high16 Ų1653.8 Ų53.813%0.13228%0.282CS..  trans-60.7119.7179.600000111.6S37 R85 L86S37-A83 VanDerWaalsContact O-CA 3.25Å; S37-A83 WeakPolarHBondContact O-CA 3.42Å; S37-A83 WeakPolarHBondContact O-CB 3.48Å; A83-R85 HydrophobicContact CB-CG 4.29Å; A83-R85 PolarHBondContact O-N 2.94Å; A83-R85 VanDerWaalsContact O-N 3.14Å; A83-L86 HydrophobicContact CB-CD1 4.12Å; A83-L86 HydrophobicContact CB-CG 4.15Å; A83-L86 WeakPolarHBondContact O-CB 3.45Å; A83-L86 PolarHBondContact O-N 3.17Å
84P96.2Very high94.1Very high0 Ų052.4 Ų52.40%028%0.282CS..G310 helixtrans-52.4-36.9179.9-31.736.9000114.1K38 E40 Y53 Y80 N82 L86 H87K38-P84 WeakPolarHBondContact O-CD 3.44Å; E40-P84 HydrophobicContact CB-CB 4.3Å; E40-P84 HydrophobicContact CB-CG 3.99Å; Y53-P84 WeakPolarHBondContact CB-O 3.47Å; Y53-P84 HydrophobicContact CD1-CB 4.33Å; Y53-P84 CarbonylContact O-C 3.58Å; Y80-P84 HydrophobicContact CD2-CG 3.8Å; Y80-P84 HydrophobicContact CG-CG 4.27Å; N82-P84 VanDerWaalsContact O-CD 3.25Å; N82-P84 WeakPolarHBondContact O-CD 3.21Å; P84-L86 PolarHBondContact O-N 2.89Å; P84-H87 VanDerWaalsContact O-CB 3.26Å; P84-H87 WeakPolarHBondContact O-CB 3.33Å; P84-H87 PolarHBondContact O-N 3.1Å; P84-H87 PolarHBondContact O-ND1 3.26Å
85R95.2Very high93.9Very high114 Ų11453.5 Ų53.543%0.4329%0.288SS..G310 helixtrans-58.1-21.9177.971.3-175.6-179.4-171.5-4.3113.9Y53 S55 D57 A83Y53-R85 WeakPolarHBondContact O-CA 3.48Å; Y53-R85 PolarHBondContact O-N 3.31Å; S55-R85 WeakPolarHBondContact OG-CG 2.79Å; S55-R85 PolarHBondContact OG-N 2.9Å; D57-R85 VanDerWaalsContact CG-NH2 3.26Å; D57-R85 IonicContact OD1-CZ 2.71Å; D57-R85 IonicContact OD1-NH1 3.96Å; D57-R85 IonicContact OD1-NH2 3.03Å; D57-R85 PolarHBondContact OD1-NH2 3.37Å; D57-R85 IonicContact OD2-CZ 3.21Å; D57-R85 VanDerWaalsContact OD2-CZ 3.23Å; D57-R85 IonicContact OD2-NH1 3.71Å; D57-R85 PolarHBondContact OD2-NH1 3.07Å; D57-R85 IonicContact OD2-NH2 2.74Å; D57-R85 PolarHBondContact OD2-NH2 2.77Å; A83-R85 HydrophobicContact CB-CG 4.29Å; A83-R85 PolarHBondContact O-N 2.94Å; A83-R85 VanDerWaalsContact O-N 3.14Å
86L94.6Very high93.6Very high79 Ų7959.7 Ų59.741%0.41431%0.314SS..G310 helixtrans-91.25.6178.3-56.8-179.8000113.5A83 P84 R88 S89 I90A83-L86 HydrophobicContact CB-CD1 4.12Å; A83-L86 HydrophobicContact CB-CG 4.15Å; A83-L86 WeakPolarHBondContact O-CB 3.45Å; A83-L86 PolarHBondContact O-N 3.17Å; P84-L86 PolarHBondContact O-N 2.89Å; L86-R88 PolarHBondContact O-N 3.22Å; L86-S89 PolarHBondContact O-N 2.98Å; L86-I90 HydrophobicContact CB-CG2 4.43Å; L86-I90 PolarHBondContact O-N 3.46Å
87H93.8Very high93.5Very high55 Ų5561.9 Ų61.926%0.25533%0.329SS..THydrogen-bonded Turntrans-52.7-26.1-174.770.9-78.4000115Y53 P84 L95Y53-H87 WeakPolarHBondContact CB-ND1 3.5Å; Y53-H87 AromaticContact CD2-CD2 3.82Å; Y53-H87 AromaticContact CD2-CG 3.92Å; Y53-H87 AromaticContact CD2-NE2 3.91Å; Y53-H87 HydrophobicContact CG-CB 4.36Å; Y53-H87 AromaticContact CG-CG 3.99Å; Y53-H87 AromaticContact CG-ND1 3.96Å; P84-H87 VanDerWaalsContact O-CB 3.26Å; P84-H87 WeakPolarHBondContact O-CB 3.33Å; P84-H87 PolarHBondContact O-N 3.1Å; P84-H87 PolarHBondContact O-ND1 3.26Å; H87-L95 HydrophobicContact CB-CD2 3.58Å
88R93.1Very high93.3Very high220 Ų22066.3 Ų66.383%0.8335%0.349SS*.THydrogen-bonded Turntrans-81.8-21.4177.3-58.9-172.6-178.4175.4-2.3113.7L86L86-R88 PolarHBondContact O-N 3.22Å
89S93.5Very high93.3Very high106 Ų10667.3 Ų67.374%0.74135%0.353SS*.THydrogen-bonded Turntrans-102-5.1-175-51.90000113.2L86L86-S89 PolarHBondContact O-N 2.98Å
90I91.1Very high93.3Very high48 Ų4867.3 Ų67.325%0.24635%0.353CS..SBendtrans-120.3157.7179.566.5179.4000110.3N82 L86 L95N82-I90 HydrophobicContact CB-CD1 3.66Å; L86-I90 HydrophobicContact CB-CG2 4.43Å; L86-I90 PolarHBondContact O-N 3.46Å; I90-L95 HydrophobicContact CD1-CB 4.03Å; I90-L95 HydrophobicContact CD1-CD1 4.13Å
91L91Very high93.4Very high126 Ų12667 Ų6766%0.6635%0.352SS*.  trans-61.8140.5171.4-64.5172.1000109.8S93 S94L91-S93 PolarHBondContact O-N 3.24Å; L91-S94 WeakPolarHBondContact O-CA 3.46Å; L91-S94 VanDerWaalsContact O-CB 3.28Å; L91-S94 WeakPolarHBondContact O-CB 3.34Å; L91-S94 PolarHBondContact O-N 3.3Å
92S85.7Confident93.7Very high112 Ų11265.9 Ų65.978%0.78334%0.344SS*.G310 helixtrans-57.8-34.3177.655.20000112.4S94 L95S92-S94 PolarHBondContact O-N 3.39Å; S92-L95 PolarHBondContact O-N 3.44Å; S92-L95 VanDerWaalsContact O-N 3.13Å
93S88.8Confident93.9Very high75 Ų7562.7 Ų62.752%0.52433%0.327SS..G310 helixtrans-63.3-18.7173.556.40000113.8L91 K96L91-S93 PolarHBondContact O-N 3.24Å; S93-K96 WeakPolarHBondContact O-CE 3.36Å
94S90.4Very high94Very high46 Ų4662 Ų6232%0.32232%0.321SS..G310 helixtrans-91.3-4177.4-57.70000113.3S81 N82 L91 S92S81-S94 PolarHBondContact OG-O 2.76Å; N82-S94 PolarHBondContact ND2-O 3.5Å; L91-S94 WeakPolarHBondContact O-CA 3.46Å; L91-S94 VanDerWaalsContact O-CB 3.28Å; L91-S94 WeakPolarHBondContact O-CB 3.34Å; L91-S94 PolarHBondContact O-N 3.3Å; S92-S94 PolarHBondContact O-N 3.39Å
95L92.2Very high94.1Very high25 Ų2563.7 Ų63.713%0.13133%0.33CS..  trans-110.677.6177.2-169.769.3000110Y53 Y80 N82 H87 I90 S92Y53-L95 HydrophobicContact CD1-CD2 4.24Å; Y53-L95 HydrophobicContact CE1-CD2 4.23Å; Y80-L95 HydrophobicContact CD1-CD1 3.75Å; Y80-L95 HydrophobicContact CD1-CD2 4.47Å; Y80-L95 HydrophobicContact CD1-CG 3.58Å; Y80-L95 HydrophobicContact CE1-CG 4.01Å; Y80-L95 HydrophobicContact CG-CD1 3.94Å; Y80-L95 HydrophobicContact CG-CG 4.27Å; N82-L95 HydrophobicContact CB-CD1 4.42Å; N82-L95 WeakPolarHBondContact O-CD1 3.28Å; H87-L95 HydrophobicContact CB-CD2 3.58Å; I90-L95 HydrophobicContact CD1-CB 4.03Å; I90-L95 HydrophobicContact CD1-CD1 4.13Å; S92-L95 PolarHBondContact O-N 3.44Å; S92-L95 VanDerWaalsContact O-N 3.13Å
96K93.8Very high94.2Very high133 Ų13358.3 Ų58.358%0.57831%0.31SS*.  trans-102.3131.1-178.6-61.4-176-176.3-178.20110.1Y80 S81 S93 E98Y80-K96 CarbonylContact C-O 3.48Å; Y80-K96 VanDerWaalsContact CA-O 3.28Å; Y80-K96 WeakPolarHBondContact CA-O 3.18Å; Y80-K96 VanDerWaalsContact CD1-C 3.48Å; S81-K96 PolarHBondContact N-O 3.37Å; S81-K96 PolarHBondContact OG-N 3.24Å; S81-K96 PolarHBondContact OG-O 2.9Å; S93-K96 WeakPolarHBondContact O-CE 3.36Å; K96-E98 PolarHBondContact O-N 3.3Å
97P95.1Very high94.3Very high46 Ų4656.3 Ų56.330%0.29930%0.3SS..EExtended strand (participates in β ladder)trans-66.7125.6170.329.2-32.8000108.8A78 Y80 L332A78-P97 HydrophobicContact CB-CB 3.63Å; Y80-P97 HydrophobicContact CD1-CB 4.33Å; Y80-P97 HydrophobicContact CE1-CB 4.02Å; Y80-P97 HydrophobicContact CE1-CG 4.4Å; P97-L332 HydrophobicContact CB-CB 4.21Å; P97-L332 HydrophobicContact CG-CB 4.29Å
98E94.2Very high94.5Very high94 Ų9453.7 Ų53.744%0.43929%0.288SS..EExtended strand (participates in β ladder)trans-95.3-45.1-177.2-65.4-174.9152.300111.2V79 S81 K96V79-E98 PolarHBondContact O-N 3.11Å; S81-E98 VanDerWaalsContact CA-OE1 3.32Å; S81-E98 WeakPolarHBondContact CA-OE1 3.22Å; S81-E98 WeakPolarHBondContact CB-OE1 3.48Å; K96-E98 PolarHBondContact O-N 3.3Å
99W95.6Very high94.5Very high21 Ų2145.1 Ų45.18%0.0826%0.26CS..EExtended strand (participates in β ladder)trans-159.1157.8-179.754.9-91.9000110.9Y29 V79 R176 H177Y29-W99 HydrophobicContact CD2-CH2 4.04Å; Y29-W99 HydrophobicContact CD2-CZ3 4.16Å; Y29-W99 HydrophobicContact CE2-CH2 4.35Å; Y29-W99 HydrophobicContact CE2-CZ3 4.04Å; V79-W99 HydrophobicContact CB-CD2 3.86Å; V79-W99 HydrophobicContact CB-CE3 4.34Å; V79-W99 HydrophobicContact CB-CG 4.37Å; V79-W99 HydrophobicContact CB-CH2 4.23Å; V79-W99 HydrophobicContact CB-CZ2 3.72Å; V79-W99 HydrophobicContact CG1-CZ2 3.89Å; V79-W99 HydrophobicContact CG2-CD2 3.98Å; V79-W99 HydrophobicContact CG2-CE3 4Å; V79-W99 HydrophobicContact CG2-CH2 3.36Å; V79-W99 HydrophobicContact CG2-CZ2 3.3Å; V79-W99 HydrophobicContact CG2-CZ3 3.73Å; V79-W99 PolarHBondContact N-O 2.87Å; W99-R176 WeakPolarHBondContact CA-O 3.46Å; W99-R176 VanDerWaalsContact CB-O 3.27Å; W99-R176 WeakPolarHBondContact CB-O 3.42Å; W99-R176 HydrophobicContact CE3-CB 4.2Å; W99-R176 HydrophobicContact CE3-CG 4.43Å; W99-H177 AromaticContact CD1-NE2 3.88Å; W99-H177 AromaticContact CG-NE2 3.94Å
100K97Very high94.5Very high1 Ų143.4 Ų43.40%0.00424%0.242CC..  trans-160147.4176.3-168.917663.1700108.7A78 L102 R176 R183 G331 L332 H334A78-K100 HydrophobicContact CB-CB 4.25Å; A78-K100 HydrophobicContact CB-CD 4.47Å; K100-L102 PolarHBondContact O-N 3.02Å; K100-R176 PolarHBondContact N-O 3.31Å; K100-R176 CarbonylContact O-C 3.58Å; K100-R176 VanDerWaalsContact O-CA 3.28Å; K100-R176 WeakPolarHBondContact O-CA 3.34Å; K100-R183 PolarHBondContact O-NH1 3.03Å; K100-R183 PolarHBondContact O-NH2 3.48Å; K100-G331 WeakPolarHBondContact CE-O 3.29Å; K100-L332 HydrophobicContact CB-CD2 4.19Å; K100-L332 WeakPolarHBondContact CD-O 3.34Å; K100-L332 WeakPolarHBondContact CE-O 3.49Å; K100-H334 WeakPolarHBondContact CD-O 3.24Å; K100-H334 VanDerWaalsContact CE-O 3.24Å; K100-H334 WeakPolarHBondContact CE-O 3.2Å
101E98.2Very high94.7Very high0 Ų041.1 Ų41.10%023%0.23CC..  trans-47.2136.5166.8-58.871.2-150.500110Y29 R39 V103 W169 R176 R183Y29-E101 WeakPolarHBondContact CE2-OE1 3.34Å; Y29-E101 VanDerWaalsContact OH-CG 3.24Å; Y29-E101 WeakPolarHBondContact OH-CG 3.21Å; Y29-E101 PolarHBondContact OH-OE1 3.26Å; Y29-E101 VanDerWaalsContact OH-OE1 3.05Å; R39-E101 IonicContact CZ-OE1 3.58Å; R39-E101 IonicContact CZ-OE2 2.77Å; R39-E101 IonicContact NH1-OE1 2.91Å; R39-E101 IonicContact NH1-OE2 2.89Å; R39-E101 PolarHBondContact NH1-OE2 3.49Å; R39-E101 IonicContact NH2-OE1 3.5Å; R39-E101 PolarHBondContact NH2-OE1 3.3Å; R39-E101 IonicContact NH2-OE2 2.77Å; E101-V103 HydrophobicContact CB-CG1 4.36Å; E101-W169 HydrophobicContact CB-CE3 3.96Å; E101-W169 HydrophobicContact CG-CE3 4.33Å; E101-R176 HydrophobicContact CG-CG 4.26Å; E101-R183 PolarHBondContact O-NH1 3.36Å
102L98.5Very high94.8Very high0 Ų037.3 Ų37.30%021%0.211CC..EExtended strand (participates in β ladder)trans-71.7132.2167.2167.769.3000106.9K100 F104 F153 V170 A175 L178 R183 I186K100-L102 PolarHBondContact O-N 3.02Å; L102-F104 HydrophobicContact CD1-CE2 4.41Å; L102-F104 HydrophobicContact CD1-CZ 4.19Å; L102-F104 HydrophobicContact CD2-CE2 3.9Å; L102-F104 HydrophobicContact CD2-CZ 3.89Å; L102-F104 HydrophobicContact CG-CE2 3.83Å; L102-F104 HydrophobicContact CG-CZ 4.02Å; L102-F153 HydrophobicContact CD2-CE2 4.28Å; L102-V170 HydrophobicContact CB-CB 4.01Å; L102-V170 HydrophobicContact CB-CG2 4.23Å; L102-V170 HydrophobicContact CD2-CG2 4.15Å; L102-V170 HydrophobicContact CG-CB 4.46Å; L102-V170 HydrophobicContact CG-CG2 4.14Å; L102-V170 PolarHBondContact N-O 3.12Å; L102-V170 WeakPolarHBondContact O-CB 3.4Å; L102-V170 WeakPolarHBondContact O-CG2 3.49Å; L102-V170 PolarHBondContact O-N 2.96Å; L102-A175 HydrophobicContact CB-CB 4.34Å; L102-L178 HydrophobicContact CD2-CD1 4.29Å; L102-R183 HydrophobicContact CD1-CG 4.25Å; L102-I186 HydrophobicContact CD2-CD1 3.99Å; L102-I186 HydrophobicContact CD2-CG2 4.11Å
103V98.6Very high95.1Very high0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-130.8149.2-171.4-66.90000111.5E101 C168 W169 V328 S329 L336E101-V103 HydrophobicContact CB-CG1 4.36Å; V103-C168 CarbonylContact C-O 3.59Å; V103-C168 WeakPolarHBondContact CA-O 3.32Å; V103-W169 HydrophobicContact CG1-CD2 3.74Å; V103-W169 HydrophobicContact CG1-CE3 3.42Å; V103-W169 VanDerWaalsContact CG1-CE3 3.42Å; V103-W169 HydrophobicContact CG1-CG 4.27Å; V103-W169 HydrophobicContact CG1-CH2 4.37Å; V103-W169 HydrophobicContact CG1-CZ3 3.77Å; V103-V328 HydrophobicContact CG2-CG1 3.91Å; V103-V328 WeakPolarHBondContact CG2-O 3.48Å; V103-S329 VanDerWaalsContact O-CA 3.31Å; V103-S329 WeakPolarHBondContact O-CA 3.45Å; V103-S329 VanDerWaalsContact O-CB 3.29Å; V103-S329 WeakPolarHBondContact O-CB 3.38Å; V103-S329 PolarHBondContact O-OG 2.81Å; V103-L336 HydrophobicContact CB-CD2 3.58Å; V103-L336 HydrophobicContact CG1-CD2 3.86Å; V103-L336 HydrophobicContact CG2-CD2 4.03Å
104F98.3Very high95.2Very high0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-129.8134.6173.5-59.8-85.3000109.1L102 I143 L147 H167 C168 V170 I186 L190 L324 S329L102-F104 HydrophobicContact CD1-CE2 4.41Å; L102-F104 HydrophobicContact CD1-CZ 4.19Å; L102-F104 HydrophobicContact CD2-CE2 3.9Å; L102-F104 HydrophobicContact CD2-CZ 3.89Å; L102-F104 HydrophobicContact CG-CE2 3.83Å; L102-F104 HydrophobicContact CG-CZ 4.02Å; F104-I143 HydrophobicContact CD2-CG2 4.49Å; F104-L147 HydrophobicContact CD2-CD1 4.06Å; F104-L147 HydrophobicContact CE2-CD1 3.74Å; F104-L147 HydrophobicContact CE2-CD2 3.73Å; F104-L147 HydrophobicContact CE2-CG 4.32Å; F104-L147 HydrophobicContact CZ-CD2 3.95Å; F104-H167 CarbonylContact O-C 3.58Å; F104-H167 VanDerWaalsContact O-CA 3.27Å; F104-H167 WeakPolarHBondContact O-CA 2.97Å; F104-C168 HydrophobicContact CB-CB 4.23Å; F104-C168 HydrophobicContact CD2-CB 4.24Å; F104-C168 PolarHBondContact N-O 3.25Å; F104-C168 PolarHBondContact O-N 3.01Å; F104-V170 HydrophobicContact CD2-CG2 4.36Å; F104-V170 HydrophobicContact CE2-CG2 3.94Å; F104-I186 HydrophobicContact CZ-CG2 4.05Å; F104-L190 HydrophobicContact CE1-CD1 3.61Å; F104-L190 HydrophobicContact CE2-CD1 4.46Å; F104-L190 HydrophobicContact CZ-CD1 3.58Å; F104-L324 HydrophobicContact CD1-CD1 4.27Å; F104-L324 HydrophobicContact CD1-CD2 4.49Å; F104-S329 VanDerWaalsContact CD1-OG 3.31Å; F104-S329 WeakPolarHBondContact CD1-OG 3.34Å
105D97.7Very high95.4Very high36 Ų3629.8 Ų29.819%0.19315%0.15CC..EExtended strand (participates in β ladder)trans-116.1126.9174.1-170.2-1.8000108.8H167 D325 V328 L336D105-H167 IonicContact OD1-CD2 2.78Å; D105-H167 PolarHBondContact OD1-CD2 3.35Å; D105-H167 IonicContact OD1-NE2 3.72Å; D105-H167 PolarHBondContact OD1-NE2 3.37Å; D105-D325 PolarHBondContact O-N 3.06Å; D105-V328 HydrophobicContact CB-CB 4.32Å; D105-V328 HydrophobicContact CB-CG1 4.01Å; D105-V328 HydrophobicContact CB-CG2 4.14Å; D105-L336 HydrophobicContact CB-CD1 4.27Å
106I97.6Very high95.5Very high1 Ų129 Ų291%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-124.1103.4177.6-62.5152.1000106.9Y111 A139 I143 W158 G165 V166 L324I106-Y111 HydrophobicContact CG2-CE2 4.05Å; I106-Y111 WeakPolarHBondContact CG2-OH 3.35Å; I106-A139 HydrophobicContact CD1-CB 3.79Å; I106-A139 HydrophobicContact CG1-CB 4.47Å; I106-A139 HydrophobicContact CG2-CB 3.93Å; I106-I143 HydrophobicContact CD1-CG1 4.45Å; I106-W158 HydrophobicContact CD1-CH2 4.16Å; I106-W158 HydrophobicContact CD1-CZ3 4.03Å; I106-G165 CarbonylContact O-C 3.57Å; I106-G165 WeakPolarHBondContact O-CA 3.24Å; I106-V166 HydrophobicContact CB-CG2 4.05Å; I106-V166 HydrophobicContact CD1-CG2 4.08Å; I106-V166 PolarHBondContact N-O 3.37Å; I106-V166 VanDerWaalsContact N-O 3.08Å; I106-V166 PolarHBondContact O-N 2.68Å; I106-L324 HydrophobicContact CD1-CD2 4.24Å; I106-L324 HydrophobicContact CG1-CD2 3.81Å
107D96.9Very high95.6Very high38 Ų3823.3 Ų23.320%0.20312%0.122CC..EExtended strand (participates in β ladder)trans-101.5136.5171.1-165.6-51.5000109.7T109 D110 Y111 R164D107-T109 PolarHBondContact O-N 3.39Å; D107-T109 VanDerWaalsContact O-N 3.14Å; D107-T109 PolarHBondContact OD1-N 3.45Å; D107-T109 PolarHBondContact OD1-OG1 3.48Å; D107-D110 PolarHBondContact O-N 3.24Å; D107-D110 VanDerWaalsContact O-N 3.17Å; D107-Y111 WeakPolarHBondContact O-CD2 3.32Å; D107-R164 WeakPolarHBondContact OD1-CD 3.44Å; D107-R164 WeakPolarHBondContact OD1-CG 3.38Å; D107-R164 IonicContact OD1-CZ 2.64Å; D107-R164 IonicContact OD1-NE 2.64Å; D107-R164 PolarHBondContact OD1-NE 2.71Å; D107-R164 IonicContact OD2-NE 3.08Å; D107-R164 PolarHBondContact OD2-NE 3.05Å
108L96.4Very high95.6Very high0 Ų021.7 Ų21.70%011%0.112CC..G310 helixtrans-65.5-11.8177.8-67.4178.5000113.6D110 Y111 R115 V128 W133 L135 A136 R164L108-D110 PolarHBondContact O-N 2.87Å; L108-Y111 HydrophobicContact CD2-CD2 4.15Å; L108-Y111 HydrophobicContact CD2-CE2 4.28Å; L108-Y111 HydrophobicContact CD2-CG 4.43Å; L108-Y111 WeakPolarHBondContact O-CB 3.46Å; L108-Y111 PolarHBondContact O-N 3.27Å; L108-Y111 VanDerWaalsContact O-N 3.12Å; L108-R115 VanDerWaalsContact C-CZ 3.49Å; L108-R115 WeakPolarHBondContact O-CD 3.36Å; L108-R115 PolarHBondContact O-NE 2.95Å; L108-R115 PolarHBondContact O-NH2 3.15Å; L108-V128 HydrophobicContact CD1-CB 4.4Å; L108-V128 HydrophobicContact CD1-CG2 3.67Å; L108-W133 HydrophobicContact CD1-CE3 3.9Å; L108-W133 HydrophobicContact CD1-CZ3 4.24Å; L108-L135 HydrophobicContact CD2-CB 3.67Å; L108-L135 HydrophobicContact CD2-CD1 4.39Å; L108-A136 HydrophobicContact CD2-CB 4.21Å; L108-R164 HydrophobicContact CB-CB 4.47Å; L108-R164 VanDerWaalsContact CB-O 3.32Å; L108-R164 WeakPolarHBondContact CB-O 3.46Å; L108-R164 WeakPolarHBondContact CG-O 3.41Å; L108-R164 PolarHBondContact N-O 2.94Å
109T94.4Very high95.5Very high40 Ų4017.7 Ų17.725%0.24510%0.095CC..G310 helixtrans-59.4-30.9169.739.10000113.7D107 Y111 D112D107-T109 PolarHBondContact O-N 3.39Å; D107-T109 VanDerWaalsContact O-N 3.14Å; D107-T109 PolarHBondContact OD1-N 3.45Å; D107-T109 PolarHBondContact OD1-OG1 3.48Å; T109-Y111 PolarHBondContact O-N 3.19Å; T109-D112 VanDerWaalsContact O-CB 3.31Å; T109-D112 WeakPolarHBondContact O-CB 3.44Å; T109-D112 PolarHBondContact O-N 2.85Å
110D93.9Very high95.2Very high69 Ų6924.1 Ų24.137%0.36913%0.127SC..G310 helixtrans-70.6-0.7179.1-57.1-31.8000112.3D107 L108 R323D107-D110 PolarHBondContact O-N 3.24Å; D107-D110 VanDerWaalsContact O-N 3.17Å; L108-D110 PolarHBondContact O-N 2.87Å; D110-R323 HydrophobicContact CB-CB 3.62Å; D110-R323 HydrophobicContact CB-CG 4.32Å
111Y94.4Very high94.7Very high0 Ų028.6 Ų28.60%015%0.147CC..G310 helixtrans-113.15.4178.1-56.8-117000111.4I106 D107 L108 T109 E113 V114 R115 L135 P322 R323I106-Y111 HydrophobicContact CG2-CE2 4.05Å; I106-Y111 WeakPolarHBondContact CG2-OH 3.35Å; D107-Y111 WeakPolarHBondContact O-CD2 3.32Å; L108-Y111 HydrophobicContact CD2-CD2 4.15Å; L108-Y111 HydrophobicContact CD2-CE2 4.28Å; L108-Y111 HydrophobicContact CD2-CG 4.43Å; L108-Y111 WeakPolarHBondContact O-CB 3.46Å; L108-Y111 PolarHBondContact O-N 3.27Å; L108-Y111 VanDerWaalsContact O-N 3.12Å; T109-Y111 PolarHBondContact O-N 3.19Å; Y111-E113 PolarHBondContact O-N 3.21Å; Y111-E113 VanDerWaalsContact O-N 3.09Å; Y111-V114 CarbonylContact O-C 3.4Å; Y111-V114 VanDerWaalsContact O-CG2 3.26Å; Y111-V114 WeakPolarHBondContact O-CG2 3.46Å; Y111-V114 PolarHBondContact O-N 3.32Å; Y111-R115 WeakPolarHBondContact O-CG 3.49Å; Y111-R115 PolarHBondContact O-N 3.18Å; Y111-L135 HydrophobicContact CD1-CB 3.84Å; Y111-L135 HydrophobicContact CD1-CD1 3.53Å; Y111-L135 HydrophobicContact CD1-CD2 3.7Å; Y111-L135 HydrophobicContact CD1-CG 3.87Å; Y111-L135 HydrophobicContact CE1-CB 3.73Å; Y111-L135 HydrophobicContact CE1-CD1 4.3Å; Y111-L135 HydrophobicContact CE1-CD2 3.89Å; Y111-L135 HydrophobicContact CE1-CG 4.17Å; Y111-L135 HydrophobicContact CG-CD1 3.98Å; Y111-P322 WeakPolarHBondContact OH-CA 3.31Å; Y111-R323 VanDerWaalsContact CD1-CD 3.43Å; Y111-R323 HydrophobicContact CE2-CB 4.06Å; Y111-R323 HydrophobicContact CE2-CG 4.43Å; Y111-R323 PolarHBondContact OH-N 2.89Å; Y111-R323 VanDerWaalsContact OH-N 3.16Å
112D93.5Very high94.3Very high47 Ų4730 Ų3025%0.25116%0.157SC..THydrogen-bonded Turntrans-55.5-31.6-173.3-81.6-11.4000113.4T109 V114 R115 G119 E120T109-D112 VanDerWaalsContact O-CB 3.31Å; T109-D112 WeakPolarHBondContact O-CB 3.44Å; T109-D112 PolarHBondContact O-N 2.85Å; D112-V114 VanDerWaalsContact C-N 3.3Å; D112-V114 PolarHBondContact O-N 2.67Å; D112-R115 IonicContact OD1-CZ 3.64Å; D112-R115 IonicContact OD1-NE 3.58Å; D112-R115 PolarHBondContact OD1-NE 2.63Å; D112-R115 IonicContact OD1-NH2 3.59Å; D112-R115 PolarHBondContact OD1-NH2 3.32Å; D112-G119 WeakPolarHBondContact OD1-CA 3.36Å; D112-E120 HydrophobicContact CB-CB 4.35Å; D112-E120 PolarHBondContact O-N 3.03Å
113E91Very high93.8Very high71 Ų7137.3 Ų37.333%0.33220%0.202SC..THydrogen-bonded Turntrans-74.8-16.3177.862.1151.6167.400114.3Y111 K260Y111-E113 PolarHBondContact O-N 3.21Å; Y111-E113 VanDerWaalsContact O-N 3.09Å; E113-K260 PolarHBondContact O-NZ 3.1Å; E113-K260 IonicContact OE2-NZ 2.62Å; E113-K260 PolarHBondContact OE2-NZ 3.17Å
114V92.5Very high93.3Very high1 Ų140.6 Ų40.61%0.00623%0.225CC..THydrogen-bonded Turntrans-120.2-13.9-178.4-67.70000113.8Y111 D112 Y116 Y242 F319Y111-V114 CarbonylContact O-C 3.4Å; Y111-V114 VanDerWaalsContact O-CG2 3.26Å; Y111-V114 WeakPolarHBondContact O-CG2 3.46Å; Y111-V114 PolarHBondContact O-N 3.32Å; D112-V114 VanDerWaalsContact C-N 3.3Å; D112-V114 PolarHBondContact O-N 2.67Å; V114-Y116 VanDerWaalsContact O-CD2 3.26Å; V114-Y116 WeakPolarHBondContact O-CD2 3.36Å; V114-Y116 WeakPolarHBondContact O-CE2 3.18Å; V114-Y242 VanDerWaalsContact C-OH 3.27Å; V114-Y242 PolarHBondContact O-OH 3.2Å; V114-F319 HydrophobicContact CB-CD1 3.92Å; V114-F319 HydrophobicContact CB-CE1 4.35Å; V114-F319 HydrophobicContact CG1-CD1 3.89Å; V114-F319 HydrophobicContact CG1-CE1 4.11Å; V114-F319 HydrophobicContact CG1-CG 4.4Å
115R94.2Very high92.7Very high2 Ų244.1 Ų44.11%0.00826%0.261CS..  trans-99.1101175.278.4-171.9-179.6143.7-5.4110.9L108 Y111 D112 G119 P127 C132 L135L108-R115 VanDerWaalsContact C-CZ 3.49Å; L108-R115 WeakPolarHBondContact O-CD 3.36Å; L108-R115 PolarHBondContact O-NE 2.95Å; L108-R115 PolarHBondContact O-NH2 3.15Å; Y111-R115 WeakPolarHBondContact O-CG 3.49Å; Y111-R115 PolarHBondContact O-N 3.18Å; D112-R115 IonicContact OD1-CZ 3.64Å; D112-R115 IonicContact OD1-NE 3.58Å; D112-R115 PolarHBondContact OD1-NE 2.63Å; D112-R115 IonicContact OD1-NH2 3.59Å; D112-R115 PolarHBondContact OD1-NH2 3.32Å; R115-G119 WeakPolarHBondContact O-CA 3.46Å; R115-G119 PolarHBondContact O-N 2.91Å; R115-P127 PolarHBondContact NH1-O 3.44Å; R115-C132 HydrophobicContact CB-CB 4.07Å; R115-L135 HydrophobicContact CB-CD1 3.99Å
116Y94.3Very high92.6Very high8 Ų844.4 Ų44.43%0.03127%0.266CS..THydrogen-bonded Turntrans-83.9-13.4-174.5-57-90000114.6V114 Q121 Q249 L251 R257 K260V114-Y116 VanDerWaalsContact O-CD2 3.26Å; V114-Y116 WeakPolarHBondContact O-CD2 3.36Å; V114-Y116 WeakPolarHBondContact O-CE2 3.18Å; Y116-Q121 HydrophobicContact CD1-CB 4.25Å; Y116-Q249 HydrophobicContact CD2-CB 4.01Å; Y116-L251 HydrophobicContact CD2-CD2 3.93Å; Y116-L251 HydrophobicContact CE2-CD2 3.5Å; Y116-L251 VanDerWaalsContact CE2-CD2 3.5Å; Y116-R257 HydrophobicContact CD1-CG 3.75Å; Y116-R257 HydrophobicContact CD2-CG 4.2Å; Y116-R257 HydrophobicContact CE1-CB 4.37Å; Y116-R257 HydrophobicContact CE1-CG 3.56Å; Y116-R257 HydrophobicContact CE2-CB 4.32Å; Y116-R257 HydrophobicContact CE2-CG 4.04Å; Y116-R257 HydrophobicContact CG-CG 4.04Å; Y116-K260 WeakPolarHBondContact OH-CD 3.32Å
117C94.9Very high92.4Very high15 Ų1545.8 Ų45.810%0.10128%0.275CS..THydrogen-bonded Turntrans-79.4-25.8177.657.20000114.4S122 S124 C129 R131 C132 Q249C117-S122 VanDerWaalsContact C-OG 3.23Å; C117-S122 WeakPolarHBondContact O-CB 3.19Å; C117-S122 PolarHBondContact O-OG 3.42Å; C117-S124 PolarHBondContact O-OG 2.81Å; C117-S124 VanDerWaalsContact O-OG 3.06Å; C117-C129 PolarHBondContact SG-SG 3.43Å; C117-R131 HydrophobicContact CB-CB 4.12Å; C117-C132 VanDerWaalsContact SG-CB 3.5Å; C117-Q249 PolarHBondContact SG-NE2 2.81Å; C117-Q249 PolarHBondContact SG-OE1 3.02Å
118C96Very high92.4Very high12 Ų1244.3 Ų44.38%0.08127%0.268CS..THydrogen-bonded Turntrans-143.7-7.7-173.7-72.10000114.2S126C118-S126 WeakPolarHBondContact CB-O 3.26Å; C118-S126 PolarHBondContact SG-O 2.97Å; C118-S126 VanDerWaalsContact SG-O 3.35Å
119G92.5Very high92.4Very high9 Ų945.7 Ų45.79%0.09328%0.277CS..SBendtrans-85.7-159.1-178.500000112.3D112 R115 Q121 S122D112-G119 WeakPolarHBondContact OD1-CA 3.36Å; R115-G119 WeakPolarHBondContact O-CA 3.46Å; R115-G119 PolarHBondContact O-N 2.91Å; G119-Q121 PolarHBondContact O-N 3.27Å; G119-Q121 VanDerWaalsContact O-N 3.09Å; G119-S122 WeakPolarHBondContact O-CB 3.43Å; G119-S122 PolarHBondContact O-N 3.43Å
120E87.7Confident92.5Very high157 Ų15748.3 Ų48.373%0.73429%0.289SS*.THydrogen-bonded Turntrans-56.4-33.1-170.4-171.3177.6-167.700113.6D112D112-E120 HydrophobicContact CB-CB 4.35Å; D112-E120 PolarHBondContact O-N 3.03Å
121Q87.5Confident92.6Very high95 Ų9548.6 Ų48.644%0.44429%0.285SS..THydrogen-bonded Turntrans-91.31.9-177.6-61.817848.400113.8Y116 G119Y116-Q121 HydrophobicContact CD1-CB 4.25Å; G119-Q121 PolarHBondContact O-N 3.27Å; G119-Q121 VanDerWaalsContact O-N 3.09Å
122S90.2Very high92.7Very high30 Ų3048.6 Ų48.621%0.2129%0.285CS..  trans-85.6138.9-177.6-174.10000112.2C117 G119 S124C117-S122 VanDerWaalsContact C-OG 3.23Å; C117-S122 WeakPolarHBondContact O-CB 3.19Å; C117-S122 PolarHBondContact O-OG 3.42Å; G119-S122 WeakPolarHBondContact O-CB 3.43Å; G119-S122 PolarHBondContact O-N 3.43Å; S122-S124 PolarHBondContact OG-N 3.11Å; S122-S124 VanDerWaalsContact OG-N 3.12Å; S122-S124 PolarHBondContact OG-OG 3.29Å
123T87.8Confident92.9Very high152 Ų15246.5 Ų46.593%0.93327%0.273SS*.SBendtrans-86.7-6.1170.555.90000113.1G125T123-G125 PolarHBondContact O-N 3.21Å
124S87Confident93.2Very high69 Ų6943.8 Ų43.848%0.48326%0.262SS..SBendtrans-74-25.8-174.673.80000113.6C117 S122 S126C117-S124 PolarHBondContact O-OG 2.81Å; C117-S124 VanDerWaalsContact O-OG 3.06Å; S122-S124 PolarHBondContact OG-N 3.11Å; S122-S124 VanDerWaalsContact OG-N 3.12Å; S122-S124 PolarHBondContact OG-OG 3.29Å; S124-S126 PolarHBondContact O-N 2.8Å; S124-S126 PolarHBondContact OG-N 3.22Å
125G87.5Confident93.4Very high74 Ų7443.7 Ų43.776%0.76326%0.261SS*.  trans63.61-171.600000114.6T123T123-G125 PolarHBondContact O-N 3.21Å
126S93.9Very high93.6Very high42 Ų4243.7 Ų43.729%0.29426%0.261SS..  trans-75.5131.9-176.6-174.30000110.7C118 S124 V128C118-S126 WeakPolarHBondContact CB-O 3.26Å; C118-S126 PolarHBondContact SG-O 2.97Å; C118-S126 VanDerWaalsContact SG-O 3.35Å; S124-S126 PolarHBondContact O-N 2.8Å; S124-S126 PolarHBondContact OG-N 3.22Å; S126-V128 PolarHBondContact O-N 3.32Å; S126-V128 PolarHBondContact OG-O 2.9Å
127P94.7Very high93.8Very high31 Ų3145.3 Ų45.320%0.20127%0.268CS..SBendtrans-66.4-23.3-179.226.9-35.3000113.9R115 R163R115-P127 PolarHBondContact NH1-O 3.44Å; P127-R163 HydrophobicContact CB-CG 4.4Å; P127-R163 HydrophobicContact CG-CG 4.37Å
128V96.9Very high94Very high7 Ų744.8 Ų44.84%0.04226%0.264CS..  trans-159.9153.6-178.262.40000110.1L108 S126 W133 R163 R164 F364L108-V128 HydrophobicContact CD1-CB 4.4Å; L108-V128 HydrophobicContact CD1-CG2 3.67Å; S126-V128 PolarHBondContact O-N 3.32Å; S126-V128 PolarHBondContact OG-O 2.9Å; V128-W133 HydrophobicContact CG2-CE3 3.76Å; V128-W133 HydrophobicContact CG2-CZ3 4.43Å; V128-R163 WeakPolarHBondContact CG1-O 3.18Å; V128-R164 HydrophobicContact CB-CB 3.96Å; V128-R164 HydrophobicContact CG1-CB 4.35Å; V128-F364 HydrophobicContact CG1-CZ 4.13Å
129C96.5Very high94.1Very high28 Ų2844.2 Ų44.219%0.18926%0.26CS..  trans-149.6172.5166.572.10000110.1C117 R131 C132 W133C117-C129 PolarHBondContact SG-SG 3.43Å; C129-R131 PolarHBondContact O-N 3.43Å; C129-R131 PolarHBondContact SG-N 2.67Å; C129-R131 VanDerWaalsContact SG-N 3.45Å; C129-C132 PolarHBondContact N-SG 2.87Å; C129-C132 PolarHBondContact O-N 2.88Å; C129-C132 VanDerWaalsContact O-N 3.15Å; C129-C132 PolarHBondContact O-SG 2.91Å; C129-C132 VanDerWaalsContact O-SG 3.39Å; C129-W133 PolarHBondContact O-N 3.49Å
130L95.4Very high94.4Very high96 Ų9643.8 Ų43.850%0.50326%0.256SS..THydrogen-bonded Turntrans-62.5-15.1179.2-64.8179.7000114.1P134 F364L130-P134 WeakPolarHBondContact O-CD 3.46Å; L130-F364 HydrophobicContact CD2-CD2 3.97Å; L130-F364 HydrophobicContact CD2-CE2 4.19Å; L130-F364 HydrophobicContact CG-CD2 4.22Å; L130-F364 HydrophobicContact CG-CE2 4.21Å
131R95.5Very high94.9Very high75 Ų7538.1 Ų38.128%0.28323%0.23SC..THydrogen-bonded Turntrans-80.7-31176.3-57.4171.363.4163.912.8113.4C117 C129 T245 N247 G248 Q249C117-R131 HydrophobicContact CB-CB 4.12Å; C129-R131 PolarHBondContact O-N 3.43Å; C129-R131 PolarHBondContact SG-N 2.67Å; C129-R131 VanDerWaalsContact SG-N 3.45Å; R131-T245 PolarHBondContact NH2-O 3.13Å; R131-N247 WeakPolarHBondContact CA-O 3.34Å; R131-G248 PolarHBondContact NE-O 3.03Å; R131-G248 PolarHBondContact NH2-O 3.13Å; R131-Q249 VanDerWaalsContact C-NE2 3.34Å; R131-Q249 PolarHBondContact O-NE2 3.46Å
132C97.1Very high95.4Very high0 Ų033.7 Ų33.70%021%0.21CC..THydrogen-bonded Turntrans-101.6-18.717758.40000113.5R115 C117 C129 P134 L135R115-C132 HydrophobicContact CB-CB 4.07Å; C117-C132 VanDerWaalsContact SG-CB 3.5Å; C129-C132 PolarHBondContact N-SG 2.87Å; C129-C132 PolarHBondContact O-N 2.88Å; C129-C132 VanDerWaalsContact O-N 3.15Å; C129-C132 PolarHBondContact O-SG 2.91Å; C129-C132 VanDerWaalsContact O-SG 3.39Å; C132-P134 VanDerWaalsContact C-N 3.25Å; C132-L135 HydrophobicContact CB-CD1 4.28Å; C132-L135 WeakPolarHBondContact O-CB 3.46Å; C132-L135 WeakPolarHBondContact O-CG 3.49Å; C132-L135 PolarHBondContact O-N 3.04Å
133W97.7Very high95.8Very high2 Ų232.3 Ų32.31%0.00820%0.2CC..Hα-helixtrans-54.5-31.2174.6-167.6-116.3000115.3L108 V128 C129 L135 A136 R137 Y160 V166 L361 P363L108-W133 HydrophobicContact CD1-CE3 3.9Å; L108-W133 HydrophobicContact CD1-CZ3 4.24Å; V128-W133 HydrophobicContact CG2-CE3 3.76Å; V128-W133 HydrophobicContact CG2-CZ3 4.43Å; C129-W133 PolarHBondContact O-N 3.49Å; W133-L135 PolarHBondContact O-N 3Å; W133-A136 HydrophobicContact CD2-CB 4.11Å; W133-A136 HydrophobicContact CE3-CB 3.84Å; W133-A136 HydrophobicContact CH2-CB 3.97Å; W133-A136 HydrophobicContact CZ2-CB 4.25Å; W133-A136 HydrophobicContact CZ3-CB 3.76Å; W133-A136 PolarHBondContact O-N 3.19Å; W133-R137 VanDerWaalsContact CD1-NE 3.33Å; W133-R137 PolarHBondContact O-N 3.09Å; W133-Y160 AromaticContact CH2-CD2 3.71Å; W133-Y160 HydrophobicContact CH2-CD2 3.71Å; W133-Y160 AromaticContact CH2-CE2 3.69Å; W133-Y160 HydrophobicContact CH2-CE2 3.69Å; W133-Y160 HydrophobicContact CZ2-CD2 4.25Å; W133-Y160 HydrophobicContact CZ2-CE2 4.38Å; W133-Y160 HydrophobicContact CZ3-CE2 4.26Å; W133-V166 HydrophobicContact CH2-CG1 4.08Å; W133-V166 HydrophobicContact CZ2-CG1 4.4Å; W133-L361 HydrophobicContact CZ2-CD2 3.84Å; W133-L361 HydrophobicContact CZ2-CG 4.11Å; W133-L361 PolarHBondContact NE1-O 3.27Å; W133-P363 HydrophobicContact CB-CG 4.46Å; W133-P363 HydrophobicContact CD2-CB 4.2Å; W133-P363 HydrophobicContact CD2-CG 3.65Å; W133-P363 HydrophobicContact CE3-CB 4.22Å; W133-P363 HydrophobicContact CE3-CG 3.93Å; W133-P363 HydrophobicContact CG-CG 3.88Å; W133-P363 HydrophobicContact CH2-CB 4.23Å; W133-P363 HydrophobicContact CZ2-CB 4.18Å; W133-P363 HydrophobicContact CZ2-CG 4.45Å; W133-P363 HydrophobicContact CZ3-CB 4.25Å; W133-P363 HydrophobicContact CZ3-CG 4.45Å
134P97.2Very high96.3Very high14 Ų1425.3 Ų25.39%0.09116%0.157CC..Hα-helixtrans-52.7-26.4171.4-31.237.4000114.3L130 C132 R137 S138L130-P134 WeakPolarHBondContact O-CD 3.46Å; C132-P134 VanDerWaalsContact C-N 3.25Å; P134-R137 PolarHBondContact O-N 3.42Å; P134-S138 WeakPolarHBondContact O-CB 3.42Å; P134-S138 PolarHBondContact O-N 3.41Å; P134-S138 PolarHBondContact O-OG 2.87Å
135L97.9Very high96.9Very high0 Ų023.2 Ų23.20%014%0.138CC..Hα-helixtrans-63.6-44.8174.2-67.8167.2000112.1L108 Y111 R115 C132 W133 R137 S138 A139 Y242 F319 T320L108-L135 HydrophobicContact CD2-CB 3.67Å; L108-L135 HydrophobicContact CD2-CD1 4.39Å; Y111-L135 HydrophobicContact CD1-CB 3.84Å; Y111-L135 HydrophobicContact CD1-CD1 3.53Å; Y111-L135 HydrophobicContact CD1-CD2 3.7Å; Y111-L135 HydrophobicContact CD1-CG 3.87Å; Y111-L135 HydrophobicContact CE1-CB 3.73Å; Y111-L135 HydrophobicContact CE1-CD1 4.3Å; Y111-L135 HydrophobicContact CE1-CD2 3.89Å; Y111-L135 HydrophobicContact CE1-CG 4.17Å; Y111-L135 HydrophobicContact CG-CD1 3.98Å; R115-L135 HydrophobicContact CB-CD1 3.99Å; C132-L135 HydrophobicContact CB-CD1 4.28Å; C132-L135 WeakPolarHBondContact O-CB 3.46Å; C132-L135 WeakPolarHBondContact O-CG 3.49Å; C132-L135 PolarHBondContact O-N 3.04Å; W133-L135 PolarHBondContact O-N 3Å; L135-R137 VanDerWaalsContact C-N 3.35Å; L135-S138 PolarHBondContact O-N 2.67Å; L135-A139 WeakPolarHBondContact O-CB 3.36Å; L135-A139 PolarHBondContact O-N 3.03Å; L135-Y242 HydrophobicContact CD1-CE2 3.73Å; L135-Y242 HydrophobicContact CD2-CD2 3.93Å; L135-Y242 HydrophobicContact CD2-CE2 3.44Å; L135-Y242 VanDerWaalsContact CD2-CE2 3.44Å; L135-Y242 HydrophobicContact CG-CD2 4.09Å; L135-Y242 HydrophobicContact CG-CE2 3.56Å; L135-F319 WeakPolarHBondContact CD2-O 3.32Å; L135-T320 HydrophobicContact CD2-CG2 4.21Å
136A98.1Very high97.4Very high1 Ų119.7 Ų19.71%0.00810%0.102CC..Hα-helixtrans-64.3-41.9176.600000110.9L108 W133 A139 V140L108-A136 HydrophobicContact CD2-CB 4.21Å; W133-A136 HydrophobicContact CD2-CB 4.11Å; W133-A136 HydrophobicContact CE3-CB 3.84Å; W133-A136 HydrophobicContact CH2-CB 3.97Å; W133-A136 HydrophobicContact CZ2-CB 4.25Å; W133-A136 HydrophobicContact CZ3-CB 3.76Å; W133-A136 PolarHBondContact O-N 3.19Å; A136-A139 WeakPolarHBondContact O-CB 3.34Å; A136-A139 PolarHBondContact O-N 2.8Å; A136-V140 WeakPolarHBondContact O-CG2 3.46Å; A136-V140 PolarHBondContact O-N 2.92Å
137R98.2Very high97.6Very high43 Ų4317.7 Ų17.716%0.1629%0.088CC..Hα-helixtrans-62.2-46.1176.6-59.1-179.2170.8163.16.3112.2W133 P134 L135 A139 V140 L141 V358 D359 L361W133-R137 VanDerWaalsContact CD1-NE 3.33Å; W133-R137 PolarHBondContact O-N 3.09Å; P134-R137 PolarHBondContact O-N 3.42Å; L135-R137 VanDerWaalsContact C-N 3.35Å; R137-A139 VanDerWaalsContact C-N 3.28Å; R137-A139 PolarHBondContact O-N 2.62Å; R137-V140 PolarHBondContact O-N 3.39Å; R137-L141 WeakPolarHBondContact O-CG 3.32Å; R137-L141 PolarHBondContact O-N 3.45Å; R137-L141 VanDerWaalsContact O-N 3.16Å; R137-V358 HydrophobicContact CB-CG1 4.42Å; R137-V358 HydrophobicContact CB-CG2 4.14Å; R137-V358 HydrophobicContact CG-CG2 4.09Å; R137-V358 PolarHBondContact NE-O 3.5Å; R137-D359 WeakPolarHBondContact CD-OD1 3.41Å; R137-D359 PolarHBondContact NH1-O 3.22Å; R137-D359 IonicContact NH1-OD1 3.25Å; R137-D359 PolarHBondContact NH2-O 3.18Å; R137-L361 PolarHBondContact NE-O 2.92Å; R137-L361 PolarHBondContact NH2-O 3.43Å
138S98.2Very high97.8Very high3 Ų320.2 Ų20.22%0.0219%0.093CC..Hα-helixtrans-57.8-42.8173.9-66.50000111.5P134 L135 L141 C142 R238P134-S138 WeakPolarHBondContact O-CB 3.42Å; P134-S138 PolarHBondContact O-N 3.41Å; P134-S138 PolarHBondContact O-OG 2.87Å; L135-S138 PolarHBondContact O-N 2.67Å; S138-L141 PolarHBondContact O-N 3.3Å; S138-C142 PolarHBondContact O-N 3.13Å; S138-C142 PolarHBondContact O-SG 3.13Å; S138-C142 VanDerWaalsContact O-SG 3.37Å; S138-R238 WeakPolarHBondContact OG-CD 3.37Å; S138-R238 PolarHBondContact OG-NH1 3.34Å
139A98.3Very high97.9Very high0 Ų026.4 Ų26.40%012%0.122CC..Hα-helixtrans-63.2-44.3179.200000112.5I106 L135 A136 R137 L141 C142 I143 P322I106-A139 HydrophobicContact CD1-CB 3.79Å; I106-A139 HydrophobicContact CG1-CB 4.47Å; I106-A139 HydrophobicContact CG2-CB 3.93Å; L135-A139 WeakPolarHBondContact O-CB 3.36Å; L135-A139 PolarHBondContact O-N 3.03Å; A136-A139 WeakPolarHBondContact O-CB 3.34Å; A136-A139 PolarHBondContact O-N 2.8Å; R137-A139 VanDerWaalsContact C-N 3.28Å; R137-A139 PolarHBondContact O-N 2.62Å; A139-L141 PolarHBondContact O-N 2.91Å; A139-C142 PolarHBondContact O-N 3.48Å; A139-I143 WeakPolarHBondContact O-CB 3.31Å; A139-I143 VanDerWaalsContact O-CG1 3.28Å; A139-I143 WeakPolarHBondContact O-CG1 3.17Å; A139-I143 PolarHBondContact O-N 3.02Å; A139-P322 HydrophobicContact CB-CB 3.85Å; A139-P322 HydrophobicContact CB-CG 4.13Å
140V98.7Very high97.9Very high0 Ų027.9 Ų27.90%013%0.128CC..Hα-helixtrans-56.1-50.2173.8173.60000110.9A136 R137 C142 I143 D144 W158 V166 F353 P355 V358A136-V140 WeakPolarHBondContact O-CG2 3.46Å; A136-V140 PolarHBondContact O-N 2.92Å; R137-V140 PolarHBondContact O-N 3.39Å; V140-C142 PolarHBondContact O-N 2.79Å; V140-I143 PolarHBondContact O-N 3.19Å; V140-D144 WeakPolarHBondContact O-CB 3.49Å; V140-D144 PolarHBondContact O-N 2.82Å; V140-W158 HydrophobicContact CB-CE3 4.38Å; V140-W158 HydrophobicContact CB-CH2 4.4Å; V140-W158 HydrophobicContact CB-CZ3 4.31Å; V140-W158 HydrophobicContact CG1-CD2 3.9Å; V140-W158 HydrophobicContact CG1-CE3 4.21Å; V140-W158 HydrophobicContact CG1-CG 4.27Å; V140-W158 HydrophobicContact CG1-CZ2 4.26Å; V140-W158 HydrophobicContact CG2-CD2 4.26Å; V140-W158 HydrophobicContact CG2-CE3 3.72Å; V140-W158 HydrophobicContact CG2-CH2 4.32Å; V140-W158 HydrophobicContact CG2-CZ3 3.76Å; V140-V166 HydrophobicContact CG2-CB 4.39Å; V140-V166 HydrophobicContact CG2-CG1 4.41Å; V140-V166 HydrophobicContact CG2-CG2 3.84Å; V140-F353 HydrophobicContact CG1-CE2 4.28Å; V140-F353 HydrophobicContact CG2-CE2 4.33Å; V140-F353 HydrophobicContact CG2-CZ 4.03Å; V140-P355 HydrophobicContact CG1-CB 3.74Å; V140-V358 HydrophobicContact CB-CB 4.48Å; V140-V358 HydrophobicContact CB-CG2 3.87Å; V140-V358 HydrophobicContact CG1-CB 4.17Å; V140-V358 HydrophobicContact CG1-CG1 4.43Å; V140-V358 HydrophobicContact CG1-CG2 3.98Å; V140-V358 HydrophobicContact CG2-CG2 3.88Å
141L98.5Very high98.1Very high39 Ų3926.5 Ų26.520%0.20412%0.118CC..Hα-helixtrans-64.1-43.9-176.3-66.9171.7000112.5R137 S138 A139 R145 I234 V358R137-L141 WeakPolarHBondContact O-CG 3.32Å; R137-L141 PolarHBondContact O-N 3.45Å; R137-L141 VanDerWaalsContact O-N 3.16Å; S138-L141 PolarHBondContact O-N 3.3Å; A139-L141 PolarHBondContact O-N 2.91Å; L141-R145 WeakPolarHBondContact O-CB 3.37Å; L141-R145 PolarHBondContact O-N 2.7Å; L141-R145 VanDerWaalsContact O-N 3.11Å; L141-I234 HydrophobicContact CB-CG2 3.92Å; L141-I234 HydrophobicContact CD1-CG2 4.27Å; L141-V358 HydrophobicContact CD1-CG1 4.25Å; L141-V358 HydrophobicContact CD2-CG1 3.76Å; L141-V358 HydrophobicContact CG-CG1 3.81Å
142C98.4Very high98.2Very high2 Ų225.2 Ų25.21%0.01413%0.128CC..Hα-helixtrans-65.1-45.6179.2-68.50000112S138 A139 V140 A146 Y321 P322S138-C142 PolarHBondContact O-N 3.13Å; S138-C142 PolarHBondContact O-SG 3.13Å; S138-C142 VanDerWaalsContact O-SG 3.37Å; A139-C142 PolarHBondContact O-N 3.48Å; V140-C142 PolarHBondContact O-N 2.79Å; C142-A146 WeakPolarHBondContact O-CB 3.41Å; C142-A146 PolarHBondContact O-N 2.64Å; C142-A146 VanDerWaalsContact O-N 3.11Å; C142-Y321 HydrophobicContact CB-CE2 4.28Å; C142-P322 HydrophobicContact CB-CG 3.77Å
143I98.5Very high98.3Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-75.1-41.5-177.1-60.5-58.5000111.5F104 I106 A139 V140 R145 A146 L147 W158 L190 P322 L324F104-I143 HydrophobicContact CD2-CG2 4.49Å; I106-I143 HydrophobicContact CD1-CG1 4.45Å; A139-I143 WeakPolarHBondContact O-CB 3.31Å; A139-I143 VanDerWaalsContact O-CG1 3.28Å; A139-I143 WeakPolarHBondContact O-CG1 3.17Å; A139-I143 PolarHBondContact O-N 3.02Å; V140-I143 PolarHBondContact O-N 3.19Å; I143-R145 VanDerWaalsContact C-N 3.35Å; I143-R145 PolarHBondContact O-N 3.24Å; I143-A146 PolarHBondContact O-N 3.36Å; I143-L147 HydrophobicContact CG2-CD1 3.66Å; I143-L147 HydrophobicContact CG2-CG 4.1Å; I143-L147 WeakPolarHBondContact O-CB 3.47Å; I143-L147 VanDerWaalsContact O-CG 3.23Å; I143-L147 WeakPolarHBondContact O-CG 3.2Å; I143-L147 PolarHBondContact O-N 2.8Å; I143-W158 HydrophobicContact CB-CH2 3.83Å; I143-W158 HydrophobicContact CB-CZ2 3.99Å; I143-W158 HydrophobicContact CG2-CH2 3.85Å; I143-W158 HydrophobicContact CG2-CZ2 3.92Å; I143-L190 HydrophobicContact CD1-CB 4.17Å; I143-L190 HydrophobicContact CD1-CD1 4.41Å; I143-L190 HydrophobicContact CD1-CD2 4.31Å; I143-P322 HydrophobicContact CD1-CB 4.02Å; I143-P322 HydrophobicContact CD1-CG 3.78Å; I143-P322 HydrophobicContact CG1-CB 3.96Å; I143-P322 HydrophobicContact CG1-CG 3.77Å; I143-L324 HydrophobicContact CD1-CD1 4.07Å; I143-L324 HydrophobicContact CD1-CD2 4.04Å; I143-L324 HydrophobicContact CG1-CD2 4.22Å
144D98.8Very high98.3Very high5 Ų532.1 Ų32.13%0.02716%0.16CC..Hα-helixtrans-60.8-45.2176.6-16982.4000110.7V140 L147 R148 L156 W158 P355V140-D144 WeakPolarHBondContact O-CB 3.49Å; V140-D144 PolarHBondContact O-N 2.82Å; D144-L147 PolarHBondContact O-N 2.75Å; D144-R148 WeakPolarHBondContact O-CB 3.37Å; D144-R148 VanDerWaalsContact O-CG 3.27Å; D144-R148 WeakPolarHBondContact O-CG 3.27Å; D144-R148 PolarHBondContact O-N 3.45Å; D144-R148 IonicContact OD1-CZ 2.83Å; D144-R148 IonicContact OD1-NE 3.91Å; D144-R148 PolarHBondContact OD1-NE 3.49Å; D144-R148 IonicContact OD1-NH2 2.76Å; D144-R148 PolarHBondContact OD1-NH2 2.95Å; D144-R148 WeakPolarHBondContact OD2-CD 3.44Å; D144-R148 IonicContact OD2-CZ 2.81Å; D144-R148 IonicContact OD2-NE 2.98Å; D144-R148 PolarHBondContact OD2-NE 2.64Å; D144-R148 IonicContact OD2-NH2 3.38Å; D144-L156 VanDerWaalsContact OD1-CD1 3.31Å; D144-L156 WeakPolarHBondContact OD1-CD1 3.42Å; D144-W158 HydrophobicContact CB-CZ2 4.06Å; D144-W158 PolarHBondContact OD1-NE1 3.49Å; D144-P355 HydrophobicContact CB-CB 4.38Å; D144-P355 WeakPolarHBondContact OD1-CG 3.17Å
145R98.4Very high98.3Very high26 Ų2632.5 Ų32.510%0.09816%0.161CC..Hα-helixtrans-56.2-55.1173.9-173.5-146.663.773.82.4111.1L141 I143 L147 R148 E149 D150 A230 I234L141-R145 WeakPolarHBondContact O-CB 3.37Å; L141-R145 PolarHBondContact O-N 2.7Å; L141-R145 VanDerWaalsContact O-N 3.11Å; I143-R145 VanDerWaalsContact C-N 3.35Å; I143-R145 PolarHBondContact O-N 3.24Å; R145-L147 PolarHBondContact O-N 2.78Å; R145-R148 PolarHBondContact O-N 2.84Å; R145-E149 WeakPolarHBondContact CD-OE2 3.15Å; R145-E149 HydrophobicContact CG-CG 4.17Å; R145-E149 WeakPolarHBondContact CG-OE1 3.22Å; R145-E149 WeakPolarHBondContact CG-OE2 3.34Å; R145-E149 IonicContact CZ-OE2 2.72Å; R145-E149 IonicContact NH1-OE2 3.57Å; R145-E149 PolarHBondContact NH1-OE2 3.31Å; R145-E149 WeakPolarHBondContact O-CB 3.48Å; R145-E149 PolarHBondContact O-N 3.38Å; R145-D150 IonicContact CZ-OD1 2.79Å; R145-D150 IonicContact CZ-OD2 3.49Å; R145-D150 IonicContact NH1-OD1 2.78Å; R145-D150 PolarHBondContact NH1-OD1 3.09Å; R145-D150 IonicContact NH1-OD2 2.98Å; R145-D150 IonicContact NH2-OD1 3.31Å; R145-D150 PolarHBondContact NH2-OD1 3.25Å; R145-D150 IonicContact NH2-OD2 2.92Å; R145-D150 PolarHBondContact NH2-OD2 3.29Å; R145-A230 VanDerWaalsContact CZ-CB 3.49Å; R145-I234 HydrophobicContact CB-CD1 4.15Å; R145-I234 HydrophobicContact CG-CD1 4.42Å
146A98.5Very high98.4Very high0 Ų032.5 Ų32.50%016%0.161CC..Iπ-helixtrans-61.3-43.6-176.300000112.2C142 I143 R148 D150 F151 L190C142-A146 WeakPolarHBondContact O-CB 3.41Å; C142-A146 PolarHBondContact O-N 2.64Å; C142-A146 VanDerWaalsContact O-N 3.11Å; I143-A146 PolarHBondContact O-N 3.36Å; A146-R148 VanDerWaalsContact C-N 3.3Å; A146-R148 PolarHBondContact O-N 2.72Å; A146-D150 WeakPolarHBondContact CA-OD2 3.41Å; A146-D150 WeakPolarHBondContact CB-OD2 3.44Å; A146-D150 WeakPolarHBondContact O-CA 3.41Å; A146-D150 WeakPolarHBondContact O-CB 3.49Å; A146-D150 PolarHBondContact O-N 3.32Å; A146-F151 WeakPolarHBondContact O-CD2 3.23Å; A146-F151 PolarHBondContact O-N 3.44Å; A146-L190 HydrophobicContact CB-CD2 3.37Å
147L98.7Very high98.4Very high0 Ų032.5 Ų32.50%016%0.161CC..Iπ-helixtrans-62.9-35.5177.3-69.1173.5000112.7F104 I143 D144 R145 F151 G152 F153 L156 V170 I186 L190F104-L147 HydrophobicContact CD2-CD1 4.06Å; F104-L147 HydrophobicContact CE2-CD1 3.74Å; F104-L147 HydrophobicContact CE2-CD2 3.73Å; F104-L147 HydrophobicContact CE2-CG 4.32Å; F104-L147 HydrophobicContact CZ-CD2 3.95Å; I143-L147 HydrophobicContact CG2-CD1 3.66Å; I143-L147 HydrophobicContact CG2-CG 4.1Å; I143-L147 WeakPolarHBondContact O-CB 3.47Å; I143-L147 VanDerWaalsContact O-CG 3.23Å; I143-L147 WeakPolarHBondContact O-CG 3.2Å; I143-L147 PolarHBondContact O-N 2.8Å; D144-L147 PolarHBondContact O-N 2.75Å; R145-L147 PolarHBondContact O-N 2.78Å; L147-F151 HydrophobicContact CD2-CD2 4.36Å; L147-F151 WeakPolarHBondContact O-CB 3.33Å; L147-G152 PolarHBondContact O-N 3.48Å; L147-F153 HydrophobicContact CB-CD2 4.3Å; L147-F153 HydrophobicContact CD2-CD2 3.91Å; L147-F153 HydrophobicContact CD2-CE2 4.21Å; L147-F153 WeakPolarHBondContact O-CB 3.47Å; L147-F153 PolarHBondContact O-N 2.83Å; L147-L156 HydrophobicContact CB-CD1 3.68Å; L147-L156 HydrophobicContact CB-CD2 4.22Å; L147-L156 HydrophobicContact CD1-CD1 4.14Å; L147-L156 HydrophobicContact CD1-CD2 4.12Å; L147-V170 HydrophobicContact CD1-CG2 3.93Å; L147-V170 HydrophobicContact CD2-CG2 4.45Å; L147-I186 HydrophobicContact CD2-CG2 4.48Å; L147-L190 HydrophobicContact CD2-CD1 4.02Å
148R98.4Very high98.4Very high83 Ų8330.4 Ų30.431%0.31315%0.153SC..Iπ-helixtrans-80.2-50.9179.1-69.7-179.9-172.5-68.5-6.3113.2D144 R145 A146 G152 F153 Q154 L156D144-R148 WeakPolarHBondContact O-CB 3.37Å; D144-R148 VanDerWaalsContact O-CG 3.27Å; D144-R148 WeakPolarHBondContact O-CG 3.27Å; D144-R148 PolarHBondContact O-N 3.45Å; D144-R148 IonicContact OD1-CZ 2.83Å; D144-R148 IonicContact OD1-NE 3.91Å; D144-R148 PolarHBondContact OD1-NE 3.49Å; D144-R148 IonicContact OD1-NH2 2.76Å; D144-R148 PolarHBondContact OD1-NH2 2.95Å; D144-R148 WeakPolarHBondContact OD2-CD 3.44Å; D144-R148 IonicContact OD2-CZ 2.81Å; D144-R148 IonicContact OD2-NE 2.98Å; D144-R148 PolarHBondContact OD2-NE 2.64Å; D144-R148 IonicContact OD2-NH2 3.38Å; R145-R148 PolarHBondContact O-N 2.84Å; A146-R148 VanDerWaalsContact C-N 3.3Å; A146-R148 PolarHBondContact O-N 2.72Å; R148-G152 WeakPolarHBondContact O-CA 3.49Å; R148-G152 PolarHBondContact O-N 3.34Å; R148-G152 VanDerWaalsContact O-N 3.12Å; R148-F153 WeakPolarHBondContact CA-O 3.21Å; R148-F153 WeakPolarHBondContact CG-O 3.28Å; R148-Q154 PolarHBondContact NH1-O 3.09Å; R148-L156 HydrophobicContact CG-CD1 3.75Å
149E98.2Very high98.5Very high138 Ų13830.3 Ų30.365%0.64515%0.152SC*.Iπ-helixtrans-85-39.2-170.2-65.6176.6-173.700112.2R145R145-E149 WeakPolarHBondContact CD-OE2 3.15Å; R145-E149 HydrophobicContact CG-CG 4.17Å; R145-E149 WeakPolarHBondContact CG-OE1 3.22Å; R145-E149 WeakPolarHBondContact CG-OE2 3.34Å; R145-E149 IonicContact CZ-OE2 2.72Å; R145-E149 IonicContact NH1-OE2 3.57Å; R145-E149 PolarHBondContact NH1-OE2 3.31Å; R145-E149 WeakPolarHBondContact O-CB 3.48Å; R145-E149 PolarHBondContact O-N 3.38Å
150D98.1Very high98.5Very high58 Ų5830.4 Ų30.431%0.3115%0.152SC..Iπ-helixtrans-89.3-35.3-174-46.6-18.3000110.6R145 A146 Y189R145-D150 IonicContact CZ-OD1 2.79Å; R145-D150 IonicContact CZ-OD2 3.49Å; R145-D150 IonicContact NH1-OD1 2.78Å; R145-D150 PolarHBondContact NH1-OD1 3.09Å; R145-D150 IonicContact NH1-OD2 2.98Å; R145-D150 IonicContact NH2-OD1 3.31Å; R145-D150 PolarHBondContact NH2-OD1 3.25Å; R145-D150 IonicContact NH2-OD2 2.92Å; R145-D150 PolarHBondContact NH2-OD2 3.29Å; A146-D150 WeakPolarHBondContact CA-OD2 3.41Å; A146-D150 WeakPolarHBondContact CB-OD2 3.44Å; A146-D150 WeakPolarHBondContact O-CA 3.41Å; A146-D150 WeakPolarHBondContact O-CB 3.49Å; A146-D150 PolarHBondContact O-N 3.32Å; D150-Y189 HydrophobicContact CB-CE1 4.19Å; D150-Y189 PolarHBondContact OD2-OH 3.05Å
151F98.2Very high98.4Very high67 Ų6730.8 Ų30.829%0.29416%0.155SC..THydrogen-bonded Turntrans-107.2-13.2-178.6-65.1-80.3000115A146 L147 F153 I186 Y189 L190A146-F151 WeakPolarHBondContact O-CD2 3.23Å; A146-F151 PolarHBondContact O-N 3.44Å; L147-F151 HydrophobicContact CD2-CD2 4.36Å; L147-F151 WeakPolarHBondContact O-CB 3.33Å; F151-F153 VanDerWaalsContact C-N 3.31Å; F151-F153 HydrophobicContact CB-CD2 3.58Å; F151-F153 HydrophobicContact CB-CE2 3.53Å; F151-F153 HydrophobicContact CB-CG 4.31Å; F151-F153 HydrophobicContact CB-CZ 4.19Å; F151-F153 HydrophobicContact CD1-CE2 4.43Å; F151-F153 HydrophobicContact CG-CD2 4.39Å; F151-F153 HydrophobicContact CG-CE2 4Å; F151-F153 PolarHBondContact O-N 3.41Å; F151-I186 HydrophobicContact CD1-CD1 4.36Å; F151-I186 HydrophobicContact CD1-CG1 4.14Å; F151-I186 HydrophobicContact CE1-CB 4.32Å; F151-I186 HydrophobicContact CE1-CD1 4.32Å; F151-I186 HydrophobicContact CE1-CG1 3.61Å; F151-I186 HydrophobicContact CE1-CG2 4.23Å; F151-I186 HydrophobicContact CE2-CG2 4.05Å; F151-I186 HydrophobicContact CZ-CB 4.22Å; F151-I186 HydrophobicContact CZ-CG1 4.03Å; F151-I186 HydrophobicContact CZ-CG2 3.86Å; F151-Y189 AromaticContact CE2-CD1 3.58Å; F151-Y189 HydrophobicContact CE2-CD1 3.58Å; F151-Y189 AromaticContact CE2-CE1 3.8Å; F151-Y189 HydrophobicContact CE2-CE1 3.8Å; F151-Y189 HydrophobicContact CE2-CG 4.32Å; F151-Y189 AromaticContact CZ-CD1 3.56Å; F151-Y189 HydrophobicContact CZ-CD1 3.56Å; F151-Y189 HydrophobicContact CZ-CD2 4.49Å; F151-Y189 HydrophobicContact CZ-CE1 4.03Å; F151-Y189 AromaticContact CZ-CG 3.82Å; F151-Y189 HydrophobicContact CZ-CG 3.82Å; F151-L190 HydrophobicContact CE2-CD2 4.29Å; F151-L190 HydrophobicContact CE2-CG 4.45Å
152G98.2Very high98.4Very high48 Ų4828.9 Ų28.950%0.49515%0.145SC..  trans75.112.4179.800000115.2L147 R148L147-G152 PolarHBondContact O-N 3.48Å; R148-G152 WeakPolarHBondContact O-CA 3.49Å; R148-G152 PolarHBondContact O-N 3.34Å; R148-G152 VanDerWaalsContact O-N 3.12Å
153F98.5Very high98.3Very high14 Ų1431.7 Ų31.76%0.06116%0.156CC..  trans-72.3136.7178.1-61.6-49.6000111.4L102 L147 R148 F151 L156 V170 D172 A175 L178 I186L102-F153 HydrophobicContact CD2-CE2 4.28Å; L147-F153 HydrophobicContact CB-CD2 4.3Å; L147-F153 HydrophobicContact CD2-CD2 3.91Å; L147-F153 HydrophobicContact CD2-CE2 4.21Å; L147-F153 WeakPolarHBondContact O-CB 3.47Å; L147-F153 PolarHBondContact O-N 2.83Å; R148-F153 WeakPolarHBondContact CA-O 3.21Å; R148-F153 WeakPolarHBondContact CG-O 3.28Å; F151-F153 VanDerWaalsContact C-N 3.31Å; F151-F153 HydrophobicContact CB-CD2 3.58Å; F151-F153 HydrophobicContact CB-CE2 3.53Å; F151-F153 HydrophobicContact CB-CG 4.31Å; F151-F153 HydrophobicContact CB-CZ 4.19Å; F151-F153 HydrophobicContact CD1-CE2 4.43Å; F151-F153 HydrophobicContact CG-CD2 4.39Å; F151-F153 HydrophobicContact CG-CE2 4Å; F151-F153 PolarHBondContact O-N 3.41Å; F153-L156 HydrophobicContact CB-CD2 3.97Å; F153-V170 HydrophobicContact CB-CG1 3.85Å; F153-V170 HydrophobicContact CD1-CG1 4.01Å; F153-V170 HydrophobicContact CD2-CG1 3.78Å; F153-V170 HydrophobicContact CE2-CG1 4.31Å; F153-V170 HydrophobicContact CG-CG1 3.61Å; F153-D172 HydrophobicContact CD1-CB 3.99Å; F153-A175 HydrophobicContact CD1-CB 4.03Å; F153-A175 HydrophobicContact CE1-CB 3.64Å; F153-A175 HydrophobicContact CZ-CB 3.99Å; F153-L178 HydrophobicContact CZ-CD1 4.4Å; F153-I186 HydrophobicContact CE2-CD1 4.21Å; F153-I186 HydrophobicContact CZ-CD1 4.16Å
154Q98.1Very high98.2Very high133 Ų13334.4 Ų34.462%0.62117%0.166SC*.  trans-108.8-31.6-173.3-61.2-172.8-15.500112.6R148 L156 D172R148-Q154 PolarHBondContact NH1-O 3.09Å; Q154-L156 PolarHBondContact O-N 2.75Å; Q154-D172 PolarHBondContact N-OD1 2.89Å; Q154-D172 PolarHBondContact N-OD2 2.87Å
155H98.4Very high98.2Very high22 Ų2234.1 Ų34.110%0.10216%0.164CC..  trans-105.673-167.8-58.2-64.8000112.1C171 D172 F418 H421 V422 A425H155-C171 HydrophobicContact CB-CB 3.96Å; H155-C171 WeakPolarHBondContact O-CB 3.47Å; H155-C171 PolarHBondContact O-N 3.39Å; H155-D172 WeakPolarHBondContact CA-OD2 3.32Å; H155-D172 WeakPolarHBondContact CB-OD2 3.39Å; H155-D172 IonicContact CD2-OD1 3.95Å; H155-D172 IonicContact CD2-OD2 3.51Å; H155-D172 PolarHBondContact N-OD2 2.99Å; H155-F418 HydrophobicContact CB-CE2 4.34Å; H155-F418 HydrophobicContact CB-CZ 4.22Å; H155-H421 PolarHBondContact CE1-O 2.79Å; H155-V422 HydrophobicContact CB-CG2 3.79Å; H155-A425 WeakPolarHBondContact NE2-CB 3.5Å
156L98.7Very high98.2Very high1 Ų133 Ų331%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-99.4112.5-179.4-48.2-177.5000110.9D144 L147 R148 F153 Q154 V170D144-L156 VanDerWaalsContact OD1-CD1 3.31Å; D144-L156 WeakPolarHBondContact OD1-CD1 3.42Å; L147-L156 HydrophobicContact CB-CD1 3.68Å; L147-L156 HydrophobicContact CB-CD2 4.22Å; L147-L156 HydrophobicContact CD1-CD1 4.14Å; L147-L156 HydrophobicContact CD1-CD2 4.12Å; R148-L156 HydrophobicContact CG-CD1 3.75Å; F153-L156 HydrophobicContact CB-CD2 3.97Å; Q154-L156 PolarHBondContact O-N 2.75Å; L156-V170 HydrophobicContact CD2-CB 3.99Å; L156-V170 HydrophobicContact CD2-CG1 3.66Å; L156-V170 HydrophobicContact CD2-CG2 3.74Å
157L98.8Very high98.2Very high0 Ų033.3 Ų33.30%016%0.161CC..EExtended strand (participates in β ladder)trans-96106.1173.3-176.471.6000110W26 V159 C168 W169 P339 P352 Y414 F415 F418W26-L157 HydrophobicContact CD2-CD2 4.35Å; W26-L157 HydrophobicContact CE3-CD2 4.46Å; W26-L157 HydrophobicContact CH2-CD2 3.58Å; W26-L157 HydrophobicContact CZ2-CD2 3.46Å; W26-L157 VanDerWaalsContact CZ2-CD2 3.46Å; W26-L157 HydrophobicContact CZ3-CD2 4.11Å; L157-V159 HydrophobicContact CD2-CG2 4.13Å; L157-V159 HydrophobicContact CG-CG2 3.9Å; L157-C168 WeakPolarHBondContact O-CA 3.43Å; L157-W169 HydrophobicContact CB-CB 4.19Å; L157-W169 PolarHBondContact N-O 2.92Å; L157-W169 PolarHBondContact O-N 3.39Å; L157-P339 HydrophobicContact CD2-CG 4.07Å; L157-P352 HydrophobicContact CD1-CB 3.92Å; L157-P352 HydrophobicContact CD1-CG 4.4Å; L157-Y414 HydrophobicContact CD1-CE1 4.32Å; L157-F415 HydrophobicContact CD1-CD2 3.88Å; L157-F415 HydrophobicContact CD1-CE2 4.29Å; L157-F415 HydrophobicContact CD2-CD2 4.12Å; L157-F415 HydrophobicContact CD2-CE2 3.71Å; L157-F418 HydrophobicContact CB-CD1 4.4Å; L157-F418 HydrophobicContact CB-CE1 3.81Å; L157-F418 HydrophobicContact CB-CE2 4.03Å; L157-F418 HydrophobicContact CB-CZ 3.62Å; L157-F418 HydrophobicContact CD1-CD1 3.91Å; L157-F418 HydrophobicContact CD1-CD2 4.33Å; L157-F418 HydrophobicContact CD1-CE1 4.18Å; L157-F418 HydrophobicContact CD1-CG 4Å; L157-F418 HydrophobicContact CD2-CE1 4.48Å; L157-F418 HydrophobicContact CG-CE1 4.39Å
158W98.8Very high98.2Very high0 Ų033.3 Ų33.30%016%0.161CC..EExtended strand (participates in β ladder)trans-88.8136.4172.8-73.293.8000111.7I106 V140 I143 D144 V166 H167 C168 P352 F353 P355I106-W158 HydrophobicContact CD1-CH2 4.16Å; I106-W158 HydrophobicContact CD1-CZ3 4.03Å; V140-W158 HydrophobicContact CB-CE3 4.38Å; V140-W158 HydrophobicContact CB-CH2 4.4Å; V140-W158 HydrophobicContact CB-CZ3 4.31Å; V140-W158 HydrophobicContact CG1-CD2 3.9Å; V140-W158 HydrophobicContact CG1-CE3 4.21Å; V140-W158 HydrophobicContact CG1-CG 4.27Å; V140-W158 HydrophobicContact CG1-CZ2 4.26Å; V140-W158 HydrophobicContact CG2-CD2 4.26Å; V140-W158 HydrophobicContact CG2-CE3 3.72Å; V140-W158 HydrophobicContact CG2-CH2 4.32Å; V140-W158 HydrophobicContact CG2-CZ3 3.76Å; I143-W158 HydrophobicContact CB-CH2 3.83Å; I143-W158 HydrophobicContact CB-CZ2 3.99Å; I143-W158 HydrophobicContact CG2-CH2 3.85Å; I143-W158 HydrophobicContact CG2-CZ2 3.92Å; D144-W158 HydrophobicContact CB-CZ2 4.06Å; D144-W158 PolarHBondContact OD1-NE1 3.49Å; W158-V166 HydrophobicContact CE3-CB 4.45Å; W158-V166 HydrophobicContact CE3-CG2 4.37Å; W158-V166 HydrophobicContact CZ3-CG2 4.04Å; W158-H167 CarbonylContact C-O 3.55Å; W158-H167 WeakPolarHBondContact CA-O 3.45Å; W158-C168 HydrophobicContact CD2-CB 3.85Å; W158-C168 HydrophobicContact CE3-CB 3.75Å; W158-C168 HydrophobicContact CH2-CB 3.71Å; W158-C168 HydrophobicContact CZ2-CB 3.8Å; W158-C168 HydrophobicContact CZ3-CB 3.68Å; W158-P352 WeakPolarHBondContact O-CA 3.34Å; W158-F353 HydrophobicContact CB-CD1 4.48Å; W158-F353 HydrophobicContact CB-CD2 4.37Å; W158-F353 HydrophobicContact CB-CE1 3.97Å; W158-F353 HydrophobicContact CB-CE2 3.84Å; W158-F353 HydrophobicContact CB-CZ 3.63Å; W158-F353 HydrophobicContact CG-CZ 4.45Å; W158-F353 PolarHBondContact O-N 2.72Å; W158-P355 HydrophobicContact CG-CB 4.18Å
159V98.8Very high98.2Very high0 Ų029.3 Ų29.30%015%0.147CC..EExtended strand (participates in β ladder)trans-140.1130.6-169.7-171.70000109.9L157 V166 H167 P339 C350 I351L157-V159 HydrophobicContact CD2-CG2 4.13Å; L157-V159 HydrophobicContact CG-CG2 3.9Å; V159-V166 CarbonylContact O-C 3.31Å; V159-V166 VanDerWaalsContact O-CA 3.31Å; V159-V166 WeakPolarHBondContact O-CA 3.36Å; V159-H167 HydrophobicContact CB-CB 4.49Å; V159-H167 PolarHBondContact N-O 2.95Å; V159-H167 PolarHBondContact O-N 3.39Å; V159-P339 HydrophobicContact CG1-CB 4.03Å; V159-P339 HydrophobicContact CG1-CG 4.34Å; V159-P339 HydrophobicContact CG2-CB 4.24Å; V159-P339 HydrophobicContact CG2-CG 3.93Å; V159-C350 HydrophobicContact CG1-CB 4.24Å; V159-C350 VanDerWaalsContact CG1-O 3.32Å; V159-C350 WeakPolarHBondContact CG1-O 3.43Å; V159-I351 WeakPolarHBondContact CA-O 3.22Å
160Y98.6Very high98.3Very high2 Ų222.8 Ų22.81%0.00812%0.116CC..EExtended strand (participates in β ladder)trans-68.1135.6171.5171.6-123.3000110.4W133 G162 R163 G165 H348 C350 I351 P363 V366W133-Y160 AromaticContact CH2-CD2 3.71Å; W133-Y160 HydrophobicContact CH2-CD2 3.71Å; W133-Y160 AromaticContact CH2-CE2 3.69Å; W133-Y160 HydrophobicContact CH2-CE2 3.69Å; W133-Y160 HydrophobicContact CZ2-CD2 4.25Å; W133-Y160 HydrophobicContact CZ2-CE2 4.38Å; W133-Y160 HydrophobicContact CZ3-CE2 4.26Å; Y160-G162 VanDerWaalsContact CE1-C 3.43Å; Y160-G162 PolarHBondContact O-N 3.12Å; Y160-G162 VanDerWaalsContact OH-C 3.23Å; Y160-G162 PolarHBondContact OH-O 3.22Å; Y160-R163 VanDerWaalsContact CZ-N 3.33Å; Y160-R163 VanDerWaalsContact OH-C 3.29Å; Y160-R163 VanDerWaalsContact OH-CA 3.23Å; Y160-R163 WeakPolarHBondContact OH-CA 3.43Å; Y160-R163 PolarHBondContact OH-N 2.66Å; Y160-R163 VanDerWaalsContact OH-N 3.14Å; Y160-R163 PolarHBondContact OH-O 3.48Å; Y160-G165 WeakPolarHBondContact CD2-O 3.38Å; Y160-H348 HydrophobicContact CE1-CB 3.95Å; Y160-H348 PolarHBondContact OH-ND1 2.92Å; Y160-C350 CarbonylContact O-C 3.53Å; Y160-C350 WeakPolarHBondContact O-CA 3.28Å; Y160-C350 WeakPolarHBondContact O-CB 3.26Å; Y160-I351 PolarHBondContact N-O 2.99Å; Y160-P363 HydrophobicContact CE2-CB 3.9Å; Y160-V366 HydrophobicContact CD1-CB 4.3Å; Y160-V366 HydrophobicContact CD1-CG1 3.89Å; Y160-V366 HydrophobicContact CD1-CG2 3.87Å; Y160-V366 HydrophobicContact CE1-CB 4.12Å; Y160-V366 HydrophobicContact CE1-CG1 4.03Å; Y160-V366 HydrophobicContact CE1-CG2 3.91Å
161S97.9Very high98.3Very high8 Ų820 Ų206%0.05610%0.101CC..  trans-75.6-5.8-175.777.40000114.6G165 H167 K337 C350S161-G165 WeakPolarHBondContact CB-O 3.37Å; S161-G165 PolarHBondContact N-O 3.39Å; S161-G165 WeakPolarHBondContact OG-CA 3.41Å; S161-G165 PolarHBondContact OG-N 3.41Å; S161-G165 VanDerWaalsContact OG-N 3.07Å; S161-G165 PolarHBondContact OG-O 2.77Å; S161-G165 VanDerWaalsContact OG-O 3.1Å; S161-H167 VanDerWaalsContact CB-NE2 3.34Å; S161-H167 WeakPolarHBondContact CB-NE2 3.49Å; S161-K337 PolarHBondContact O-NZ 3.3Å; S161-C350 VanDerWaalsContact C-SG 3.55Å; S161-C350 PolarHBondContact O-SG 2.84Å; S161-C350 VanDerWaalsContact O-SG 3.37Å
162G97.3Very high98.2Very high0 Ų017.6 Ų17.60%09%0.091CC..SBendtrans90.3-5.1-177.200000114.5Y160 H343 T346Y160-G162 VanDerWaalsContact CE1-C 3.43Å; Y160-G162 PolarHBondContact O-N 3.12Å; Y160-G162 VanDerWaalsContact OH-C 3.23Å; Y160-G162 PolarHBondContact OH-O 3.22Å; G162-H343 WeakPolarHBondContact O-CB 3.49Å; G162-T346 PolarHBondContact O-OG1 2.92Å
163R96.9Very high98.1Very high61 Ų6119.4 Ų19.423%0.238%0.083CC..SBendtrans-142.6-77177.2-171.8178-174-162.1-0.6113.6P127 V128 Y160 H343 T346P127-R163 HydrophobicContact CB-CG 4.4Å; P127-R163 HydrophobicContact CG-CG 4.37Å; V128-R163 WeakPolarHBondContact CG1-O 3.18Å; Y160-R163 VanDerWaalsContact CZ-N 3.33Å; Y160-R163 VanDerWaalsContact OH-C 3.29Å; Y160-R163 VanDerWaalsContact OH-CA 3.23Å; Y160-R163 WeakPolarHBondContact OH-CA 3.43Å; Y160-R163 PolarHBondContact OH-N 2.66Å; Y160-R163 VanDerWaalsContact OH-N 3.14Å; Y160-R163 PolarHBondContact OH-O 3.48Å; R163-H343 WeakPolarHBondContact CB-NE2 3.31Å; R163-T346 HydrophobicContact CB-CG2 4.19Å; R163-T346 HydrophobicContact CG-CG2 3.92Å
164R96.8Very high98Very high56 Ų5621.9 Ų21.921%0.21110%0.102CC..SBendtrans-139.932.2-166.261.3169.4-180-159.20.3112.9D107 L108 V128D107-R164 WeakPolarHBondContact OD1-CD 3.44Å; D107-R164 WeakPolarHBondContact OD1-CG 3.38Å; D107-R164 IonicContact OD1-CZ 2.64Å; D107-R164 IonicContact OD1-NE 2.64Å; D107-R164 PolarHBondContact OD1-NE 2.71Å; D107-R164 IonicContact OD2-NE 3.08Å; D107-R164 PolarHBondContact OD2-NE 3.05Å; L108-R164 HydrophobicContact CB-CB 4.47Å; L108-R164 VanDerWaalsContact CB-O 3.32Å; L108-R164 WeakPolarHBondContact CB-O 3.46Å; L108-R164 WeakPolarHBondContact CG-O 3.41Å; L108-R164 PolarHBondContact N-O 2.94Å; V128-R164 HydrophobicContact CB-CB 3.96Å; V128-R164 HydrophobicContact CG1-CB 4.35Å
165G97.8Very high98Very high0 Ų015.5 Ų15.50%07%0.073CC..EExtended strand (participates in β ladder)trans-163-180-177.300000112.7I106 Y160 S161I106-G165 CarbonylContact O-C 3.57Å; I106-G165 WeakPolarHBondContact O-CA 3.24Å; Y160-G165 WeakPolarHBondContact CD2-O 3.38Å; S161-G165 WeakPolarHBondContact CB-O 3.37Å; S161-G165 PolarHBondContact N-O 3.39Å; S161-G165 WeakPolarHBondContact OG-CA 3.41Å; S161-G165 PolarHBondContact OG-N 3.41Å; S161-G165 VanDerWaalsContact OG-N 3.07Å; S161-G165 PolarHBondContact OG-O 2.77Å; S161-G165 VanDerWaalsContact OG-O 3.1Å
166V98.6Very high97.9Very high1 Ų114.7 Ų14.71%0.0067%0.069CC..EExtended strand (participates in β ladder)trans-140.9147.7178.8-680000109.4I106 W133 V140 W158 V159 F353I106-V166 HydrophobicContact CB-CG2 4.05Å; I106-V166 HydrophobicContact CD1-CG2 4.08Å; I106-V166 PolarHBondContact N-O 3.37Å; I106-V166 VanDerWaalsContact N-O 3.08Å; I106-V166 PolarHBondContact O-N 2.68Å; W133-V166 HydrophobicContact CH2-CG1 4.08Å; W133-V166 HydrophobicContact CZ2-CG1 4.4Å; V140-V166 HydrophobicContact CG2-CB 4.39Å; V140-V166 HydrophobicContact CG2-CG1 4.41Å; V140-V166 HydrophobicContact CG2-CG2 3.84Å; W158-V166 HydrophobicContact CE3-CB 4.45Å; W158-V166 HydrophobicContact CE3-CG2 4.37Å; W158-V166 HydrophobicContact CZ3-CG2 4.04Å; V159-V166 CarbonylContact O-C 3.31Å; V159-V166 VanDerWaalsContact O-CA 3.31Å; V159-V166 WeakPolarHBondContact O-CA 3.36Å; V166-F353 HydrophobicContact CG1-CE1 4.16Å; V166-F353 HydrophobicContact CG1-CZ 4.07Å
167H98.7Very high97.8Very high7 Ų719.3 Ų19.33%0.0329%0.09CC..EExtended strand (participates in β ladder)trans-116.2144.8175.6-51.7150.5000109.7F104 D105 W158 V159 S161 L336F104-H167 CarbonylContact O-C 3.58Å; F104-H167 VanDerWaalsContact O-CA 3.27Å; F104-H167 WeakPolarHBondContact O-CA 2.97Å; D105-H167 IonicContact OD1-CD2 2.78Å; D105-H167 PolarHBondContact OD1-CD2 3.35Å; D105-H167 IonicContact OD1-NE2 3.72Å; D105-H167 PolarHBondContact OD1-NE2 3.37Å; W158-H167 CarbonylContact C-O 3.55Å; W158-H167 WeakPolarHBondContact CA-O 3.45Å; V159-H167 HydrophobicContact CB-CB 4.49Å; V159-H167 PolarHBondContact N-O 2.95Å; V159-H167 PolarHBondContact O-N 3.39Å; S161-H167 VanDerWaalsContact CB-NE2 3.34Å; S161-H167 WeakPolarHBondContact CB-NE2 3.49Å; H167-L336 HydrophobicContact CB-CD2 4.09Å
168C98.8Very high97.7Very high0 Ų020.5 Ų20.50%010%0.096CC..EExtended strand (participates in β ladder)trans-114.6134.1167.8-179.10000109.7V103 F104 L157 W158V103-C168 CarbonylContact C-O 3.59Å; V103-C168 WeakPolarHBondContact CA-O 3.32Å; F104-C168 HydrophobicContact CB-CB 4.23Å; F104-C168 HydrophobicContact CD2-CB 4.24Å; F104-C168 PolarHBondContact N-O 3.25Å; F104-C168 PolarHBondContact O-N 3.01Å; L157-C168 WeakPolarHBondContact O-CA 3.43Å; W158-C168 HydrophobicContact CD2-CB 3.85Å; W158-C168 HydrophobicContact CE3-CB 3.75Å; W158-C168 HydrophobicContact CH2-CB 3.71Å; W158-C168 HydrophobicContact CZ2-CB 3.8Å; W158-C168 HydrophobicContact CZ3-CB 3.68Å
169W98.8Very high97.5Very high0 Ų024.3 Ų24.30%012%0.117CC..EExtended strand (participates in β ladder)trans-115.6109.5170.5-56.373.6000109.5W26 I76 E101 V103 L157 C171 L336 K337W26-W169 HydrophobicContact CH2-CB 4.35Å; W26-W169 AromaticContact CH2-CD2 3.76Å; W26-W169 HydrophobicContact CH2-CD2 3.76Å; W26-W169 HydrophobicContact CH2-CE3 4.01Å; W26-W169 AromaticContact CH2-CG 3.9Å; W26-W169 HydrophobicContact CH2-CG 3.9Å; W26-W169 HydrophobicContact CZ2-CB 3.87Å; W26-W169 HydrophobicContact CZ2-CD2 4.08Å; W26-W169 HydrophobicContact CZ2-CE3 4.21Å; W26-W169 AromaticContact CZ2-CG 3.93Å; W26-W169 HydrophobicContact CZ2-CG 3.93Å; I76-W169 HydrophobicContact CB-CH2 3.86Å; I76-W169 HydrophobicContact CB-CZ3 4.26Å; I76-W169 HydrophobicContact CD1-CH2 4.42Å; I76-W169 HydrophobicContact CG2-CH2 4.4Å; I76-W169 HydrophobicContact CG2-CZ3 4.3Å; E101-W169 HydrophobicContact CB-CE3 3.96Å; E101-W169 HydrophobicContact CG-CE3 4.33Å; V103-W169 HydrophobicContact CG1-CD2 3.74Å; V103-W169 HydrophobicContact CG1-CE3 3.42Å; V103-W169 VanDerWaalsContact CG1-CE3 3.42Å; V103-W169 HydrophobicContact CG1-CG 4.27Å; V103-W169 HydrophobicContact CG1-CH2 4.37Å; V103-W169 HydrophobicContact CG1-CZ3 3.77Å; L157-W169 HydrophobicContact CB-CB 4.19Å; L157-W169 PolarHBondContact N-O 2.92Å; L157-W169 PolarHBondContact O-N 3.39Å; W169-C171 PolarHBondContact O-N 3.2Å; W169-C171 PolarHBondContact O-SG 3.27Å; W169-C171 VanDerWaalsContact O-SG 3.32Å; W169-L336 HydrophobicContact CH2-CB 3.67Å; W169-L336 HydrophobicContact CH2-CD2 4.25Å; W169-L336 HydrophobicContact CH2-CG 4.16Å; W169-L336 HydrophobicContact CZ2-CB 3.72Å; W169-L336 HydrophobicContact CZ2-CD2 3.72Å; W169-L336 HydrophobicContact CZ2-CG 3.68Å; W169-K337 WeakPolarHBondContact CZ2-O 3.43Å
170V98.7Very high97.4Very high0 Ų030 Ų300%014%0.143CC..EExtended strand (participates in β ladder)trans-84.1110.4174.9-1700000108.5L102 F104 L147 F153 L156 A175L102-V170 HydrophobicContact CB-CB 4.01Å; L102-V170 HydrophobicContact CB-CG2 4.23Å; L102-V170 HydrophobicContact CD2-CG2 4.15Å; L102-V170 HydrophobicContact CG-CB 4.46Å; L102-V170 HydrophobicContact CG-CG2 4.14Å; L102-V170 PolarHBondContact N-O 3.12Å; L102-V170 WeakPolarHBondContact O-CB 3.4Å; L102-V170 WeakPolarHBondContact O-CG2 3.49Å; L102-V170 PolarHBondContact O-N 2.96Å; F104-V170 HydrophobicContact CD2-CG2 4.36Å; F104-V170 HydrophobicContact CE2-CG2 3.94Å; L147-V170 HydrophobicContact CD1-CG2 3.93Å; L147-V170 HydrophobicContact CD2-CG2 4.45Å; F153-V170 HydrophobicContact CB-CG1 3.85Å; F153-V170 HydrophobicContact CD1-CG1 4.01Å; F153-V170 HydrophobicContact CD2-CG1 3.78Å; F153-V170 HydrophobicContact CE2-CG1 4.31Å; F153-V170 HydrophobicContact CG-CG1 3.61Å; L156-V170 HydrophobicContact CD2-CB 3.99Å; L156-V170 HydrophobicContact CD2-CG1 3.66Å; L156-V170 HydrophobicContact CD2-CG2 3.74Å; V170-A175 HydrophobicContact CB-CB 4.09Å; V170-A175 HydrophobicContact CG1-CB 3.43Å; V170-A175 VanDerWaalsContact CG1-CB 3.43Å
171C98.3Very high97.3Very high1 Ų134.8 Ų34.81%0.00717%0.173CC..  trans-102.3-5.3-166.6-62.90000113.8W26 Y29 H155 W169 R176 F418 V422W26-C171 PolarHBondContact NE1-SG 3.34Å; Y29-C171 HydrophobicContact CE1-CB 4.1Å; Y29-C171 WeakPolarHBondContact CE1-O 3.39Å; H155-C171 HydrophobicContact CB-CB 3.96Å; H155-C171 WeakPolarHBondContact O-CB 3.47Å; H155-C171 PolarHBondContact O-N 3.39Å; W169-C171 PolarHBondContact O-N 3.2Å; W169-C171 PolarHBondContact O-SG 3.27Å; W169-C171 VanDerWaalsContact O-SG 3.32Å; C171-R176 PolarHBondContact O-NE 3.43Å; C171-F418 HydrophobicContact CB-CE1 4.48Å; C171-F418 HydrophobicContact CB-CZ 4.07Å; C171-V422 HydrophobicContact CB-CG2 4.32Å
172D97.7Very high97.2Very high16 Ų1636.7 Ų36.79%0.08619%0.186CC..  trans-52140.3175.1-61.9-113.6000111.1F153 Q154 H155 S174 A175 R176F153-D172 HydrophobicContact CD1-CB 3.99Å; Q154-D172 PolarHBondContact N-OD1 2.89Å; Q154-D172 PolarHBondContact N-OD2 2.87Å; H155-D172 WeakPolarHBondContact CA-OD2 3.32Å; H155-D172 WeakPolarHBondContact CB-OD2 3.39Å; H155-D172 IonicContact CD2-OD1 3.95Å; H155-D172 IonicContact CD2-OD2 3.51Å; H155-D172 PolarHBondContact N-OD2 2.99Å; D172-S174 VanDerWaalsContact C-N 3.25Å; D172-S174 PolarHBondContact O-N 3.44Å; D172-A175 HydrophobicContact CB-CB 4.11Å; D172-A175 WeakPolarHBondContact O-CB 3.4Å; D172-A175 PolarHBondContact O-N 2.94Å; D172-A175 VanDerWaalsContact O-N 3.09Å; D172-R176 WeakPolarHBondContact O-CG 3.31Å; D172-R176 PolarHBondContact O-N 2.97Å
173R95.4Very high97.3Very high85 Ų8536.7 Ų36.732%0.32119%0.186SC..Hα-helixtrans-57.7-39.9-178.7-174.5169.9174.6-168.9-10.7111.9R176 H177 D433R173-R176 PolarHBondContact O-N 3.22Å; R173-H177 PolarHBondContact O-N 3Å; R173-H177 PolarHBondContact O-ND1 3.31Å; R173-D433 IonicContact CZ-OD2 2.92Å; R173-D433 IonicContact NH1-OD2 3.66Å; R173-D433 PolarHBondContact NH1-OD2 2.87Å; R173-D433 IonicContact NH2-OD2 2.77Å; R173-D433 PolarHBondContact NH2-OD2 3.3Å
174S96.2Very high97.2Very high66 Ų6636.1 Ų36.146%0.46219%0.19SC..Hα-helixtrans-61.2-46.7174.753.40000111.9D172 R176 H177 L178D172-S174 VanDerWaalsContact C-N 3.25Å; D172-S174 PolarHBondContact O-N 3.44Å; S174-R176 VanDerWaalsContact C-N 3.34Å; S174-R176 PolarHBondContact O-N 2.92Å; S174-H177 PolarHBondContact O-N 3.39Å; S174-L178 PolarHBondContact O-N 3.19Å
175A97.7Very high97.2Very high0 Ų036.4 Ų36.40%020%0.204CC..Hα-helixtrans-62.3-39.7177.500000112.6L102 F153 V170 D172 H177 L178 R183L102-A175 HydrophobicContact CB-CB 4.34Å; F153-A175 HydrophobicContact CD1-CB 4.03Å; F153-A175 HydrophobicContact CE1-CB 3.64Å; F153-A175 HydrophobicContact CZ-CB 3.99Å; V170-A175 HydrophobicContact CB-CB 4.09Å; V170-A175 HydrophobicContact CG1-CB 3.43Å; V170-A175 VanDerWaalsContact CG1-CB 3.43Å; D172-A175 HydrophobicContact CB-CB 4.11Å; D172-A175 WeakPolarHBondContact O-CB 3.4Å; D172-A175 PolarHBondContact O-N 2.94Å; D172-A175 VanDerWaalsContact O-N 3.09Å; A175-H177 VanDerWaalsContact C-N 3.25Å; A175-H177 PolarHBondContact O-N 3.29Å; A175-L178 WeakPolarHBondContact O-CG 3.46Å; A175-L178 PolarHBondContact O-N 3.26Å; A175-R183 PolarHBondContact O-NH2 3.48Å
176R96.5Very high97.2Very high4 Ų437 Ų372%0.01521%0.207CC..Hα-helixtrans-61.2-34.2179.6-74.1-170.2-73.2140.51113Y29 W99 K100 E101 C171 D172 R173 S174 R183 E426Y29-R176 VanDerWaalsContact CG-CZ 3.41Å; Y29-R176 VanDerWaalsContact CZ-CD 3.44Å; W99-R176 WeakPolarHBondContact CA-O 3.46Å; W99-R176 VanDerWaalsContact CB-O 3.27Å; W99-R176 WeakPolarHBondContact CB-O 3.42Å; W99-R176 HydrophobicContact CE3-CB 4.2Å; W99-R176 HydrophobicContact CE3-CG 4.43Å; K100-R176 PolarHBondContact N-O 3.31Å; K100-R176 CarbonylContact O-C 3.58Å; K100-R176 VanDerWaalsContact O-CA 3.28Å; K100-R176 WeakPolarHBondContact O-CA 3.34Å; E101-R176 HydrophobicContact CG-CG 4.26Å; C171-R176 PolarHBondContact O-NE 3.43Å; D172-R176 WeakPolarHBondContact O-CG 3.31Å; D172-R176 PolarHBondContact O-N 2.97Å; R173-R176 PolarHBondContact O-N 3.22Å; S174-R176 VanDerWaalsContact C-N 3.34Å; S174-R176 PolarHBondContact O-N 2.92Å; R176-R183 PolarHBondContact O-NH2 3.47Å; R176-E426 IonicContact CZ-OE1 3.62Å; R176-E426 IonicContact NH2-OE1 3.64Å; R176-E426 PolarHBondContact NH2-OE1 3.42Å; R176-E426 IonicContact NH2-OE2 3Å; R176-E426 PolarHBondContact NH2-OE2 3.2Å
177H95.9Very high97.1Very high98 Ų9837 Ų3745%0.45421%0.207SC..THydrogen-bonded Turntrans-98.97.2-174.5-65.781.8000114W99 R173 S174 A175 D179W99-H177 AromaticContact CD1-NE2 3.88Å; W99-H177 AromaticContact CG-NE2 3.94Å; R173-H177 PolarHBondContact O-N 3Å; R173-H177 PolarHBondContact O-ND1 3.31Å; S174-H177 PolarHBondContact O-N 3.39Å; A175-H177 VanDerWaalsContact C-N 3.25Å; A175-H177 PolarHBondContact O-N 3.29Å; H177-D179 PolarHBondContact O-N 2.89Å
178L97.3Very high96.8Very high26 Ų2640.2 Ų40.214%0.13622%0.222CC..  trans-59.9135.7173.1-66.7172.5000110.9L102 F153 S174 A175 R183 I186L102-L178 HydrophobicContact CD2-CD1 4.29Å; F153-L178 HydrophobicContact CZ-CD1 4.4Å; S174-L178 PolarHBondContact O-N 3.19Å; A175-L178 WeakPolarHBondContact O-CG 3.46Å; A175-L178 PolarHBondContact O-N 3.26Å; L178-R183 HydrophobicContact CB-CG 3.87Å; L178-R183 PolarHBondContact O-NE 3.37Å; L178-R183 PolarHBondContact O-NH2 3.02Å; L178-I186 HydrophobicContact CD1-CD1 3.44Å; L178-I186 VanDerWaalsContact CD1-CD1 3.44Å
179D95.7Very high96.6Very high80 Ų8043.8 Ų43.843%0.42824%0.236SC..  trans-72.5171.3169.176.4-16.8000111.2H177 T181 S182 R183H177-D179 PolarHBondContact O-N 2.89Å; D179-T181 VanDerWaalsContact C-N 3.28Å; D179-T181 PolarHBondContact O-N 3.18Å; D179-S182 PolarHBondContact O-N 3.17Å; D179-S182 WeakPolarHBondContact OD1-CB 3.21Å; D179-S182 PolarHBondContact OD1-N 3.25Å; D179-S182 PolarHBondContact OD1-OG 3.46Å; D179-R183 VanDerWaalsContact O-CG 3.26Å; D179-R183 WeakPolarHBondContact O-CG 3.34Å; D179-R183 PolarHBondContact O-N 3.32Å
180Q95.1Very high96.5Very high119 Ų11943.8 Ų43.856%0.55624%0.236SC*.Hα-helixtrans-62.7-36.1-178.3-177.8167.16.600112.4R183 T184Q180-R183 PolarHBondContact O-N 3.16Å; Q180-T184 WeakPolarHBondContact O-CB 3.32Å; Q180-T184 PolarHBondContact O-N 2.94Å; Q180-T184 PolarHBondContact O-OG1 3.16Å
181T96.5Very high96.3Very high103 Ų10344.2 Ų44.263%0.63224%0.238SC*.Hα-helixtrans-61.5-50178.1-51.90000110.8D179 R183 T184 A185D179-T181 VanDerWaalsContact C-N 3.28Å; D179-T181 PolarHBondContact O-N 3.18Å; T181-R183 PolarHBondContact O-N 3.45Å; T181-T184 WeakPolarHBondContact O-CB 3.2Å; T181-T184 PolarHBondContact O-N 3.43Å; T181-A185 PolarHBondContact O-N 3.39Å
182S97.4Very high96.1Very high48 Ų4844.9 Ų44.934%0.33624%0.242SC..Hα-helixtrans-66-39.8-179.9-52.80000111.6D179 T184 A185 I186D179-S182 PolarHBondContact O-N 3.17Å; D179-S182 WeakPolarHBondContact OD1-CB 3.21Å; D179-S182 PolarHBondContact OD1-N 3.25Å; D179-S182 PolarHBondContact OD1-OG 3.46Å; S182-T184 VanDerWaalsContact C-N 3.31Å; S182-T184 PolarHBondContact O-N 3.35Å; S182-A185 PolarHBondContact O-N 3.05Å; S182-I186 WeakPolarHBondContact O-CG1 3.38Å; S182-I186 PolarHBondContact O-N 3.21Å
183R98Very high95.7Very high0 Ų044.7 Ų44.70%024%0.241CC..Hα-helixtrans-59.3-43.1173.2-71172.1-171-86.8-9.9112.1K100 E101 L102 A175 R176 L178 D179 Q180 T181 I186 A187 S329 T330 L332K100-R183 PolarHBondContact O-NH1 3.03Å; K100-R183 PolarHBondContact O-NH2 3.48Å; E101-R183 PolarHBondContact O-NH1 3.36Å; L102-R183 HydrophobicContact CD1-CG 4.25Å; A175-R183 PolarHBondContact O-NH2 3.48Å; R176-R183 PolarHBondContact O-NH2 3.47Å; L178-R183 HydrophobicContact CB-CG 3.87Å; L178-R183 PolarHBondContact O-NE 3.37Å; L178-R183 PolarHBondContact O-NH2 3.02Å; D179-R183 VanDerWaalsContact O-CG 3.26Å; D179-R183 WeakPolarHBondContact O-CG 3.34Å; D179-R183 PolarHBondContact O-N 3.32Å; Q180-R183 PolarHBondContact O-N 3.16Å; T181-R183 PolarHBondContact O-N 3.45Å; R183-I186 PolarHBondContact O-N 3.44Å; R183-A187 WeakPolarHBondContact O-CB 3.41Å; R183-A187 PolarHBondContact O-N 2.78Å; R183-S329 WeakPolarHBondContact CB-O 3.41Å; R183-T330 WeakPolarHBondContact CD-O 3.49Å; R183-L332 VanDerWaalsContact CZ-CD2 3.46Å
184T96.4Very high95Very high49 Ų4945.4 Ų45.430%0.30124%0.244SC..Hα-helixtrans-63.7-44.7176.8-52.70000111Q180 T181 S182 I186 A187 E188 T330Q180-T184 WeakPolarHBondContact O-CB 3.32Å; Q180-T184 PolarHBondContact O-N 2.94Å; Q180-T184 PolarHBondContact O-OG1 3.16Å; T181-T184 WeakPolarHBondContact O-CB 3.2Å; T181-T184 PolarHBondContact O-N 3.43Å; S182-T184 VanDerWaalsContact C-N 3.31Å; S182-T184 PolarHBondContact O-N 3.35Å; T184-I186 VanDerWaalsContact C-N 3.34Å; T184-I186 PolarHBondContact O-N 3.31Å; T184-A187 PolarHBondContact O-N 2.97Å; T184-E188 HydrophobicContact CG2-CG 4.23Å; T184-E188 WeakPolarHBondContact O-CB 3.46Å; T184-E188 WeakPolarHBondContact O-CG 3.1Å; T184-E188 PolarHBondContact O-N 3.21Å; T184-T330 HydrophobicContact CG2-CG2 4.16Å; T184-T330 WeakPolarHBondContact OG1-CG2 3.47Å
185A96.6Very high93.7Very high62 Ų6244.3 Ų44.351%0.51224%0.243SC..Hα-helixtrans-58.8-44.1177.600000112.1T181 S182 E188 Y189T181-A185 PolarHBondContact O-N 3.39Å; S182-A185 PolarHBondContact O-N 3.05Å; A185-E188 PolarHBondContact O-N 3.11Å; A185-Y189 WeakPolarHBondContact O-CB 3.28Å; A185-Y189 PolarHBondContact O-N 2.97Å
186I97.5Very high92Very high12 Ų1247.5 Ų47.56%0.06228%0.276CS..Hα-helixtrans-64.8-46.7176.6-62.8173.2000111.2L102 F104 L147 F151 F153 L178 S182 R183 T184 E188 Y189 L190L102-I186 HydrophobicContact CD2-CD1 3.99Å; L102-I186 HydrophobicContact CD2-CG2 4.11Å; F104-I186 HydrophobicContact CZ-CG2 4.05Å; L147-I186 HydrophobicContact CD2-CG2 4.48Å; F151-I186 HydrophobicContact CD1-CD1 4.36Å; F151-I186 HydrophobicContact CD1-CG1 4.14Å; F151-I186 HydrophobicContact CE1-CB 4.32Å; F151-I186 HydrophobicContact CE1-CD1 4.32Å; F151-I186 HydrophobicContact CE1-CG1 3.61Å; F151-I186 HydrophobicContact CE1-CG2 4.23Å; F151-I186 HydrophobicContact CE2-CG2 4.05Å; F151-I186 HydrophobicContact CZ-CB 4.22Å; F151-I186 HydrophobicContact CZ-CG1 4.03Å; F151-I186 HydrophobicContact CZ-CG2 3.86Å; F153-I186 HydrophobicContact CE2-CD1 4.21Å; F153-I186 HydrophobicContact CZ-CD1 4.16Å; L178-I186 HydrophobicContact CD1-CD1 3.44Å; L178-I186 VanDerWaalsContact CD1-CD1 3.44Å; S182-I186 WeakPolarHBondContact O-CG1 3.38Å; S182-I186 PolarHBondContact O-N 3.21Å; R183-I186 PolarHBondContact O-N 3.44Å; T184-I186 VanDerWaalsContact C-N 3.34Å; T184-I186 PolarHBondContact O-N 3.31Å; I186-E188 VanDerWaalsContact C-N 3.3Å; I186-E188 PolarHBondContact O-N 3.34Å; I186-Y189 WeakPolarHBondContact O-CB 3.3Å; I186-Y189 PolarHBondContact O-N 2.91Å; I186-L190 HydrophobicContact CG2-CD1 4Å; I186-L190 WeakPolarHBondContact O-CG 3.49Å; I186-L190 PolarHBondContact O-N 3.3Å; I186-L190 VanDerWaalsContact O-N 3.09Å
187A95.8Very high89.8Confident0 Ų055.8 Ų55.80%032%0.321CS..Hα-helixtrans-62.3-39.6-179.800000111.8R183 T184 L190 T191 V326R183-A187 WeakPolarHBondContact O-CB 3.41Å; R183-A187 PolarHBondContact O-N 2.78Å; T184-A187 PolarHBondContact O-N 2.97Å; A187-L190 PolarHBondContact O-N 3.29Å; A187-T191 WeakPolarHBondContact O-CB 3.2Å; A187-T191 PolarHBondContact O-N 3.06Å; A187-T191 PolarHBondContact O-OG1 3.31Å; A187-V326 HydrophobicContact CB-CG1 3.91Å
188E92.8Very high88.2Confident75 Ų7554.2 Ų54.235%0.3532%0.32SS..Hα-helixtrans-70-40.6176.2-72.8-67.9-17700112.5T184 A185 I186 L190 T191 R194T184-E188 HydrophobicContact CG2-CG 4.23Å; T184-E188 WeakPolarHBondContact O-CB 3.46Å; T184-E188 WeakPolarHBondContact O-CG 3.1Å; T184-E188 PolarHBondContact O-N 3.21Å; A185-E188 PolarHBondContact O-N 3.11Å; I186-E188 VanDerWaalsContact C-N 3.3Å; I186-E188 PolarHBondContact O-N 3.34Å; E188-L190 PolarHBondContact O-N 3.13Å; E188-T191 PolarHBondContact O-N 3.42Å; E188-R194 IonicContact OE1-CZ 3.34Å; E188-R194 IonicContact OE1-NH2 3.84Å; E188-R194 PolarHBondContact OE1-NH2 3.33Å; E188-R194 IonicContact OE2-CZ 3.77Å; E188-R194 IonicContact OE2-NH2 3.34Å; E188-R194 PolarHBondContact OE2-NH2 2.84Å
189Y95.3Very high86.6Confident75 Ų7561.9 Ų61.929%0.29435%0.353SS..Hα-helixtrans-55.2-40.5172.9178.2-85.5000112D150 F151 A185 I186 T191 H225 C227D150-Y189 HydrophobicContact CB-CE1 4.19Å; D150-Y189 PolarHBondContact OD2-OH 3.05Å; F151-Y189 AromaticContact CE2-CD1 3.58Å; F151-Y189 HydrophobicContact CE2-CD1 3.58Å; F151-Y189 AromaticContact CE2-CE1 3.8Å; F151-Y189 HydrophobicContact CE2-CE1 3.8Å; F151-Y189 HydrophobicContact CE2-CG 4.32Å; F151-Y189 AromaticContact CZ-CD1 3.56Å; F151-Y189 HydrophobicContact CZ-CD1 3.56Å; F151-Y189 HydrophobicContact CZ-CD2 4.49Å; F151-Y189 HydrophobicContact CZ-CE1 4.03Å; F151-Y189 AromaticContact CZ-CG 3.82Å; F151-Y189 HydrophobicContact CZ-CG 3.82Å; A185-Y189 WeakPolarHBondContact O-CB 3.28Å; A185-Y189 PolarHBondContact O-N 2.97Å; I186-Y189 WeakPolarHBondContact O-CB 3.3Å; I186-Y189 PolarHBondContact O-N 2.91Å; Y189-T191 VanDerWaalsContact C-N 3.33Å; Y189-H225 AromaticContact CE2-CE1 3.7Å; Y189-H225 AromaticContact CZ-CE1 3.9Å; Y189-C227 HydrophobicContact CE1-CB 3.88Å; Y189-C227 VanDerWaalsContact OH-CB 3.31Å; Y189-C227 WeakPolarHBondContact OH-CB 3.4Å
190L96.4Very high85.6Confident0 Ų065.3 Ų65.30%036%0.364CS..THydrogen-bonded Turntrans-82-8.7-179.7-63.7172.5000113.5F104 I143 A146 L147 F151 I186 A187 E188 L192 Y321 L324F104-L190 HydrophobicContact CE1-CD1 3.61Å; F104-L190 HydrophobicContact CE2-CD1 4.46Å; F104-L190 HydrophobicContact CZ-CD1 3.58Å; I143-L190 HydrophobicContact CD1-CB 4.17Å; I143-L190 HydrophobicContact CD1-CD1 4.41Å; I143-L190 HydrophobicContact CD1-CD2 4.31Å; A146-L190 HydrophobicContact CB-CD2 3.37Å; L147-L190 HydrophobicContact CD2-CD1 4.02Å; F151-L190 HydrophobicContact CE2-CD2 4.29Å; F151-L190 HydrophobicContact CE2-CG 4.45Å; I186-L190 HydrophobicContact CG2-CD1 4Å; I186-L190 WeakPolarHBondContact O-CG 3.49Å; I186-L190 PolarHBondContact O-N 3.3Å; I186-L190 VanDerWaalsContact O-N 3.09Å; A187-L190 PolarHBondContact O-N 3.29Å; E188-L190 PolarHBondContact O-N 3.13Å; L190-L192 PolarHBondContact O-N 2.94Å; L190-Y321 WeakPolarHBondContact O-CE1 3.37Å; L190-Y321 PolarHBondContact O-OH 2.89Å; L190-L324 HydrophobicContact CB-CD1 3.63Å
191T94.2Very high84.6Confident9 Ų961.2 Ų61.26%0.05535%0.348CS..  trans-9292.9-177-63.10000111.1A187 E188 Y189 R194 P201A187-T191 WeakPolarHBondContact O-CB 3.2Å; A187-T191 PolarHBondContact O-N 3.06Å; A187-T191 PolarHBondContact O-OG1 3.31Å; E188-T191 PolarHBondContact O-N 3.42Å; Y189-T191 VanDerWaalsContact C-N 3.33Å; T191-R194 HydrophobicContact CG2-CG 3.77Å; T191-P201 VanDerWaalsContact O-CG 3.28Å; T191-P201 WeakPolarHBondContact O-CG 3.48Å
192L93.2Very high83.6Confident16 Ų1661.4 Ų61.48%0.08435%0.349CS..  trans-95.2-17178-53-174.1000113.9L190 L203 V228 A231 L317 Y321L190-L192 PolarHBondContact O-N 2.94Å; L192-L203 HydrophobicContact CB-CD2 3.95Å; L192-L203 HydrophobicContact CD2-CD2 4.15Å; L192-V228 HydrophobicContact CD1-CB 4.23Å; L192-V228 HydrophobicContact CD1-CG1 4.34Å; L192-V228 HydrophobicContact CD1-CG2 3.83Å; L192-V228 HydrophobicContact CD2-CG2 3.79Å; L192-V228 HydrophobicContact CG-CG2 4.45Å; L192-A231 HydrophobicContact CD1-CB 4.4Å; L192-L317 HydrophobicContact CD1-CD2 4.18Å; L192-Y321 HydrophobicContact CB-CD1 3.71Å; L192-Y321 HydrophobicContact CB-CD2 4.48Å; L192-Y321 HydrophobicContact CB-CE1 3.56Å; L192-Y321 HydrophobicContact CB-CE2 4.38Å; L192-Y321 HydrophobicContact CB-CG 4.2Å; L192-Y321 HydrophobicContact CD1-CD1 4.47Å; L192-Y321 HydrophobicContact CD1-CD2 3.88Å; L192-Y321 HydrophobicContact CD1-CE1 4.05Å; L192-Y321 HydrophobicContact CD1-CE2 3.41Å; L192-Y321 VanDerWaalsContact CD1-CE2 3.41Å; L192-Y321 HydrophobicContact CD1-CG 4.41Å; L192-Y321 VanDerWaalsContact CD1-CZ 3.5Å; L192-Y321 HydrophobicContact CG-CD1 4.23Å; L192-Y321 HydrophobicContact CG-CD2 4.48Å; L192-Y321 HydrophobicContact CG-CE1 3.63Å; L192-Y321 HydrophobicContact CG-CE2 3.95Å; L192-Y321 VanDerWaalsContact CG-CZ 3.47Å
193V89.3Confident82.8Confident11 Ų1160.2 Ų60.27%0.06734%0.338CS..  trans-131.1130.6178.7-178.90000108.4L317 Y321V193-L317 HydrophobicContact CG2-CB 4.41Å; V193-Y321 HydrophobicContact CG2-CD1 4.18Å; V193-Y321 HydrophobicContact CG2-CG 4.42Å
194R81.3Confident81.7Confident100 Ų10061.1 Ų61.138%0.37734%0.344SS..  trans-118.1133.4173.1-66.1-174.8178.1-162.3-0.9109.1E188 T191 P201E188-R194 IonicContact OE1-CZ 3.34Å; E188-R194 IonicContact OE1-NH2 3.84Å; E188-R194 PolarHBondContact OE1-NH2 3.33Å; E188-R194 IonicContact OE2-CZ 3.77Å; E188-R194 IonicContact OE2-NH2 3.34Å; E188-R194 PolarHBondContact OE2-NH2 2.84Å; T191-R194 HydrophobicContact CG2-CG 3.77Å; R194-P201 HydrophobicContact CG-CG 3.98Å
195G68.1Low80.3Confident44 Ų4460.2 Ų60.245%0.45434%0.341SS..  trans-73.6157.3174.200000112.7S198G195-S198 PolarHBondContact O-OG 3.45Å
196G63.6Low78.5Confident66 Ų6660.1 Ų60.168%0.6835%0.347SS*.THydrogen-bonded Turntrans71.2-149.8173.700000114.4S198G196-S198 PolarHBondContact O-N 3Å
197N49.6Very low76.4Confident179 Ų17967.2 Ų67.296%0.95739%0.385SS*.THydrogen-bonded Turntrans-83.112.7-176.8-66.3-15.7000113.8
198S62.3Low74.3Confident64 Ų6472.2 Ų72.245%0.44841%0.407SS..SBendtrans-65.5144.8-179.8-64.50000110.8G195 G196 K200G195-S198 PolarHBondContact O-OG 3.45Å; G196-S198 PolarHBondContact O-N 3Å; S198-K200 PolarHBondContact O-N 3.17Å
199K64.1Low72.2Confident187 Ų18772 Ų7281%0.81341%0.413SS*.PPolyproline II helixtrans-55.3126173.5-68.3-172.8-179.1-179.30109.3
200K74.5Confident69.7Low152 Ų15277.4 Ų77.466%0.66144%0.438SS*.PPolyproline II helixtrans-59.5133.8175.9-70.1-173.9176-176.50109.5S198S198-K200 PolarHBondContact O-N 3.17Å
201P73Confident67.1Low34 Ų3480.2 Ų80.222%0.22146%0.458CS..PPolyproline II helixtrans-57.3146.5173.1-25.335.7000111.8T191 R194 L203T191-P201 VanDerWaalsContact O-CG 3.28Å; T191-P201 WeakPolarHBondContact O-CG 3.48Å; R194-P201 HydrophobicContact CG-CG 3.98Å; P201-L203 HydrophobicContact CB-CD2 4.47Å; P201-L203 PolarHBondContact O-N 3.27Å
202T76.3Confident64.8Low106 Ų10686.6 Ų86.665%0.6548%0.482SS*.  trans-74.8113.8171.3-570000108.7
203L81.3Confident62.2Low23 Ų2391.1 Ų91.112%0.1251%0.506CS..  trans-88.4-16.4-177.1-58.2-178.7000113.3L192 P201 F224 H225 V228 E314 L317L192-L203 HydrophobicContact CB-CD2 3.95Å; L192-L203 HydrophobicContact CD2-CD2 4.15Å; P201-L203 HydrophobicContact CB-CD2 4.47Å; P201-L203 PolarHBondContact O-N 3.27Å; L203-F224 HydrophobicContact CB-CD1 3.73Å; L203-F224 HydrophobicContact CB-CE1 3.76Å; L203-F224 HydrophobicContact CD1-CE1 4.4Å; L203-F224 WeakPolarHBondContact O-CA 3.44Å; L203-F224 WeakPolarHBondContact O-CD1 3.31Å; L203-H225 PolarHBondContact O-N 2.93Å; L203-V228 HydrophobicContact CB-CG1 4.36Å; L203-V228 HydrophobicContact CB-CG2 4.42Å; L203-V228 HydrophobicContact CD2-CG2 4.33Å; L203-E314 HydrophobicContact CD1-CG 4.31Å; L203-L317 HydrophobicContact CD1-CD1 3.94Å
204T74.6Confident60.1Low20 Ų2095.5 Ų95.512%0.12354%0.538CS..BIsolated β-bridgetrans-88146.6-174.957.80000112.5S209 P222 I223 F224T204-S209 WeakPolarHBondContact OG1-CB 3.5Å; T204-S209 PolarHBondContact OG1-OG 2.79Å; T204-P222 HydrophobicContact CG2-CB 3.77Å; T204-I223 CarbonylContact C-O 3.38Å; T204-I223 VanDerWaalsContact CA-O 3.3Å; T204-I223 WeakPolarHBondContact CA-O 3.48Å; T204-I223 WeakPolarHBondContact CB-O 3.32Å; T204-F224 HydrophobicContact CG2-CD1 4.2Å; T204-F224 HydrophobicContact CG2-CE1 4.38Å
205A66.3Low58.3Low29 Ų2998.5 Ų98.524%0.2456%0.556CS.*SBendtrans-75.3138.2168.900000110.9F208 I223A205-F208 WeakPolarHBondContact O-CD2 3.46Å; A205-I223 PolarHBondContact N-O 2.96Å
206G59.4Low57Low61 Ų61101.2 Ų101.263%0.62956%0.564SS**G310 helixtrans61.6-159.3171.600000115.6F208G206-F208 PolarHBondContact O-N 3.11Å; G206-F208 VanDerWaalsContact O-N 3.17Å
207N52.2Low56Low160 Ų160108.2 Ų108.286%0.85658%0.578SS**G310 helixtrans-766-178.4-74.1-15.8000114.1S209 K210N207-S209 PolarHBondContact O-N 3.38Å; N207-S209 VanDerWaalsContact O-N 3.12Å; N207-K210 PolarHBondContact O-N 3.42Å
208F52Low55.7Low105 Ų105101.8 Ų101.846%0.46155%0.554SS.*G310 helixtrans-65.8-14.5-178.8-69.2-74.6000113.4A205 G206 K210 S211A205-F208 WeakPolarHBondContact O-CD2 3.46Å; G206-F208 PolarHBondContact O-N 3.11Å; G206-F208 VanDerWaalsContact O-N 3.17Å; F208-K210 PolarHBondContact O-N 3.22Å; F208-S211 PolarHBondContact O-N 2.81Å; F208-S211 PolarHBondContact O-OG 3.17Å
209S48.9Very low55.3Low70 Ų70105.7 Ų105.749%0.4957%0.57SS.*G310 helixtrans-62-12176.6-145.80000114.9T204 N207T204-S209 WeakPolarHBondContact OG1-CB 3.5Å; T204-S209 PolarHBondContact OG1-OG 2.79Å; N207-S209 PolarHBondContact O-N 3.38Å; N207-S209 VanDerWaalsContact O-N 3.12Å
210K43.8Very low55Low189 Ų189102.5 Ų102.582%0.82256%0.56SS**G310 helixtrans-102.84.3-176.3-77.7-173.1177.4179.50115.7N207 F208 Y212N207-K210 PolarHBondContact O-N 3.42Å; F208-K210 PolarHBondContact O-N 3.22Å; K210-Y212 PolarHBondContact O-N 2.72Å
211S41.1Very low54.5Low60 Ų6098.8 Ų98.842%0.4255%0.546SS..  trans-86.356.7178.659.50000113.1F208F208-S211 PolarHBondContact O-N 2.81Å; F208-S211 PolarHBondContact O-OG 3.17Å
212Y46.3Very low54.4Low143 Ų14398.4 Ų98.456%0.56154%0.543SS*.  trans-109.136.7154.2-90.3-82.7000109.3K210 S214 E268 R308K210-Y212 PolarHBondContact O-N 2.72Å; Y212-S214 PolarHBondContact O-N 3.39Å; Y212-E268 WeakPolarHBondContact CE1-OE1 3.27Å; Y212-E268 PolarHBondContact OH-OE1 2.85Å; Y212-E268 VanDerWaalsContact OH-OE1 3.13Å; Y212-R308 PolarHBondContact OH-NH2 3.25Å
213D38.9Very low54.5Low110 Ų11097.7 Ų97.759%0.58853%0.534SS*.  trans-74.2109.2171.7-142.8-11.3000107.3H215 T216D213-H215 PolarHBondContact O-N 3.3Å; D213-T216 PolarHBondContact O-N 2.91Å; D213-T216 PolarHBondContact O-OG1 2.86Å
214S45.2Very low54.8Low104 Ų10496.9 Ų96.973%0.72753%0.53SS*.THydrogen-bonded Turntrans-63.86.8-171730000114.9Y212Y212-S214 PolarHBondContact O-N 3.39Å
215H42.9Very low55.7Low162 Ų16299.3 Ų99.375%0.7554%0.54SS*.THydrogen-bonded Turntrans-114.1-2.9-173.5-66.1-51.4000114.7D213D213-H215 PolarHBondContact O-N 3.3Å
216T41.2Very low57Low101 Ų101102.2 Ų102.262%0.6256%0.556SS**  trans-101.1110.2168.249.50000110.1D213 G218D213-T216 PolarHBondContact O-N 2.91Å; D213-T216 PolarHBondContact O-OG1 2.86Å; T216-G218 PolarHBondContact O-N 3.03Å
217H42.6Very low58.6Low214 Ų21499.5 Ų99.599%0.99153%0.527SS*.  trans-64.127.3173-88-48000114.7
218G44.1Very low60.7Low43 Ų4392 Ų9244%0.44349%0.487SS..  trans-119.6107.9176.800000110.8T216 I220T216-G218 PolarHBondContact O-N 3.03Å; G218-I220 PolarHBondContact O-N 3.12Å
219N53.3Low62.7Low147 Ų14789.1 Ų89.179%0.78648%0.476SS*.  trans-64.475.7167-77.3-27.9000110E221N219-E221 PolarHBondContact O-N 3.14Å
220I56.9Low64.9Low119 Ų11987 Ų8761%0.6146%0.463SS*.  trans-79.6106.9167.3-60.8173.3000106.2G218G218-I220 PolarHBondContact O-N 3.12Å
221E65Low67.5Low75 Ų7578 Ų7835%0.3543%0.425SS..  trans-56.5127.6174.3-172.9168.8-154.200109.3N219 I223 A309 N310N219-E221 PolarHBondContact O-N 3.14Å; E221-I223 PolarHBondContact O-N 3.34Å; E221-A309 VanDerWaalsContact OE1-C 3.23Å; E221-A309 WeakPolarHBondContact OE1-CA 3.5Å; E221-A309 WeakPolarHBondContact OE1-CB 3.2Å; E221-A309 PolarHBondContact OE1-N 3.35Å; E221-N310 HydrophobicContact CG-CB 3.96Å; E221-N310 PolarHBondContact OE1-N 2.82Å
222P69.3Low70.1Confident26 Ų2675.2 Ų75.217%0.16941%0.405CS..  trans-60.2128.5-179.623-32.4000109.8T204 F224 N310T204-P222 HydrophobicContact CG2-CB 3.77Å; P222-F224 PolarHBondContact O-N 3.17Å; P222-N310 HydrophobicContact CG-CB 3.77Å; P222-N310 WeakPolarHBondContact CG-ND2 3.49Å
223I79.6Confident72.5Confident91 Ų9173.6 Ų73.647%0.46741%0.406SS..  trans-77.3113.8178.8-57.7173.6000108T204 A205 E221T204-I223 CarbonylContact C-O 3.38Å; T204-I223 VanDerWaalsContact CA-O 3.3Å; T204-I223 WeakPolarHBondContact CA-O 3.48Å; T204-I223 WeakPolarHBondContact CB-O 3.32Å; A205-I223 PolarHBondContact N-O 2.96Å; E221-I223 PolarHBondContact O-N 3.34Å
224F88.1Confident75.3Confident6 Ų670.5 Ų70.53%0.02639%0.389CS..BIsolated β-bridgetrans-71.1153.7173.6-73.2-44.4000111.7L203 T204 P222 V228 D229 N310 K313 E314L203-F224 HydrophobicContact CB-CD1 3.73Å; L203-F224 HydrophobicContact CB-CE1 3.76Å; L203-F224 HydrophobicContact CD1-CE1 4.4Å; L203-F224 WeakPolarHBondContact O-CA 3.44Å; L203-F224 WeakPolarHBondContact O-CD1 3.31Å; T204-F224 HydrophobicContact CG2-CD1 4.2Å; T204-F224 HydrophobicContact CG2-CE1 4.38Å; P222-F224 PolarHBondContact O-N 3.17Å; F224-V228 HydrophobicContact CB-CB 4.06Å; F224-V228 HydrophobicContact CB-CG1 3.99Å; F224-V228 HydrophobicContact CD1-CG1 4.23Å; F224-V228 HydrophobicContact CD2-CG1 4.32Å; F224-V228 HydrophobicContact CG-CG1 3.94Å; F224-D229 WeakPolarHBondContact CB-OD1 3.23Å; F224-N310 HydrophobicContact CE2-CB 4.05Å; F224-N310 HydrophobicContact CZ-CB 3.98Å; F224-K313 HydrophobicContact CD2-CB 4.29Å; F224-K313 HydrophobicContact CD2-CD 3.53Å; F224-K313 HydrophobicContact CE2-CB 3.59Å; F224-K313 HydrophobicContact CE2-CD 3.59Å; F224-K313 HydrophobicContact CE2-CG 4.22Å; F224-K313 HydrophobicContact CZ-CB 4.44Å; F224-E314 HydrophobicContact CZ-CG 4.01Å
225H92.2Very high77.8Confident71 Ų7165.5 Ų65.533%0.32935%0.354SS..  trans-60.3141.1171-176.7-85.9000110Y189 L203 C227 V228 D229Y189-H225 AromaticContact CE2-CE1 3.7Å; Y189-H225 AromaticContact CZ-CE1 3.9Å; L203-H225 PolarHBondContact O-N 2.93Å; H225-C227 VanDerWaalsContact C-N 3.26Å; H225-C227 PolarHBondContact ND1-N 2.93Å; H225-C227 PolarHBondContact O-N 3.43Å; H225-C227 VanDerWaalsContact O-N 3.1Å; H225-V228 HydrophobicContact CB-CG2 3.99Å; H225-V228 WeakPolarHBondContact O-CA 3.27Å; H225-V228 VanDerWaalsContact O-CB 3.27Å; H225-V228 WeakPolarHBondContact O-CB 3.44Å; H225-V228 PolarHBondContact O-N 3.23Å; H225-D229 PolarHBondContact O-N 2.81Å; H225-D229 VanDerWaalsContact O-N 3.13Å
226P93.6Very high80.3Confident90 Ų9058.7 Ų58.758%0.58432%0.323SS*.Hα-helixtrans-50.9-39-176.4-31.436.3000115.1V228 D229 A230P226-V228 VanDerWaalsContact C-N 3.32Å; P226-V228 PolarHBondContact O-N 3.27Å; P226-D229 PolarHBondContact O-N 3.41Å; P226-A230 WeakPolarHBondContact O-CB 3.38Å; P226-A230 PolarHBondContact O-N 3.21Å
227C93.8Very high82.7Confident3 Ų360.6 Ų60.62%0.0232%0.324CS..Hα-helixtrans-62-36.9174.5171.40000113.1Y189 H225 A231Y189-C227 HydrophobicContact CE1-CB 3.88Å; Y189-C227 VanDerWaalsContact OH-CB 3.31Å; Y189-C227 WeakPolarHBondContact OH-CB 3.4Å; H225-C227 VanDerWaalsContact C-N 3.26Å; H225-C227 PolarHBondContact ND1-N 2.93Å; H225-C227 PolarHBondContact O-N 3.43Å; H225-C227 VanDerWaalsContact O-N 3.1Å; C227-A231 WeakPolarHBondContact O-CB 3.44Å; C227-A231 PolarHBondContact O-N 3.01Å
228V95.2Very high85.2Confident3 Ų352 Ų522%0.01828%0.283CS..Hα-helixtrans-67.2-43.9176.7179.50000110.2L192 L203 F224 H225 P226 A231 C232 L317L192-V228 HydrophobicContact CD1-CB 4.23Å; L192-V228 HydrophobicContact CD1-CG1 4.34Å; L192-V228 HydrophobicContact CD1-CG2 3.83Å; L192-V228 HydrophobicContact CD2-CG2 3.79Å; L192-V228 HydrophobicContact CG-CG2 4.45Å; L203-V228 HydrophobicContact CB-CG1 4.36Å; L203-V228 HydrophobicContact CB-CG2 4.42Å; L203-V228 HydrophobicContact CD2-CG2 4.33Å; F224-V228 HydrophobicContact CB-CB 4.06Å; F224-V228 HydrophobicContact CB-CG1 3.99Å; F224-V228 HydrophobicContact CD1-CG1 4.23Å; F224-V228 HydrophobicContact CD2-CG1 4.32Å; F224-V228 HydrophobicContact CG-CG1 3.94Å; H225-V228 HydrophobicContact CB-CG2 3.99Å; H225-V228 WeakPolarHBondContact O-CA 3.27Å; H225-V228 VanDerWaalsContact O-CB 3.27Å; H225-V228 WeakPolarHBondContact O-CB 3.44Å; H225-V228 PolarHBondContact O-N 3.23Å; P226-V228 VanDerWaalsContact C-N 3.32Å; P226-V228 PolarHBondContact O-N 3.27Å; V228-A231 PolarHBondContact O-N 3.06Å; V228-C232 PolarHBondContact O-N 3.12Å; V228-C232 PolarHBondContact O-SG 3.1Å; V228-L317 HydrophobicContact CG1-CD1 3.67Å
229D94.6Very high87.7Confident44 Ų4450 Ų5024%0.23526%0.262CS..Hα-helixtrans-63-47.7176.6-84.2-18.2000111.8F224 H225 P226 A231 C232 D233 K313F224-D229 WeakPolarHBondContact CB-OD1 3.23Å; H225-D229 PolarHBondContact O-N 2.81Å; H225-D229 VanDerWaalsContact O-N 3.13Å; P226-D229 PolarHBondContact O-N 3.41Å; D229-A231 VanDerWaalsContact C-N 3.29Å; D229-A231 PolarHBondContact O-N 3.11Å; D229-C232 WeakPolarHBondContact O-CA 3.42Å; D229-C232 WeakPolarHBondContact O-CB 3.38Å; D229-C232 PolarHBondContact O-N 3.17Å; D229-D233 PolarHBondContact O-N 2.96Å; D229-K313 WeakPolarHBondContact OD1-CE 3.34Å; D229-K313 IonicContact OD1-NZ 3.7Å; D229-K313 PolarHBondContact OD1-NZ 2.82Å; D229-K313 IonicContact OD2-NZ 2.8Å
230A96.2Very high89.7Confident25 Ų2544.6 Ų44.621%0.20724%0.235CC..Hα-helixtrans-60.9-38.1177.400000112.4R145 P226 D233 I234R145-A230 VanDerWaalsContact CZ-CB 3.49Å; P226-A230 WeakPolarHBondContact O-CB 3.38Å; P226-A230 PolarHBondContact O-N 3.21Å; A230-D233 PolarHBondContact O-N 2.88Å; A230-I234 PolarHBondContact O-N 3.14Å
231A97.3Very high91.5Very high2 Ų242.5 Ų42.52%0.01723%0.228CC..Hα-helixtrans-64.7-42.5172.200000111.9L192 C227 V228 D229 D233 I234 L235 Y321L192-A231 HydrophobicContact CD1-CB 4.4Å; C227-A231 WeakPolarHBondContact O-CB 3.44Å; C227-A231 PolarHBondContact O-N 3.01Å; V228-A231 PolarHBondContact O-N 3.06Å; D229-A231 VanDerWaalsContact C-N 3.29Å; D229-A231 PolarHBondContact O-N 3.11Å; A231-D233 VanDerWaalsContact C-N 3.32Å; A231-D233 PolarHBondContact O-N 3.32Å; A231-I234 PolarHBondContact O-N 3.34Å; A231-L235 WeakPolarHBondContact O-CB 3.31Å; A231-L235 WeakPolarHBondContact O-CG 3.37Å; A231-L235 PolarHBondContact O-N 3.21Å; A231-Y321 HydrophobicContact CB-CD2 3.91Å; A231-Y321 HydrophobicContact CB-CE2 3.59Å
232C96.5Very high93Very high0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-62.6-37.6177.9-71.60000112.6V228 D229 I234 L235 M236 K313V228-C232 PolarHBondContact O-N 3.12Å; V228-C232 PolarHBondContact O-SG 3.1Å; D229-C232 WeakPolarHBondContact O-CA 3.42Å; D229-C232 WeakPolarHBondContact O-CB 3.38Å; D229-C232 PolarHBondContact O-N 3.17Å; C232-I234 VanDerWaalsContact C-N 3.33Å; C232-I234 PolarHBondContact O-N 3.48Å; C232-L235 PolarHBondContact O-N 2.95Å; C232-M236 VanDerWaalsContact O-CB 3.29Å; C232-M236 WeakPolarHBondContact O-CB 3.43Å; C232-M236 PolarHBondContact O-N 3.1Å; C232-K313 HydrophobicContact CB-CB 4.4Å; C232-K313 HydrophobicContact CB-CD 4.14Å; C232-K313 HydrophobicContact CB-CG 3.84Å; C232-K313 VanDerWaalsContact SG-CB 3.6Å
233D95.9Very high94.2Very high110 Ų11037.9 Ų37.959%0.58820%0.203SC*.Hα-helixtrans-61.5-41.6178.5-71.4-20.4000111.7D229 A230 A231 H237D229-D233 PolarHBondContact O-N 2.96Å; A230-D233 PolarHBondContact O-N 2.88Å; A231-D233 VanDerWaalsContact C-N 3.32Å; A231-D233 PolarHBondContact O-N 3.32Å; D233-H237 PolarHBondContact O-CD2 2.9Å
234I97.1Very high94.8Very high44 Ų4433.8 Ų33.823%0.22618%0.183CC..Hα-helixtrans-63.5-49.2172.2-66.1170.3000110.6L141 R145 A230 A231 C232 R238L141-I234 HydrophobicContact CB-CG2 3.92Å; L141-I234 HydrophobicContact CD1-CG2 4.27Å; R145-I234 HydrophobicContact CB-CD1 4.15Å; R145-I234 HydrophobicContact CG-CD1 4.42Å; A230-I234 PolarHBondContact O-N 3.14Å; A231-I234 PolarHBondContact O-N 3.34Å; C232-I234 VanDerWaalsContact C-N 3.33Å; C232-I234 PolarHBondContact O-N 3.48Å; I234-R238 WeakPolarHBondContact O-CG 3.37Å
235L97.9Very high95Very high0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-76.5-27.9-168.4-66.7173.6000113.5A231 C232 H237 R238 F239 V316 L317 Y321A231-L235 WeakPolarHBondContact O-CB 3.31Å; A231-L235 WeakPolarHBondContact O-CG 3.37Å; A231-L235 PolarHBondContact O-N 3.21Å; C232-L235 PolarHBondContact O-N 2.95Å; L235-H237 VanDerWaalsContact C-N 3.3Å; L235-H237 PolarHBondContact O-N 3.07Å; L235-R238 CarbonylContact O-C 3.59Å; L235-R238 PolarHBondContact O-N 3.02Å; L235-R238 VanDerWaalsContact O-N 3.11Å; L235-F239 WeakPolarHBondContact O-CB 3.31Å; L235-F239 PolarHBondContact O-N 3.16Å; L235-V316 HydrophobicContact CB-CG1 3.39Å; L235-L317 HydrophobicContact CD1-CD2 4.08Å; L235-Y321 HydrophobicContact CD1-CD2 3.83Å; L235-Y321 HydrophobicContact CD1-CG 4.39Å
236M95.3Very high94.8Very high19 Ų1931.8 Ų31.89%0.09418%0.18CC..Hα-helixtrans-58.1-42.5-176.6-170.164.959.300112.3C232 W296 L312 K313 V316C232-M236 VanDerWaalsContact O-CB 3.29Å; C232-M236 WeakPolarHBondContact O-CB 3.43Å; C232-M236 PolarHBondContact O-N 3.1Å; M236-W296 HydrophobicContact SD-CZ2 4.22Å; M236-L312 HydrophobicContact CE-CD2 3.61Å; M236-L312 HydrophobicContact CE-CG 3.8Å; M236-L312 HydrophobicContact SD-CD2 3.67Å; M236-L312 HydrophobicContact SD-CG 3.97Å; M236-K313 HydrophobicContact CE-CG 4.37Å; M236-V316 HydrophobicContact CE-CG2 4.04Å; M236-V316 HydrophobicContact SD-CG2 4Å
237H91.7Very high94.7Very high140 Ų14032.4 Ų32.465%0.64818%0.178SC*.Hα-helixtrans-69.3-41.8177.3-67.3-74.3000111.3D233 L235 F239 T240D233-H237 PolarHBondContact O-CD2 2.9Å; L235-H237 VanDerWaalsContact C-N 3.3Å; L235-H237 PolarHBondContact O-N 3.07Å; H237-F239 PolarHBondContact O-N 3.46Å; H237-T240 PolarHBondContact O-N 3.43Å
238R96.3Very high94.7Very high35 Ų3532.3 Ų32.313%0.13218%0.177CC..Hα-helixtrans-71.8-30.4-177.6-62.9179.5135.5-72.6-9.3113S138 I234 L235 T240 T241 Y242 D359S138-R238 WeakPolarHBondContact OG-CD 3.37Å; S138-R238 PolarHBondContact OG-NH1 3.34Å; I234-R238 WeakPolarHBondContact O-CG 3.37Å; L235-R238 CarbonylContact O-C 3.59Å; L235-R238 PolarHBondContact O-N 3.02Å; L235-R238 VanDerWaalsContact O-N 3.11Å; R238-T240 PolarHBondContact O-N 3.09Å; R238-T241 PolarHBondContact O-N 3.43Å; R238-Y242 PolarHBondContact O-N 2.74Å; R238-D359 IonicContact CZ-OD1 3.65Å; R238-D359 IonicContact NH1-OD1 3.76Å; R238-D359 IonicContact NH2-OD1 2.68Å; R238-D359 PolarHBondContact NH2-OD1 3.39Å; R238-D359 IonicContact NH2-OD2 4Å; R238-D359 PolarHBondContact NH2-OD2 3.36Å
239F96.9Very high94.6Very high0 Ų032.1 Ų32.10%018%0.177CC..Hα-helixtrans-60.7-33.6177.3-173.2-90.7000111.7L235 H237 T241 Y242 C243 L251 L261 W296 I315 V316 F319 T320L235-F239 WeakPolarHBondContact O-CB 3.31Å; L235-F239 PolarHBondContact O-N 3.16Å; H237-F239 PolarHBondContact O-N 3.46Å; F239-T241 PolarHBondContact O-N 3.28Å; F239-Y242 HydrophobicContact CD2-CD1 4.29Å; F239-Y242 HydrophobicContact CE2-CD1 4.28Å; F239-Y242 CarbonylContact O-C 3.57Å; F239-Y242 PolarHBondContact O-N 2.93Å; F239-C243 HydrophobicContact CD1-CB 4.14Å; F239-C243 HydrophobicContact CE1-CB 3.75Å; F239-C243 HydrophobicContact CZ-CB 4.16Å; F239-C243 WeakPolarHBondContact O-CB 3.33Å; F239-C243 PolarHBondContact O-N 3.38Å; F239-C243 PolarHBondContact O-SG 3.32Å; F239-L251 HydrophobicContact CE2-CD1 4.07Å; F239-L251 HydrophobicContact CZ-CD1 3.77Å; F239-L261 HydrophobicContact CZ-CD1 4.24Å; F239-W296 AromaticContact CD1-CD2 3.85Å; F239-W296 HydrophobicContact CD1-CD2 3.85Å; F239-W296 AromaticContact CD1-CE2 3.37Å; F239-W296 HydrophobicContact CD1-CE3 4.24Å; F239-W296 HydrophobicContact CD1-CG 4.49Å; F239-W296 AromaticContact CD1-CH2 3.65Å; F239-W296 HydrophobicContact CD1-CH2 3.65Å; F239-W296 AromaticContact CD1-CZ2 3.28Å; F239-W296 HydrophobicContact CD1-CZ2 3.28Å; F239-W296 HydrophobicContact CD1-CZ3 4.14Å; F239-W296 AromaticContact CD1-NE1 3.81Å; F239-W296 AromaticContact CE1-CD2 3.62Å; F239-W296 HydrophobicContact CE1-CD2 3.62Å; F239-W296 AromaticContact CE1-CE2 3.64Å; F239-W296 AromaticContact CE1-CE3 3.62Å; F239-W296 HydrophobicContact CE1-CE3 3.62Å; F239-W296 HydrophobicContact CE1-CG 4.33Å; F239-W296 AromaticContact CE1-CH2 3.55Å; F239-W296 HydrophobicContact CE1-CH2 3.55Å; F239-W296 AromaticContact CE1-CZ2 3.63Å; F239-W296 HydrophobicContact CE1-CZ2 3.63Å; F239-W296 AromaticContact CE1-CZ3 3.58Å; F239-W296 HydrophobicContact CE1-CZ3 3.58Å; F239-W296 HydrophobicContact CG-CZ2 4.2Å; F239-W296 HydrophobicContact CZ-CH2 4.4Å; F239-W296 HydrophobicContact CZ-CZ3 4.34Å; F239-I315 HydrophobicContact CE2-CG2 4.43Å; F239-I315 HydrophobicContact CZ-CG2 4.03Å; F239-V316 HydrophobicContact CB-CG1 4.19Å; F239-V316 HydrophobicContact CB-CG2 4.03Å; F239-V316 HydrophobicContact CD1-CG2 4.28Å; F239-V316 HydrophobicContact CD2-CB 4.37Å; F239-V316 HydrophobicContact CD2-CG1 4.43Å; F239-V316 HydrophobicContact CD2-CG2 4.07Å; F239-V316 HydrophobicContact CG-CG2 3.86Å; F239-F319 HydrophobicContact CD2-CB 4.35Å; F239-F319 HydrophobicContact CE2-CB 3.67Å; F239-F319 HydrophobicContact CE2-CG 4.16Å; F239-T320 HydrophobicContact CD2-CG2 3.7Å; F239-T320 HydrophobicContact CE2-CG2 4.41Å
240T94.4Very high94.6Very high34 Ų3430.7 Ų30.721%0.20917%0.169CC..Hα-helixtrans-62.4-43.1178.6-54.80000111.6H237 R238 C243 S244 T293 W296H237-T240 PolarHBondContact O-N 3.43Å; R238-T240 PolarHBondContact O-N 3.09Å; T240-C243 PolarHBondContact O-SG 3.41Å; T240-S244 PolarHBondContact O-N 3.02Å; T240-T293 HydrophobicContact CG2-CG2 3.95Å; T240-W296 PolarHBondContact OG1-NE1 3.42Å
241T93.8Very high94.5Very high75 Ų7529.5 Ų29.546%0.4616%0.159SC..Hα-helixtrans-69-43173.4-54.70000110.8R238 F239 C243 S244 N247 G248R238-T241 PolarHBondContact O-N 3.43Å; F239-T241 PolarHBondContact O-N 3.28Å; T241-C243 VanDerWaalsContact C-N 3.32Å; T241-C243 PolarHBondContact O-N 3.08Å; T241-S244 WeakPolarHBondContact O-CB 3.5Å; T241-S244 PolarHBondContact O-N 3.38Å; T241-S244 PolarHBondContact O-OG 3.26Å; T241-N247 HydrophobicContact CG2-CB 4.39Å; T241-G248 VanDerWaalsContact O-CA 3.29Å; T241-G248 WeakPolarHBondContact O-CA 3.4Å
242Y96.4Very high94.3Very high3 Ų329.4 Ų29.41%0.01216%0.158CC..Hα-helixtrans-61.8-35.9179179.1-101.5000113.3V114 L135 R238 F239 G248 Q249 L251 F319 T320V114-Y242 VanDerWaalsContact C-OH 3.27Å; V114-Y242 PolarHBondContact O-OH 3.2Å; L135-Y242 HydrophobicContact CD1-CE2 3.73Å; L135-Y242 HydrophobicContact CD2-CD2 3.93Å; L135-Y242 HydrophobicContact CD2-CE2 3.44Å; L135-Y242 VanDerWaalsContact CD2-CE2 3.44Å; L135-Y242 HydrophobicContact CG-CD2 4.09Å; L135-Y242 HydrophobicContact CG-CE2 3.56Å; R238-Y242 PolarHBondContact O-N 2.74Å; F239-Y242 HydrophobicContact CD2-CD1 4.29Å; F239-Y242 HydrophobicContact CE2-CD1 4.28Å; F239-Y242 CarbonylContact O-C 3.57Å; F239-Y242 PolarHBondContact O-N 2.93Å; Y242-G248 CarbonylContact O-C 3.51Å; Y242-G248 WeakPolarHBondContact O-CA 3.2Å; Y242-Q249 HydrophobicContact CD1-CG 4.46Å; Y242-Q249 HydrophobicContact CD2-CG 3.98Å; Y242-Q249 HydrophobicContact CE1-CG 3.94Å; Y242-Q249 HydrophobicContact CE2-CG 3.39Å; Y242-Q249 HydrophobicContact CG-CG 4.49Å; Y242-Q249 PolarHBondContact O-N 3.07Å; Y242-L251 HydrophobicContact CD1-CD1 4.07Å; Y242-L251 HydrophobicContact CE1-CD1 3.94Å; Y242-F319 HydrophobicContact CE1-CB 3.98Å; Y242-F319 HydrophobicContact CE1-CD1 4.03Å; Y242-F319 HydrophobicContact CE1-CG 4.47Å; Y242-T320 HydrophobicContact CD1-CG2 3.5Å; Y242-T320 VanDerWaalsContact CD1-CG2 3.5Å; Y242-T320 HydrophobicContact CD2-CG2 4.31Å; Y242-T320 HydrophobicContact CE1-CG2 3.95Å; Y242-T320 HydrophobicContact CG-CG2 3.69Å
243C94.6Very high94.1Very high0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-83.5-19.5-178.675.90000113.2F239 T240 T241 N250 L251 F252 S292F239-C243 HydrophobicContact CD1-CB 4.14Å; F239-C243 HydrophobicContact CE1-CB 3.75Å; F239-C243 HydrophobicContact CZ-CB 4.16Å; F239-C243 WeakPolarHBondContact O-CB 3.33Å; F239-C243 PolarHBondContact O-N 3.38Å; F239-C243 PolarHBondContact O-SG 3.32Å; T240-C243 PolarHBondContact O-SG 3.41Å; T241-C243 VanDerWaalsContact C-N 3.32Å; T241-C243 PolarHBondContact O-N 3.08Å; C243-N250 PolarHBondContact O-N 2.69Å; C243-L251 HydrophobicContact CB-CB 4.35Å; C243-L251 HydrophobicContact CB-CD1 3.86Å; C243-L251 HydrophobicContact CB-CG 4.19Å; C243-L251 PolarHBondContact O-N 3.41Å; C243-F252 HydrophobicContact CB-CE2 4.43Å; C243-S292 WeakPolarHBondContact O-CB 3.23Å
244S93.6Very high93.8Very high5 Ų526 Ų264%0.03514%0.14CC..  trans-52.4156.4-175.770.60000114T240 T241 N247 G248 Q249 N250 E290T240-S244 PolarHBondContact O-N 3.02Å; T241-S244 WeakPolarHBondContact O-CB 3.5Å; T241-S244 PolarHBondContact O-N 3.38Å; T241-S244 PolarHBondContact O-OG 3.26Å; S244-N247 PolarHBondContact OG-N 3.38Å; S244-G248 CarbonylContact O-C 3.56Å; S244-G248 VanDerWaalsContact O-C 3.29Å; S244-G248 VanDerWaalsContact O-CA 3.24Å; S244-G248 WeakPolarHBondContact O-CA 3.49Å; S244-G248 PolarHBondContact O-N 3.21Å; S244-G248 PolarHBondContact OG-N 2.94Å; S244-Q249 PolarHBondContact O-N 2.87Å; S244-N250 WeakPolarHBondContact O-CA 3.34Å; S244-N250 PolarHBondContact O-N 2.92Å; S244-E290 WeakPolarHBondContact CB-OE2 3.49Å
245T91.7Very high93.6Very high0 Ų026.5 Ų26.50%014%0.141CC..SBendtrans-71.9-53.1-176.7-64.30000110.6R131 N250 E290 S292R131-T245 PolarHBondContact NH2-O 3.13Å; T245-N250 PolarHBondContact OG1-OD1 3.18Å; T245-E290 PolarHBondContact N-OE2 3.41Å; T245-S292 PolarHBondContact OG1-N 3.33Å
246A88.4Confident93.3Very high35 Ų3534 Ų3429%0.28917%0.174SC..SBendtrans-79.6-47.6-174.900000113E290A246-E290 WeakPolarHBondContact CB-OE1 3.49Å; A246-E290 PolarHBondContact N-OE1 3.34Å
247N90.7Very high93.2Very high104 Ų10435.5 Ų35.556%0.55618%0.178SC*.SBendtrans-96.9-13.4-170.8-61.6-52.4000113.7R131 T241 S244R131-N247 WeakPolarHBondContact CA-O 3.34Å; T241-N247 HydrophobicContact CG2-CB 4.39Å; S244-N247 PolarHBondContact OG-N 3.38Å
248G93.6Very high93.3Very high0 Ų028.9 Ų28.90%015%0.147CC..SBendtrans-115.7-148.3-171.400000112.8R131 T241 Y242 S244R131-G248 PolarHBondContact NE-O 3.03Å; R131-G248 PolarHBondContact NH2-O 3.13Å; T241-G248 VanDerWaalsContact O-CA 3.29Å; T241-G248 WeakPolarHBondContact O-CA 3.4Å; Y242-G248 CarbonylContact O-C 3.51Å; Y242-G248 WeakPolarHBondContact O-CA 3.2Å; S244-G248 CarbonylContact O-C 3.56Å; S244-G248 VanDerWaalsContact O-C 3.29Å; S244-G248 VanDerWaalsContact O-CA 3.24Å; S244-G248 WeakPolarHBondContact O-CA 3.49Å; S244-G248 PolarHBondContact O-N 3.21Å; S244-G248 PolarHBondContact OG-N 2.94Å
249Q94.6Very high93.1Very high0 Ų030.2 Ų30.20%016%0.157CC..  trans-98.43.6-176.6-60.1-49.7-51.700113.7Y116 C117 R131 Y242 S244 L251 R257Y116-Q249 HydrophobicContact CD2-CB 4.01Å; C117-Q249 PolarHBondContact SG-NE2 2.81Å; C117-Q249 PolarHBondContact SG-OE1 3.02Å; R131-Q249 VanDerWaalsContact C-NE2 3.34Å; R131-Q249 PolarHBondContact O-NE2 3.46Å; Y242-Q249 HydrophobicContact CD1-CG 4.46Å; Y242-Q249 HydrophobicContact CD2-CG 3.98Å; Y242-Q249 HydrophobicContact CE1-CG 3.94Å; Y242-Q249 HydrophobicContact CE2-CG 3.39Å; Y242-Q249 HydrophobicContact CG-CG 4.49Å; Y242-Q249 PolarHBondContact O-N 3.07Å; S244-Q249 PolarHBondContact O-N 2.87Å; Q249-L251 VanDerWaalsContact C-N 3.33Å; Q249-L251 HydrophobicContact CB-CD2 3.59Å; Q249-L251 HydrophobicContact CB-CG 4.03Å; Q249-L251 PolarHBondContact O-N 2.96Å; Q249-R257 PolarHBondContact O-NH1 2.91Å
250N93.6Very high92.9Very high13 Ų1332.5 Ų32.57%0.0717%0.167CC..  trans47.952.8-175.2-165.625.2000111.9C243 S244 T245 F252 G253 V284 S292C243-N250 PolarHBondContact O-N 2.69Å; S244-N250 WeakPolarHBondContact O-CA 3.34Å; S244-N250 PolarHBondContact O-N 2.92Å; T245-N250 PolarHBondContact OG1-OD1 3.18Å; N250-F252 VanDerWaalsContact C-N 3.27Å; N250-F252 PolarHBondContact O-N 3.2Å; N250-G253 PolarHBondContact O-N 3.12Å; N250-G253 WeakPolarHBondContact OD1-CA 3.5Å; N250-G253 PolarHBondContact OD1-N 3.06Å; N250-V284 PolarHBondContact ND2-O 3.17Å; N250-S292 VanDerWaalsContact C-OG 3.25Å; N250-S292 WeakPolarHBondContact CA-OG 3.2Å; N250-S292 PolarHBondContact OD1-OG 2.71Å
251L94.1Very high92.9Very high0 Ų030.9 Ų30.90%016%0.157CC..THydrogen-bonded Turntrans-66.1-27.1-168.1-65.5-176.9000113.7Y116 F239 Y242 C243 Q249 R257 L258 L261 S292 F319Y116-L251 HydrophobicContact CD2-CD2 3.93Å; Y116-L251 HydrophobicContact CE2-CD2 3.5Å; Y116-L251 VanDerWaalsContact CE2-CD2 3.5Å; F239-L251 HydrophobicContact CE2-CD1 4.07Å; F239-L251 HydrophobicContact CZ-CD1 3.77Å; Y242-L251 HydrophobicContact CD1-CD1 4.07Å; Y242-L251 HydrophobicContact CE1-CD1 3.94Å; C243-L251 HydrophobicContact CB-CB 4.35Å; C243-L251 HydrophobicContact CB-CD1 3.86Å; C243-L251 HydrophobicContact CB-CG 4.19Å; C243-L251 PolarHBondContact O-N 3.41Å; Q249-L251 VanDerWaalsContact C-N 3.33Å; Q249-L251 HydrophobicContact CB-CD2 3.59Å; Q249-L251 HydrophobicContact CB-CG 4.03Å; Q249-L251 PolarHBondContact O-N 2.96Å; L251-R257 CarbonylContact O-C 3.52Å; L251-R257 VanDerWaalsContact O-C 3.31Å; L251-R257 WeakPolarHBondContact O-CB 3.32Å; L251-L258 WeakPolarHBondContact O-CA 3.41Å; L251-L258 PolarHBondContact O-N 3.46Å; L251-L258 VanDerWaalsContact O-N 3.09Å; L251-L261 HydrophobicContact CB-CD1 4.07Å; L251-L261 HydrophobicContact CD1-CD1 4.06Å; L251-S292 PolarHBondContact N-OG 3.19Å; L251-F319 HydrophobicContact CD1-CD1 3.8Å; L251-F319 HydrophobicContact CD1-CE1 3.98Å; L251-F319 HydrophobicContact CD1-CG 4.34Å; L251-F319 HydrophobicContact CD2-CD1 4.14Å; L251-F319 HydrophobicContact CD2-CE1 3.81Å
252F94.2Very high93Very high0 Ų027.4 Ų27.40%014%0.136CC..THydrogen-bonded Turntrans-106.5-6.3179.8-58.9-105000112.7C243 N250 L258 L261 W280 S292 R295 W296 L299C243-F252 HydrophobicContact CB-CE2 4.43Å; N250-F252 VanDerWaalsContact C-N 3.27Å; N250-F252 PolarHBondContact O-N 3.2Å; F252-L258 HydrophobicContact CB-CD1 4.41Å; F252-L258 HydrophobicContact CD1-CD1 3.65Å; F252-L258 HydrophobicContact CE1-CD1 4.29Å; F252-L258 HydrophobicContact CG-CD1 4.35Å; F252-L261 HydrophobicContact CD2-CD1 4.42Å; F252-L261 HydrophobicContact CE1-CD1 4.21Å; F252-L261 HydrophobicContact CE1-CD2 3.82Å; F252-L261 HydrophobicContact CE2-CD1 3.62Å; F252-L261 HydrophobicContact CZ-CD1 3.47Å; F252-L261 VanDerWaalsContact CZ-CD1 3.47Å; F252-L261 HydrophobicContact CZ-CD2 3.71Å; F252-L261 HydrophobicContact CZ-CG 4.27Å; F252-W280 AromaticContact CD1-CE3 3.92Å; F252-W280 HydrophobicContact CD1-CE3 3.92Å; F252-W280 AromaticContact CD1-CZ3 3.7Å; F252-W280 HydrophobicContact CD1-CZ3 3.7Å; F252-W280 AromaticContact CE1-CZ3 3.88Å; F252-W280 HydrophobicContact CE1-CZ3 3.88Å; F252-S292 PolarHBondContact N-OG 3.32Å; F252-R295 HydrophobicContact CB-CB 3.72Å; F252-R295 HydrophobicContact CB-CG 4.34Å; F252-R295 HydrophobicContact CD1-CB 3.73Å; F252-R295 HydrophobicContact CG-CB 3.81Å; F252-R295 PolarHBondContact O-NH1 3.07Å; F252-W296 HydrophobicContact CD2-CB 4.26Å; F252-W296 HydrophobicContact CE2-CB 3.72Å; F252-W296 HydrophobicContact CE2-CE3 4.12Å; F252-W296 HydrophobicContact CE2-CG 4.44Å; F252-W296 HydrophobicContact CZ-CB 4.11Å; F252-W296 AromaticContact CZ-CE3 3.75Å; F252-W296 HydrophobicContact CZ-CE3 3.75Å; F252-L299 HydrophobicContact CE1-CD2 3.93Å; F252-L299 HydrophobicContact CZ-CD2 4.13Å
253G90.6Very high92.8Very high2 Ų230.7 Ų30.72%0.02116%0.159CC..SBendtrans-93-0.5-179.600000114.4N250 D283 V284 S292N250-G253 PolarHBondContact O-N 3.12Å; N250-G253 WeakPolarHBondContact OD1-CA 3.5Å; N250-G253 PolarHBondContact OD1-N 3.06Å; G253-D283 WeakPolarHBondContact O-CA 3.17Å; G253-V284 PolarHBondContact O-N 2.82Å; G253-S292 PolarHBondContact N-OG 3.44Å; G253-S292 VanDerWaalsContact N-OG 3.08Å
254N91.1Very high92.6Very high37 Ų3732.2 Ų32.220%0.19817%0.166CC..SBendtrans-130.5132.2171.9175.1-96.8000110.5K256 R257 L258 D283N254-K256 PolarHBondContact O-N 2.89Å; N254-K256 PolarHBondContact OD1-N 3.34Å; N254-R257 HydrophobicContact CB-CB 4.36Å; N254-R257 HydrophobicContact CB-CG 3.97Å; N254-R257 PolarHBondContact O-N 3.03Å; N254-R257 VanDerWaalsContact O-N 3.12Å; N254-R257 WeakPolarHBondContact OD1-CG 3.14Å; N254-R257 PolarHBondContact OD1-N 3.05Å; N254-L258 WeakPolarHBondContact O-CB 3.47Å; N254-L258 PolarHBondContact O-N 2.9Å; N254-D283 VanDerWaalsContact CA-OD1 3.31Å; N254-D283 WeakPolarHBondContact CA-OD1 3.4Å; N254-D283 PolarHBondContact ND2-OD2 3.09Å
255K91.7Very high92.4Very high55 Ų5532.2 Ų32.224%0.23917%0.165CC..Hα-helixtrans-55.9-46.3-173.6-172.564.6169.181.30113.4R257 L258 D259 S277 D283K255-R257 VanDerWaalsContact C-N 3.31Å; K255-R257 PolarHBondContact O-N 3.49Å; K255-L258 PolarHBondContact O-N 3.34Å; K255-D259 IonicContact NZ-OD1 3.52Å; K255-D259 PolarHBondContact NZ-OD1 3.48Å; K255-D259 IonicContact NZ-OD2 2.6Å; K255-D259 PolarHBondContact NZ-OD2 2.83Å; K255-D259 WeakPolarHBondContact O-CB 3.48Å; K255-D259 PolarHBondContact O-N 3.33Å; K255-S277 PolarHBondContact NZ-OG 2.76Å; K255-D283 PolarHBondContact N-OD1 3.29Å
256K91.8Very high92.3Very high158 Ų15833.6 Ų33.669%0.68717%0.174SC*.Hα-helixtrans-63.2-39.1-179.5-65.8-174.9178.5-178.30112N254 K260N254-K256 PolarHBondContact O-N 2.89Å; N254-K256 PolarHBondContact OD1-N 3.34Å; K256-K260 PolarHBondContact O-N 2.81Å; K256-K260 VanDerWaalsContact O-N 3.07Å
257R92.8Very high92.3Very high50 Ų5037.7 Ų37.719%0.18920%0.196CC..Hα-helixtrans-70.5-42178.8-54.1-177.1-169164.14.2111Y116 Q249 L251 N254 K255 K260 L261Y116-R257 HydrophobicContact CD1-CG 3.75Å; Y116-R257 HydrophobicContact CD2-CG 4.2Å; Y116-R257 HydrophobicContact CE1-CB 4.37Å; Y116-R257 HydrophobicContact CE1-CG 3.56Å; Y116-R257 HydrophobicContact CE2-CB 4.32Å; Y116-R257 HydrophobicContact CE2-CG 4.04Å; Y116-R257 HydrophobicContact CG-CG 4.04Å; Q249-R257 PolarHBondContact O-NH1 2.91Å; L251-R257 CarbonylContact O-C 3.52Å; L251-R257 VanDerWaalsContact O-C 3.31Å; L251-R257 WeakPolarHBondContact O-CB 3.32Å; N254-R257 HydrophobicContact CB-CB 4.36Å; N254-R257 HydrophobicContact CB-CG 3.97Å; N254-R257 PolarHBondContact O-N 3.03Å; N254-R257 VanDerWaalsContact O-N 3.12Å; N254-R257 WeakPolarHBondContact OD1-CG 3.14Å; N254-R257 PolarHBondContact OD1-N 3.05Å; K255-R257 VanDerWaalsContact C-N 3.31Å; K255-R257 PolarHBondContact O-N 3.49Å; R257-K260 PolarHBondContact O-N 3.37Å; R257-L261 PolarHBondContact O-N 2.91Å
258L94.5Very high92.3Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-60-48.4174.9175.664.7000110.2L251 F252 N254 K255 K260 L261 L262 W280L251-L258 WeakPolarHBondContact O-CA 3.41Å; L251-L258 PolarHBondContact O-N 3.46Å; L251-L258 VanDerWaalsContact O-N 3.09Å; F252-L258 HydrophobicContact CB-CD1 4.41Å; F252-L258 HydrophobicContact CD1-CD1 3.65Å; F252-L258 HydrophobicContact CE1-CD1 4.29Å; F252-L258 HydrophobicContact CG-CD1 4.35Å; N254-L258 WeakPolarHBondContact O-CB 3.47Å; N254-L258 PolarHBondContact O-N 2.9Å; K255-L258 PolarHBondContact O-N 3.34Å; L258-K260 VanDerWaalsContact C-N 3.34Å; L258-K260 PolarHBondContact O-N 3.5Å; L258-L261 CarbonylContact O-C 3.57Å; L258-L261 WeakPolarHBondContact O-CB 3.43Å; L258-L261 PolarHBondContact O-N 2.8Å; L258-L262 HydrophobicContact CD1-CD1 3.8Å; L258-L262 HydrophobicContact CD1-CD2 4.28Å; L258-L262 HydrophobicContact CD1-CG 3.81Å; L258-L262 HydrophobicContact CD2-CD1 4.38Å; L258-L262 HydrophobicContact CG-CD1 3.81Å; L258-L262 HydrophobicContact CG-CG 4.17Å; L258-L262 WeakPolarHBondContact O-CG 3.27Å; L258-L262 PolarHBondContact O-N 3.18Å; L258-W280 HydrophobicContact CD1-CE3 3.95Å; L258-W280 HydrophobicContact CD2-CB 3.71Å
259D93.1Very high92.2Very high64 Ų6438.3 Ų38.334%0.34220%0.196SC..Hα-helixtrans-62.7-41.1-179.5-69.2-14000111.7K255 L261 L262 S263K255-D259 IonicContact NZ-OD1 3.52Å; K255-D259 PolarHBondContact NZ-OD1 3.48Å; K255-D259 IonicContact NZ-OD2 2.6Å; K255-D259 PolarHBondContact NZ-OD2 2.83Å; K255-D259 WeakPolarHBondContact O-CB 3.48Å; K255-D259 PolarHBondContact O-N 3.33Å; D259-L261 VanDerWaalsContact C-N 3.35Å; D259-L261 PolarHBondContact O-N 2.8Å; D259-L262 PolarHBondContact O-N 3.33Å; D259-S263 WeakPolarHBondContact O-CB 3.28Å; D259-S263 PolarHBondContact O-N 3.11Å
260K92.7Very high92.1Very high48 Ų4842.9 Ų42.921%0.20922%0.216CC..Hα-helixtrans-59.4-46.3171.4-178.1168.3-178.61700111.1E113 Y116 K256 R257 L258 S263 F264 F319E113-K260 PolarHBondContact O-NZ 3.1Å; E113-K260 IonicContact OE2-NZ 2.62Å; E113-K260 PolarHBondContact OE2-NZ 3.17Å; Y116-K260 WeakPolarHBondContact OH-CD 3.32Å; K256-K260 PolarHBondContact O-N 2.81Å; K256-K260 VanDerWaalsContact O-N 3.07Å; R257-K260 PolarHBondContact O-N 3.37Å; L258-K260 VanDerWaalsContact C-N 3.34Å; L258-K260 PolarHBondContact O-N 3.5Å; K260-S263 WeakPolarHBondContact O-CB 3.49Å; K260-S263 PolarHBondContact O-N 2.82Å; K260-S263 PolarHBondContact O-OG 3.24Å; K260-F264 HydrophobicContact CG-CE2 4.43Å; K260-F264 VanDerWaalsContact O-CD2 3.28Å; K260-F264 WeakPolarHBondContact O-CD2 3.23Å; K260-F264 WeakPolarHBondContact O-CE2 3.08Å; K260-F319 HydrophobicContact CG-CZ 4.45Å
261L94.1Very high92.1Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-63.4-46.5179.6-175.9150.8000111.8F239 L251 F252 R257 L258 D259 S263 F264 L299 I315 F319F239-L261 HydrophobicContact CZ-CD1 4.24Å; L251-L261 HydrophobicContact CB-CD1 4.07Å; L251-L261 HydrophobicContact CD1-CD1 4.06Å; F252-L261 HydrophobicContact CD2-CD1 4.42Å; F252-L261 HydrophobicContact CE1-CD1 4.21Å; F252-L261 HydrophobicContact CE1-CD2 3.82Å; F252-L261 HydrophobicContact CE2-CD1 3.62Å; F252-L261 HydrophobicContact CZ-CD1 3.47Å; F252-L261 VanDerWaalsContact CZ-CD1 3.47Å; F252-L261 HydrophobicContact CZ-CD2 3.71Å; F252-L261 HydrophobicContact CZ-CG 4.27Å; R257-L261 PolarHBondContact O-N 2.91Å; L258-L261 CarbonylContact O-C 3.57Å; L258-L261 WeakPolarHBondContact O-CB 3.43Å; L258-L261 PolarHBondContact O-N 2.8Å; D259-L261 VanDerWaalsContact C-N 3.35Å; D259-L261 PolarHBondContact O-N 2.8Å; L261-S263 PolarHBondContact O-N 2.99Å; L261-F264 WeakPolarHBondContact O-CB 3.49Å; L261-F264 WeakPolarHBondContact O-CD2 3.37Å; L261-F264 PolarHBondContact O-N 3.37Å; L261-L299 HydrophobicContact CD2-CD2 3.93Å; L261-I315 HydrophobicContact CD1-CG2 4.29Å; L261-I315 HydrophobicContact CD2-CG2 4.47Å; L261-I315 HydrophobicContact CG-CG2 4.12Å; L261-F319 HydrophobicContact CB-CE2 4.17Å; L261-F319 HydrophobicContact CB-CZ 3.94Å; L261-F319 HydrophobicContact CD1-CE2 4.44Å; L261-F319 HydrophobicContact CD1-CZ 4.47Å; L261-F319 HydrophobicContact CG-CE2 4.18Å; L261-F319 HydrophobicContact CG-CZ 4.35Å
262L94.7Very high92.1Very high1 Ų149 Ų491%0.00525%0.248CC..Hα-helixtrans-70.8-17.9-179.9-61.6178.4000112.8L258 D259 F264 L265 R273 L276 L299L258-L262 HydrophobicContact CD1-CD1 3.8Å; L258-L262 HydrophobicContact CD1-CD2 4.28Å; L258-L262 HydrophobicContact CD1-CG 3.81Å; L258-L262 HydrophobicContact CD2-CD1 4.38Å; L258-L262 HydrophobicContact CG-CD1 3.81Å; L258-L262 HydrophobicContact CG-CG 4.17Å; L258-L262 WeakPolarHBondContact O-CG 3.27Å; L258-L262 PolarHBondContact O-N 3.18Å; D259-L262 PolarHBondContact O-N 3.33Å; L262-F264 PolarHBondContact O-N 3.18Å; L262-L265 HydrophobicContact CB-CD1 4.48Å; L262-L265 HydrophobicContact CD2-CD1 3.87Å; L262-L265 VanDerWaalsContact O-CB 3.3Å; L262-L265 WeakPolarHBondContact O-CB 3.37Å; L262-L265 WeakPolarHBondContact O-CG 3.49Å; L262-L265 PolarHBondContact O-N 3.34Å; L262-R273 HydrophobicContact CB-CG 3.95Å; L262-R273 WeakPolarHBondContact O-CD 3.33Å; L262-L276 HydrophobicContact CD1-CB 4.07Å; L262-L276 HydrophobicContact CD2-CB 4.4Å; L262-L276 HydrophobicContact CD2-CD1 4.16Å; L262-L299 HydrophobicContact CD2-CD2 4.45Å
263S92Very high92.1Very high72 Ų7252.6 Ų52.650%0.50326%0.262SS..THydrogen-bonded Turntrans-64.5-19172.381.20000113.6D259 K260 L261 L265D259-S263 WeakPolarHBondContact O-CB 3.28Å; D259-S263 PolarHBondContact O-N 3.11Å; K260-S263 WeakPolarHBondContact O-CB 3.49Å; K260-S263 PolarHBondContact O-N 2.82Å; K260-S263 PolarHBondContact O-OG 3.24Å; L261-S263 PolarHBondContact O-N 2.99Å; S263-L265 VanDerWaalsContact C-N 3.28Å
264F90.4Very high92.3Very high32 Ų3256.8 Ų56.814%0.1428%0.281CS..THydrogen-bonded Turntrans-79.4-8.8172.2-67.3-80.5000113.2K260 L261 L262 I315 N318 F319K260-F264 HydrophobicContact CG-CE2 4.43Å; K260-F264 VanDerWaalsContact O-CD2 3.28Å; K260-F264 WeakPolarHBondContact O-CD2 3.23Å; K260-F264 WeakPolarHBondContact O-CE2 3.08Å; L261-F264 WeakPolarHBondContact O-CB 3.49Å; L261-F264 WeakPolarHBondContact O-CD2 3.37Å; L261-F264 PolarHBondContact O-N 3.37Å; L262-F264 PolarHBondContact O-N 3.18Å; F264-I315 HydrophobicContact CB-CG1 3.87Å; F264-N318 HydrophobicContact CD1-CB 4.11Å; F264-N318 HydrophobicContact CE1-CB 3.51Å; F264-N318 WeakPolarHBondContact CE1-OD1 3.47Å; F264-N318 HydrophobicContact CE2-CB 4.39Å; F264-N318 HydrophobicContact CZ-CB 3.66Å; F264-F319 AromaticContact CD2-CE2 3.78Å; F264-F319 HydrophobicContact CD2-CE2 3.78Å; F264-F319 HydrophobicContact CE2-CD2 4.28Å; F264-F319 AromaticContact CE2-CE2 3.49Å; F264-F319 HydrophobicContact CE2-CE2 3.49Å; F264-F319 VanDerWaalsContact CE2-CE2 3.49Å; F264-F319 HydrophobicContact CE2-CZ 4.11Å; F264-F319 HydrophobicContact CZ-CE2 4.44Å
265L91.1Very high92.5Very high5 Ų560.9 Ų60.93%0.02629%0.294CS..SBendtrans-70.1131.1170.4-61.8-179.2000109L262 S263 L269 L272 R273 L303 V311 I315L262-L265 HydrophobicContact CB-CD1 4.48Å; L262-L265 HydrophobicContact CD2-CD1 3.87Å; L262-L265 VanDerWaalsContact O-CB 3.3Å; L262-L265 WeakPolarHBondContact O-CB 3.37Å; L262-L265 WeakPolarHBondContact O-CG 3.49Å; L262-L265 PolarHBondContact O-N 3.34Å; S263-L265 VanDerWaalsContact C-N 3.28Å; L265-L269 HydrophobicContact CB-CB 4.27Å; L265-L269 HydrophobicContact CD2-CD1 4.41Å; L265-L272 HydrophobicContact CD1-CD2 4.21Å; L265-L272 HydrophobicContact CD1-CG 4.44Å; L265-R273 HydrophobicContact CD1-CB 4.02Å; L265-L303 HydrophobicContact CD2-CD2 4.42Å; L265-V311 HydrophobicContact CD2-CG1 3.57Å; L265-I315 HydrophobicContact CD2-CD1 4.13Å
266P88.6Confident92.7Very high29 Ų2958.6 Ų58.619%0.18828%0.284CS..  trans-67.8162.9-178.831-37000111.2E268 L269 V311P266-E268 WeakPolarHBondContact CB-OE1 3.46Å; P266-E268 WeakPolarHBondContact CB-OE2 3.45Å; P266-E268 WeakPolarHBondContact CG-OE1 3.48Å; P266-E268 PolarHBondContact O-N 3.28Å; P266-E268 VanDerWaalsContact O-N 3.17Å; P266-L269 HydrophobicContact CG-CD1 4.22Å; P266-L269 HydrophobicContact CG-CG 4.26Å; P266-L269 PolarHBondContact O-N 3.14Å; P266-V311 HydrophobicContact CG-CG2 3.89Å
267V89.4Confident92.7Very high121 Ų12151.9 Ų51.973%0.73326%0.257SS*.G310 helixtrans-58.8-35-166.4177.80000112.3L269 K270V267-L269 PolarHBondContact O-N 3.44Å; V267-K270 WeakPolarHBondContact O-CB 3.49Å; V267-K270 PolarHBondContact O-N 2.9Å; V267-K270 VanDerWaalsContact O-N 3.1Å
268E89.5Confident92.7Very high91 Ų9154.8 Ų54.843%0.42528%0.276SS..G310 helixtrans-67.7-15.4177.270.8-82-169.200114Y212 P266 R308Y212-E268 WeakPolarHBondContact CE1-OE1 3.27Å; Y212-E268 PolarHBondContact OH-OE1 2.85Å; Y212-E268 VanDerWaalsContact OH-OE1 3.13Å; P266-E268 WeakPolarHBondContact CB-OE1 3.46Å; P266-E268 WeakPolarHBondContact CB-OE2 3.45Å; P266-E268 WeakPolarHBondContact CG-OE1 3.48Å; P266-E268 PolarHBondContact O-N 3.28Å; P266-E268 VanDerWaalsContact O-N 3.17Å; E268-R308 IonicContact OE1-CZ 2.78Å; E268-R308 VanDerWaalsContact OE1-CZ 3.25Å; E268-R308 IonicContact OE1-NH1 3.79Å; E268-R308 PolarHBondContact OE1-NH1 3.21Å; E268-R308 IonicContact OE1-NH2 2.9Å; E268-R308 PolarHBondContact OE1-NH2 2.82Å
269L91.6Very high92.6Very high26 Ų2660.1 Ų60.114%0.13630%0.301CS..G310 helixtrans-98.222.3172.4-61.6-174.1000112.2L265 P266 V267 D271 L272 R273 L303L265-L269 HydrophobicContact CB-CB 4.27Å; L265-L269 HydrophobicContact CD2-CD1 4.41Å; P266-L269 HydrophobicContact CG-CD1 4.22Å; P266-L269 HydrophobicContact CG-CG 4.26Å; P266-L269 PolarHBondContact O-N 3.14Å; V267-L269 PolarHBondContact O-N 3.44Å; L269-D271 PolarHBondContact O-N 2.88Å; L269-L272 HydrophobicContact CB-CB 4.44Å; L269-L272 HydrophobicContact CB-CD2 4.4Å; L269-L272 HydrophobicContact CD1-CD2 4.29Å; L269-L272 WeakPolarHBondContact O-CB 3.4Å; L269-L272 PolarHBondContact O-N 3.39Å; L269-R273 PolarHBondContact O-N 3.41Å; L269-L303 HydrophobicContact CD1-CD2 4.02Å
270K92.7Very high92.7Very high96 Ų9657.7 Ų57.742%0.41729%0.287SS..Hα-helixtrans-54.8-47.8178.7174.3178.7175.8-1660112.9V267 L272 R273 E274V267-K270 WeakPolarHBondContact O-CB 3.49Å; V267-K270 PolarHBondContact O-N 2.9Å; V267-K270 VanDerWaalsContact O-N 3.1Å; K270-L272 VanDerWaalsContact C-N 3.29Å; K270-L272 PolarHBondContact O-N 3.22Å; K270-R273 WeakPolarHBondContact O-CB 3.17Å; K270-R273 PolarHBondContact O-N 3.19Å; K270-R273 VanDerWaalsContact O-N 3.11Å; K270-E274 WeakPolarHBondContact CE-OE1 3.38Å; K270-E274 IonicContact NZ-OE1 2.9Å; K270-E274 PolarHBondContact O-N 3.1Å
271D93.9Very high92.3Very high128 Ų12858.1 Ų58.168%0.68430%0.296SS*.Hα-helixtrans-64.3-37.7-177.5-61.6-15.5000111.5L269 R275L269-D271 PolarHBondContact O-N 2.88Å; D271-R275 VanDerWaalsContact O-CB 3.3Å; D271-R275 WeakPolarHBondContact O-CB 3.46Å; D271-R275 PolarHBondContact O-N 3.46Å
272L94Very high91.7Very high13 Ų1362.8 Ų62.87%0.06833%0.325CS..Hα-helixtrans-62.2-48.2172.2174.569.2000110.8L265 L269 K270 E274 R275 L276 F302L265-L272 HydrophobicContact CD1-CD2 4.21Å; L265-L272 HydrophobicContact CD1-CG 4.44Å; L269-L272 HydrophobicContact CB-CB 4.44Å; L269-L272 HydrophobicContact CB-CD2 4.4Å; L269-L272 HydrophobicContact CD1-CD2 4.29Å; L269-L272 WeakPolarHBondContact O-CB 3.4Å; L269-L272 PolarHBondContact O-N 3.39Å; K270-L272 VanDerWaalsContact C-N 3.29Å; K270-L272 PolarHBondContact O-N 3.22Å; L272-E274 PolarHBondContact O-N 3.37Å; L272-R275 PolarHBondContact O-N 3.21Å; L272-L276 HydrophobicContact CD1-CD1 3.77Å; L272-L276 HydrophobicContact CD1-CD2 4.42Å; L272-L276 HydrophobicContact CD1-CG 3.89Å; L272-L276 HydrophobicContact CG-CD1 3.9Å; L272-L276 HydrophobicContact CG-CG 4.29Å; L272-L276 WeakPolarHBondContact O-CB 3.16Å; L272-L276 VanDerWaalsContact O-CG 3.24Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; L272-L276 PolarHBondContact O-N 3.43Å; L272-F302 HydrophobicContact CD1-CD1 4.23Å; L272-F302 HydrophobicContact CD1-CE1 4.01Å; L272-F302 HydrophobicContact CD1-CE2 4.33Å; L272-F302 HydrophobicContact CD1-CZ 4.04Å; L272-F302 HydrophobicContact CD2-CD1 3.68Å; L272-F302 HydrophobicContact CD2-CE1 3.3Å; L272-F302 HydrophobicContact CD2-CZ 4.03Å; L272-F302 HydrophobicContact CG-CE1 4.23Å
273R94.3Very high90.9Very high77 Ų7766.2 Ų66.229%0.29134%0.343SS..Hα-helixtrans-57-48.2178.7167.8177.970.8-170.22.7111.7L262 L265 L269 K270 L276 S277L262-R273 HydrophobicContact CB-CG 3.95Å; L262-R273 WeakPolarHBondContact O-CD 3.33Å; L265-R273 HydrophobicContact CD1-CB 4.02Å; L269-R273 PolarHBondContact O-N 3.41Å; K270-R273 WeakPolarHBondContact O-CB 3.17Å; K270-R273 PolarHBondContact O-N 3.19Å; K270-R273 VanDerWaalsContact O-N 3.11Å; R273-L276 PolarHBondContact O-N 3.08Å; R273-S277 VanDerWaalsContact O-CB 3.26Å; R273-S277 WeakPolarHBondContact O-CB 3.47Å; R273-S277 PolarHBondContact O-N 2.62Å
274E94.8Very high89.9Confident89 Ų8964.2 Ų64.242%0.41633%0.327SS..Hα-helixtrans-64.2-48.9-179.5-72176.3-179.200110.7K270 L272 L276 S277 D278K270-E274 WeakPolarHBondContact CE-OE1 3.38Å; K270-E274 IonicContact NZ-OE1 2.9Å; K270-E274 PolarHBondContact O-N 3.1Å; L272-E274 PolarHBondContact O-N 3.37Å; E274-L276 PolarHBondContact O-N 2.84Å; E274-S277 WeakPolarHBondContact O-CB 3.43Å; E274-S277 PolarHBondContact O-N 2.82Å; E274-D278 PolarHBondContact O-N 2.8Å
275R95.1Very high88.7Confident124 Ų12470.6 Ų70.647%0.46836%0.358SS..Hα-helixtrans-56.8-46.9176.3-177.217357.475.8-4.8112.7D271 L272 D278 E279D271-R275 VanDerWaalsContact O-CB 3.3Å; D271-R275 WeakPolarHBondContact O-CB 3.46Å; D271-R275 PolarHBondContact O-N 3.46Å; L272-R275 PolarHBondContact O-N 3.21Å; R275-D278 PolarHBondContact O-N 3.08Å; R275-E279 IonicContact NH1-OE2 2.6Å; R275-E279 WeakPolarHBondContact O-CB 3.32Å; R275-E279 PolarHBondContact O-N 3.2Å
276L95Very high87.2Confident7 Ų774.3 Ų74.34%0.03738%0.378CS..Hα-helixtrans-68.5-38.2179.4-67.7-177.9000112.4L262 L272 R273 E274 D278 W280 L299L262-L276 HydrophobicContact CD1-CB 4.07Å; L262-L276 HydrophobicContact CD2-CB 4.4Å; L262-L276 HydrophobicContact CD2-CD1 4.16Å; L272-L276 HydrophobicContact CD1-CD1 3.77Å; L272-L276 HydrophobicContact CD1-CD2 4.42Å; L272-L276 HydrophobicContact CD1-CG 3.89Å; L272-L276 HydrophobicContact CG-CD1 3.9Å; L272-L276 HydrophobicContact CG-CG 4.29Å; L272-L276 WeakPolarHBondContact O-CB 3.16Å; L272-L276 VanDerWaalsContact O-CG 3.24Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; L272-L276 PolarHBondContact O-N 3.43Å; R273-L276 PolarHBondContact O-N 3.08Å; E274-L276 PolarHBondContact O-N 2.84Å; L276-D278 VanDerWaalsContact C-N 3.27Å; L276-D278 PolarHBondContact O-N 2.93Å; L276-W280 HydrophobicContact CB-CE3 4.15Å; L276-W280 HydrophobicContact CB-CZ3 4.22Å; L276-W280 HydrophobicContact CD1-CH2 4.08Å; L276-W280 HydrophobicContact CD1-CZ3 4Å; L276-W280 HydrophobicContact CD2-CD2 4.38Å; L276-W280 HydrophobicContact CD2-CE3 4.38Å; L276-W280 HydrophobicContact CD2-CH2 3.67Å; L276-W280 HydrophobicContact CD2-CZ2 3.63Å; L276-W280 HydrophobicContact CD2-CZ3 4.04Å; L276-W280 HydrophobicContact CG-CH2 4.36Å; L276-W280 HydrophobicContact CG-CZ3 4.31Å; L276-W280 VanDerWaalsContact O-CB 3.24Å; L276-W280 WeakPolarHBondContact O-CB 3.41Å; L276-W280 PolarHBondContact O-N 3.44Å; L276-L299 HydrophobicContact CD1-CD1 3.82Å
277S93.3Very high86.1Confident17 Ų1777.7 Ų77.712%0.11939%0.394CS..Hα-helixtrans-57.7-42.5173.9156.40000111.3K255 R273 E274 S281K255-S277 PolarHBondContact NZ-OG 2.76Å; R273-S277 VanDerWaalsContact O-CB 3.26Å; R273-S277 WeakPolarHBondContact O-CB 3.47Å; R273-S277 PolarHBondContact O-N 2.62Å; E274-S277 WeakPolarHBondContact O-CB 3.43Å; E274-S277 PolarHBondContact O-N 2.82Å; S277-S281 WeakPolarHBondContact O-CA 3.38Å; S277-S281 WeakPolarHBondContact O-CB 3.33Å; S277-S281 PolarHBondContact O-N 2.93Å
278D92.6Very high84.8Confident110 Ų11080.7 Ų80.759%0.58840%0.397SS*.Hα-helixtrans-77.3-46.4-177.3-67-10000111.5E274 R275 L276 W280 S281E274-D278 PolarHBondContact O-N 2.8Å; R275-D278 PolarHBondContact O-N 3.08Å; L276-D278 VanDerWaalsContact C-N 3.27Å; L276-D278 PolarHBondContact O-N 2.93Å; D278-W280 VanDerWaalsContact C-N 3.27Å; D278-W280 PolarHBondContact O-N 2.7Å; D278-S281 VanDerWaalsContact O-CB 3.22Å; D278-S281 WeakPolarHBondContact O-CB 3.02Å; D278-S281 PolarHBondContact O-N 3.18Å; D278-S281 PolarHBondContact O-OG 2.85Å
279E92.8Very high84.1Confident112 Ų11281.5 Ų81.552%0.52340%0.401SS..Hα-helixtrans-60.4-37.7177.8-169.9-168.8136.200111.6R275R275-E279 IonicContact NH1-OE2 2.6Å; R275-E279 WeakPolarHBondContact O-CB 3.32Å; R275-E279 PolarHBondContact O-N 3.2Å
280W93.5Very high83.9Confident13 Ų1383 Ų835%0.04941%0.408CS..THydrogen-bonded Turntrans-104.423-177.5-57.8-15.4000113F252 L258 L276 D278 V282 R295 T298 L299F252-W280 AromaticContact CD1-CE3 3.92Å; F252-W280 HydrophobicContact CD1-CE3 3.92Å; F252-W280 AromaticContact CD1-CZ3 3.7Å; F252-W280 HydrophobicContact CD1-CZ3 3.7Å; F252-W280 AromaticContact CE1-CZ3 3.88Å; F252-W280 HydrophobicContact CE1-CZ3 3.88Å; L258-W280 HydrophobicContact CD1-CE3 3.95Å; L258-W280 HydrophobicContact CD2-CB 3.71Å; L276-W280 HydrophobicContact CB-CE3 4.15Å; L276-W280 HydrophobicContact CB-CZ3 4.22Å; L276-W280 HydrophobicContact CD1-CH2 4.08Å; L276-W280 HydrophobicContact CD1-CZ3 4Å; L276-W280 HydrophobicContact CD2-CD2 4.38Å; L276-W280 HydrophobicContact CD2-CE3 4.38Å; L276-W280 HydrophobicContact CD2-CH2 3.67Å; L276-W280 HydrophobicContact CD2-CZ2 3.63Å; L276-W280 HydrophobicContact CD2-CZ3 4.04Å; L276-W280 HydrophobicContact CG-CH2 4.36Å; L276-W280 HydrophobicContact CG-CZ3 4.31Å; L276-W280 VanDerWaalsContact O-CB 3.24Å; L276-W280 WeakPolarHBondContact O-CB 3.41Å; L276-W280 PolarHBondContact O-N 3.44Å; D278-W280 VanDerWaalsContact C-N 3.27Å; D278-W280 PolarHBondContact O-N 2.7Å; W280-V282 VanDerWaalsContact C-N 3.28Å; W280-V282 PolarHBondContact O-N 2.87Å; W280-R295 VanDerWaalsContact CB-CZ 3.49Å; W280-R295 HydrophobicContact CD2-CB 4.09Å; W280-R295 HydrophobicContact CD2-CG 3.73Å; W280-R295 HydrophobicContact CE3-CB 4.03Å; W280-R295 HydrophobicContact CE3-CG 4.16Å; W280-R295 HydrophobicContact CG-CG 4.01Å; W280-R295 VanDerWaalsContact CG-NE 3.35Å; W280-R295 HydrophobicContact CH2-CB 4.02Å; W280-R295 WeakPolarHBondContact CH2-O 3.33Å; W280-R295 HydrophobicContact CZ2-CB 4.1Å; W280-R295 HydrophobicContact CZ2-CG 4.17Å; W280-R295 HydrophobicContact CZ3-CB 4Å; W280-R295 PolarHBondContact O-NH1 3.17Å; W280-T298 HydrophobicContact CZ2-CG2 4.08Å; W280-L299 HydrophobicContact CH2-CB 4.16Å
281S84.4Confident83.8Confident57 Ų5779.1 Ų79.140%0.39939%0.392SS..  trans-66.3-24.1-176.255.90000114.8S277 D278 D283S277-S281 WeakPolarHBondContact O-CA 3.38Å; S277-S281 WeakPolarHBondContact O-CB 3.33Å; S277-S281 PolarHBondContact O-N 2.93Å; D278-S281 VanDerWaalsContact O-CB 3.22Å; D278-S281 WeakPolarHBondContact O-CB 3.02Å; D278-S281 PolarHBondContact O-N 3.18Å; D278-S281 PolarHBondContact O-OG 2.85Å; S281-D283 PolarHBondContact O-N 3.05Å
282V81.4Confident83.8Confident99 Ų9973 Ų7360%0.636%0.359SS*.SBendtrans-74.4118.2-179.4-1780000110.3W280 V284W280-V282 VanDerWaalsContact C-N 3.28Å; W280-V282 PolarHBondContact O-N 2.87Å; V282-V284 PolarHBondContact O-N 3.5Å
283D77.9Confident83.7Confident72 Ų7273.8 Ų73.839%0.38536%0.364SS..  trans-65.8125.5171.1-8815.3000109.9G253 N254 K255 S281G253-D283 WeakPolarHBondContact O-CA 3.17Å; N254-D283 VanDerWaalsContact CA-OD1 3.31Å; N254-D283 WeakPolarHBondContact CA-OD1 3.4Å; N254-D283 PolarHBondContact ND2-OD2 3.09Å; K255-D283 PolarHBondContact N-OD1 3.29Å; S281-D283 PolarHBondContact O-N 3.05Å
284V71.5Confident83.7Confident30 Ų3076.1 Ų76.118%0.18238%0.377CS..  trans-113.1106.6175.9-175.10000108.2N250 G253 V282 D286 V291N250-V284 PolarHBondContact ND2-O 3.17Å; G253-V284 PolarHBondContact O-N 2.82Å; V282-V284 PolarHBondContact O-N 3.5Å; V284-D286 HydrophobicContact CG1-CB 4.33Å; V284-V291 HydrophobicContact CB-CB 4.45Å; V284-V291 HydrophobicContact CB-CG2 4.15Å; V284-V291 HydrophobicContact CG1-CG2 3.85Å; V284-V291 HydrophobicContact CG2-CG1 4.22Å; V284-V291 HydrophobicContact CG2-CG2 4.13Å
285Q64.8Low83.7Confident167 Ų16773.4 Ų73.478%0.7836%0.362SS*.  trans-91.2-9.5174.3-63.6-169.9-0.800112.8N287Q285-N287 PolarHBondContact O-N 3.3Å; Q285-N287 VanDerWaalsContact O-N 3.15Å
286D60.9Low83.7Confident82 Ų8267.5 Ų67.544%0.43934%0.34SS..  trans-72.1110.2178.9-166.6-7.8000110.3V284 K288 E289V284-D286 HydrophobicContact CG1-CB 4.33Å; D286-K288 PolarHBondContact O-N 3.48Å; D286-K288 VanDerWaalsContact OD1-CB 3.27Å; D286-K288 WeakPolarHBondContact OD1-CB 3.37Å; D286-K288 VanDerWaalsContact OD1-CG 3.29Å; D286-K288 WeakPolarHBondContact OD1-CG 3.46Å; D286-K288 PolarHBondContact OD1-N 2.92Å; D286-E289 PolarHBondContact O-N 2.89Å
287N65.1Low83.7Confident100 Ų10070.7 Ų70.754%0.53536%0.357SS..THydrogen-bonded Turntrans-68.3-6.2176.9-67.6-29.4000113.2Q285Q285-N287 PolarHBondContact O-N 3.3Å; Q285-N287 VanDerWaalsContact O-N 3.15Å
288K62.3Low83.8Confident184 Ų18473.7 Ų73.780%0.838%0.375SS*.THydrogen-bonded Turntrans-77.7-27.5178.1-66.2177.2-179.8178.40112.9D286D286-K288 PolarHBondContact O-N 3.48Å; D286-K288 VanDerWaalsContact OD1-CB 3.27Å; D286-K288 WeakPolarHBondContact OD1-CB 3.37Å; D286-K288 VanDerWaalsContact OD1-CG 3.29Å; D286-K288 WeakPolarHBondContact OD1-CG 3.46Å; D286-K288 PolarHBondContact OD1-N 2.92Å
289E74.7Confident84Confident108 Ų10868.5 Ų68.551%0.50535%0.347SS..SBendtrans-103.8123.1179.2-67.8-161.117700111.6D286 V291D286-E289 PolarHBondContact O-N 2.89Å; E289-V291 HydrophobicContact CB-CG2 3.86Å; E289-V291 PolarHBondContact O-N 3.27Å
290E87Confident84.1Confident59 Ų5965.7 Ų65.728%0.27633%0.332SS..  trans-76.258.2173.9-75.6-61.9161.200112.1S244 T245 A246 S292 T293 K294S244-E290 WeakPolarHBondContact CB-OE2 3.49Å; T245-E290 PolarHBondContact N-OE2 3.41Å; A246-E290 WeakPolarHBondContact CB-OE1 3.49Å; A246-E290 PolarHBondContact N-OE1 3.34Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 3.37Å; E290-T293 PolarHBondContact O-N 2.89Å; E290-T293 PolarHBondContact OE2-OG1 3.32Å; E290-K294 WeakPolarHBondContact O-CG 3.44Å; E290-K294 PolarHBondContact O-N 3.44Å; E290-K294 VanDerWaalsContact O-N 3.07Å
291V91Very high84.2Confident14 Ų1471.1 Ų71.19%0.08536%0.356CS..Hα-helixtrans-60.1-42.3179.2174.20000110.7V284 E289 T293 K294 R295V284-V291 HydrophobicContact CB-CB 4.45Å; V284-V291 HydrophobicContact CB-CG2 4.15Å; V284-V291 HydrophobicContact CG1-CG2 3.85Å; V284-V291 HydrophobicContact CG2-CG1 4.22Å; V284-V291 HydrophobicContact CG2-CG2 4.13Å; E289-V291 HydrophobicContact CB-CG2 3.86Å; E289-V291 PolarHBondContact O-N 3.27Å; V291-T293 PolarHBondContact O-N 2.93Å; V291-K294 PolarHBondContact O-N 3.34Å; V291-R295 HydrophobicContact CG1-CG 4.28Å; V291-R295 WeakPolarHBondContact O-CG 3.45Å; V291-R295 PolarHBondContact O-N 3.43Å
292S93.4Very high84.7Confident0 Ų071.4 Ų71.40%035%0.35CS..Hα-helixtrans-65.2-40.4-178.8-76.40000113C243 T245 N250 L251 F252 G253 E290 W296C243-S292 WeakPolarHBondContact O-CB 3.23Å; T245-S292 PolarHBondContact OG1-N 3.33Å; N250-S292 VanDerWaalsContact C-OG 3.25Å; N250-S292 WeakPolarHBondContact CA-OG 3.2Å; N250-S292 PolarHBondContact OD1-OG 2.71Å; L251-S292 PolarHBondContact N-OG 3.19Å; F252-S292 PolarHBondContact N-OG 3.32Å; G253-S292 PolarHBondContact N-OG 3.44Å; G253-S292 VanDerWaalsContact N-OG 3.08Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 3.37Å; S292-W296 VanDerWaalsContact O-CB 3.23Å; S292-W296 WeakPolarHBondContact O-CB 3.49Å; S292-W296 PolarHBondContact O-N 3.21Å
293T92.8Very high85.3Confident28 Ų2866.7 Ų66.717%0.17232%0.321CS..Hα-helixtrans-67-40176.1-59.20000111.9T240 E290 V291 W296 N297T240-T293 HydrophobicContact CG2-CG2 3.95Å; E290-T293 PolarHBondContact O-N 2.89Å; E290-T293 PolarHBondContact OE2-OG1 3.32Å; V291-T293 PolarHBondContact O-N 2.93Å; T293-W296 PolarHBondContact O-N 3.39Å; T293-N297 WeakPolarHBondContact O-CB 3.4Å; T293-N297 VanDerWaalsContact O-CG 3.25Å; T293-N297 PolarHBondContact O-N 2.99Å; T293-N297 PolarHBondContact O-ND2 3.47Å
294K93.1Very high85.9Confident127 Ų12768.5 Ų68.555%0.55233%0.326SS*.Hα-helixtrans-60.7-52.1175-71.7175-176174.70111.5E290 V291 W296 N297 T298E290-K294 WeakPolarHBondContact O-CG 3.44Å; E290-K294 PolarHBondContact O-N 3.44Å; E290-K294 VanDerWaalsContact O-N 3.07Å; V291-K294 PolarHBondContact O-N 3.34Å; K294-W296 VanDerWaalsContact C-N 3.34Å; K294-W296 PolarHBondContact O-N 2.85Å; K294-N297 PolarHBondContact O-N 2.86Å; K294-T298 PolarHBondContact O-N 2.84Å; K294-T298 PolarHBondContact O-OG1 3.28Å
295R94.8Very high86.9Confident31 Ų3173.5 Ų73.512%0.11735%0.347CS..Hα-helixtrans-61.6-40.9179-70177.8175.6168.9-0.6111.7F252 W280 V291 N297 T298 L299F252-R295 HydrophobicContact CB-CB 3.72Å; F252-R295 HydrophobicContact CB-CG 4.34Å; F252-R295 HydrophobicContact CD1-CB 3.73Å; F252-R295 HydrophobicContact CG-CB 3.81Å; F252-R295 PolarHBondContact O-NH1 3.07Å; W280-R295 VanDerWaalsContact CB-CZ 3.49Å; W280-R295 HydrophobicContact CD2-CB 4.09Å; W280-R295 HydrophobicContact CD2-CG 3.73Å; W280-R295 HydrophobicContact CE3-CB 4.03Å; W280-R295 HydrophobicContact CE3-CG 4.16Å; W280-R295 HydrophobicContact CG-CG 4.01Å; W280-R295 VanDerWaalsContact CG-NE 3.35Å; W280-R295 HydrophobicContact CH2-CB 4.02Å; W280-R295 WeakPolarHBondContact CH2-O 3.33Å; W280-R295 HydrophobicContact CZ2-CB 4.1Å; W280-R295 HydrophobicContact CZ2-CG 4.17Å; W280-R295 HydrophobicContact CZ3-CB 4Å; W280-R295 PolarHBondContact O-NH1 3.17Å; V291-R295 HydrophobicContact CG1-CG 4.28Å; V291-R295 WeakPolarHBondContact O-CG 3.45Å; V291-R295 PolarHBondContact O-N 3.43Å; R295-N297 PolarHBondContact O-N 2.96Å; R295-T298 PolarHBondContact O-N 3.12Å; R295-L299 PolarHBondContact O-N 3.35Å
296W95.5Very high88.2Confident0 Ų069.4 Ų69.40%033%0.331CS..Hα-helixtrans-58.2-47.8172.6170.8-123.9000112.4M236 F239 T240 F252 S292 T293 K294 T298 L299 R300 L312 I315 V316M236-W296 HydrophobicContact SD-CZ2 4.22Å; F239-W296 AromaticContact CD1-CD2 3.85Å; F239-W296 HydrophobicContact CD1-CD2 3.85Å; F239-W296 AromaticContact CD1-CE2 3.37Å; F239-W296 HydrophobicContact CD1-CE3 4.24Å; F239-W296 HydrophobicContact CD1-CG 4.49Å; F239-W296 AromaticContact CD1-CH2 3.65Å; F239-W296 HydrophobicContact CD1-CH2 3.65Å; F239-W296 AromaticContact CD1-CZ2 3.28Å; F239-W296 HydrophobicContact CD1-CZ2 3.28Å; F239-W296 HydrophobicContact CD1-CZ3 4.14Å; F239-W296 AromaticContact CD1-NE1 3.81Å; F239-W296 AromaticContact CE1-CD2 3.62Å; F239-W296 HydrophobicContact CE1-CD2 3.62Å; F239-W296 AromaticContact CE1-CE2 3.64Å; F239-W296 AromaticContact CE1-CE3 3.62Å; F239-W296 HydrophobicContact CE1-CE3 3.62Å; F239-W296 HydrophobicContact CE1-CG 4.33Å; F239-W296 AromaticContact CE1-CH2 3.55Å; F239-W296 HydrophobicContact CE1-CH2 3.55Å; F239-W296 AromaticContact CE1-CZ2 3.63Å; F239-W296 HydrophobicContact CE1-CZ2 3.63Å; F239-W296 AromaticContact CE1-CZ3 3.58Å; F239-W296 HydrophobicContact CE1-CZ3 3.58Å; F239-W296 HydrophobicContact CG-CZ2 4.2Å; F239-W296 HydrophobicContact CZ-CH2 4.4Å; F239-W296 HydrophobicContact CZ-CZ3 4.34Å; T240-W296 PolarHBondContact OG1-NE1 3.42Å; F252-W296 HydrophobicContact CD2-CB 4.26Å; F252-W296 HydrophobicContact CE2-CB 3.72Å; F252-W296 HydrophobicContact CE2-CE3 4.12Å; F252-W296 HydrophobicContact CE2-CG 4.44Å; F252-W296 HydrophobicContact CZ-CB 4.11Å; F252-W296 AromaticContact CZ-CE3 3.75Å; F252-W296 HydrophobicContact CZ-CE3 3.75Å; S292-W296 VanDerWaalsContact O-CB 3.23Å; S292-W296 WeakPolarHBondContact O-CB 3.49Å; S292-W296 PolarHBondContact O-N 3.21Å; T293-W296 PolarHBondContact O-N 3.39Å; K294-W296 VanDerWaalsContact C-N 3.34Å; K294-W296 PolarHBondContact O-N 2.85Å; W296-T298 VanDerWaalsContact C-N 3.31Å; W296-T298 PolarHBondContact O-N 3.49Å; W296-L299 PolarHBondContact O-N 3.3Å; W296-R300 HydrophobicContact CD2-CB 4.44Å; W296-R300 WeakPolarHBondContact O-CB 3.39Å; W296-R300 PolarHBondContact O-N 3.03Å; W296-L312 HydrophobicContact CH2-CD1 3.2Å; W296-L312 HydrophobicContact CH2-CG 4.17Å; W296-L312 HydrophobicContact CZ2-CD1 3.85Å; W296-L312 HydrophobicContact CZ3-CD1 3.71Å; W296-I315 HydrophobicContact CZ3-CG2 4.4Å; W296-V316 HydrophobicContact CH2-CG2 3.9Å; W296-V316 HydrophobicContact CZ2-CG2 4.11Å
297N95.2Very high89.5Confident74 Ų7467.3 Ų67.340%0.39633%0.329SS..Hα-helixtrans-62.6-38.3179.2-73.6-28.4000112.1T293 K294 R295 K301T293-N297 WeakPolarHBondContact O-CB 3.4Å; T293-N297 VanDerWaalsContact O-CG 3.25Å; T293-N297 PolarHBondContact O-N 2.99Å; T293-N297 PolarHBondContact O-ND2 3.47Å; K294-N297 PolarHBondContact O-N 2.86Å; R295-N297 PolarHBondContact O-N 2.96Å; N297-K301 VanDerWaalsContact O-CB 3.3Å; N297-K301 WeakPolarHBondContact O-CB 3.44Å; N297-K301 PolarHBondContact O-N 2.89Å
298T95.5Very high90.6Very high80 Ų8063.9 Ų63.949%0.49131%0.308SS..Hα-helixtrans-62.3-51.4173.9-58.30000111.7W280 K294 R295 W296 R300 K301 F302W280-T298 HydrophobicContact CZ2-CG2 4.08Å; K294-T298 PolarHBondContact O-N 2.84Å; K294-T298 PolarHBondContact O-OG1 3.28Å; R295-T298 PolarHBondContact O-N 3.12Å; W296-T298 VanDerWaalsContact C-N 3.31Å; W296-T298 PolarHBondContact O-N 3.49Å; T298-R300 VanDerWaalsContact C-N 3.35Å; T298-R300 PolarHBondContact O-N 2.76Å; T298-K301 PolarHBondContact O-N 2.81Å; T298-F302 PolarHBondContact O-N 3.44Å
299L96Very high91.9Very high1 Ų156.3 Ų56.31%0.00528%0.28CS..Hα-helixtrans-61.4-44.3177.917859.9000111.4F252 L261 L262 L276 W280 R295 W296 K301 F302 L303 I315F252-L299 HydrophobicContact CE1-CD2 3.93Å; F252-L299 HydrophobicContact CZ-CD2 4.13Å; L261-L299 HydrophobicContact CD2-CD2 3.93Å; L262-L299 HydrophobicContact CD2-CD2 4.45Å; L276-L299 HydrophobicContact CD1-CD1 3.82Å; W280-L299 HydrophobicContact CH2-CB 4.16Å; R295-L299 PolarHBondContact O-N 3.35Å; W296-L299 PolarHBondContact O-N 3.3Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 2.74Å; L299-F302 PolarHBondContact O-N 3.24Å; L299-L303 HydrophobicContact CD1-CD1 3.95Å; L299-L303 HydrophobicContact CD1-CG 3.98Å; L299-L303 HydrophobicContact CG-CD1 3.96Å; L299-L303 HydrophobicContact CG-CG 4.38Å; L299-L303 WeakPolarHBondContact O-CG 3.3Å; L299-L303 PolarHBondContact O-N 2.87Å; L299-I315 HydrophobicContact CD2-CD1 4.46Å
300R95.8Very high92.5Very high53 Ų5351.3 Ų51.320%0.226%0.257CS..Hα-helixtrans-59.6-44.1178.3179.9178.5-174-149.60.9111.9W296 T298 K304 L312W296-R300 HydrophobicContact CD2-CB 4.44Å; W296-R300 WeakPolarHBondContact O-CB 3.39Å; W296-R300 PolarHBondContact O-N 3.03Å; T298-R300 VanDerWaalsContact C-N 3.35Å; T298-R300 PolarHBondContact O-N 2.76Å; R300-K304 HydrophobicContact CG-CD 4.46Å; R300-K304 WeakPolarHBondContact O-CB 3.42Å; R300-K304 WeakPolarHBondContact O-CG 3.31Å; R300-K304 PolarHBondContact O-N 2.8Å; R300-K304 VanDerWaalsContact O-N 3.12Å; R300-L312 HydrophobicContact CB-CD1 4.03Å; R300-L312 HydrophobicContact CG-CD1 3.92Å; R300-L312 HydrophobicContact CG-CD2 3.95Å
301K95.4Very high92.7Very high127 Ų12748.6 Ų48.655%0.55224%0.244SC*.Hα-helixtrans-62.6-50.3176.9-178.2178.6175.3-177.30110.7N297 T298 L299 L303 K304 E305N297-K301 VanDerWaalsContact O-CB 3.3Å; N297-K301 WeakPolarHBondContact O-CB 3.44Å; N297-K301 PolarHBondContact O-N 2.89Å; T298-K301 PolarHBondContact O-N 2.81Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 2.74Å; K301-L303 PolarHBondContact O-N 3.29Å; K301-K304 PolarHBondContact O-N 2.85Å; K301-E305 VanDerWaalsContact CE-CD 3.49Å; K301-E305 WeakPolarHBondContact CE-OE1 3.19Å; K301-E305 HydrophobicContact CG-CG 4.35Å; K301-E305 IonicContact NZ-OE1 3.8Å; K301-E305 WeakPolarHBondContact O-CG 3.31Å; K301-E305 PolarHBondContact O-N 3.34Å
302F94.6Very high92.8Very high64 Ų6448 Ų4828%0.28124%0.241SC..Hα-helixtrans-55.7-51.3178177.8-85.3000111.9L272 T298 L299 K304 E305 N306L272-F302 HydrophobicContact CD1-CD1 4.23Å; L272-F302 HydrophobicContact CD1-CE1 4.01Å; L272-F302 HydrophobicContact CD1-CE2 4.33Å; L272-F302 HydrophobicContact CD1-CZ 4.04Å; L272-F302 HydrophobicContact CD2-CD1 3.68Å; L272-F302 HydrophobicContact CD2-CE1 3.3Å; L272-F302 HydrophobicContact CD2-CZ 4.03Å; L272-F302 HydrophobicContact CG-CE1 4.23Å; T298-F302 PolarHBondContact O-N 3.44Å; L299-F302 PolarHBondContact O-N 3.24Å; F302-K304 VanDerWaalsContact C-N 3.32Å; F302-K304 PolarHBondContact O-N 3.07Å; F302-E305 PolarHBondContact O-N 3.43Å; F302-N306 WeakPolarHBondContact O-CB 3.43Å; F302-N306 PolarHBondContact O-N 2.96Å; F302-N306 VanDerWaalsContact O-N 3.09Å; F302-N306 PolarHBondContact O-ND2 3.36Å
303L93.6Very high92.8Very high0 Ų050 Ų500%025%0.25CC..Hα-helixtrans-62.4-39.1-178.4-69.4175.1000111.9L265 L269 L299 K301 G307 R308 V311 L312 I315L265-L303 HydrophobicContact CD2-CD2 4.42Å; L269-L303 HydrophobicContact CD1-CD2 4.02Å; L299-L303 HydrophobicContact CD1-CD1 3.95Å; L299-L303 HydrophobicContact CD1-CG 3.98Å; L299-L303 HydrophobicContact CG-CD1 3.96Å; L299-L303 HydrophobicContact CG-CG 4.38Å; L299-L303 WeakPolarHBondContact O-CG 3.3Å; L299-L303 PolarHBondContact O-N 2.87Å; K301-L303 PolarHBondContact O-N 3.29Å; L303-G307 PolarHBondContact O-N 3.35Å; L303-R308 HydrophobicContact CB-CB 4.36Å; L303-R308 HydrophobicContact CD2-CB 3.96Å; L303-R308 CarbonylContact O-C 3.54Å; L303-R308 WeakPolarHBondContact O-CA 3.37Å; L303-R308 WeakPolarHBondContact O-CB 3.29Å; L303-R308 PolarHBondContact O-N 3.29Å; L303-V311 HydrophobicContact CD1-CB 4.5Å; L303-V311 HydrophobicContact CD1-CG1 4.23Å; L303-V311 HydrophobicContact CD2-CB 4.31Å; L303-V311 HydrophobicContact CD2-CG1 4.22Å; L303-L312 HydrophobicContact CD1-CB 4.21Å; L303-L312 HydrophobicContact CD1-CD1 4.14Å; L303-I315 HydrophobicContact CD1-CD1 4.35Å
304K91.7Very high92.7Very high110 Ų11051.6 Ų51.648%0.47826%0.255SS..Hα-helixtrans-66-47.2176.2-77-175.6170.5-162.20112.7R300 K301 F302 N306 G307 L312R300-K304 HydrophobicContact CG-CD 4.46Å; R300-K304 WeakPolarHBondContact O-CB 3.42Å; R300-K304 WeakPolarHBondContact O-CG 3.31Å; R300-K304 PolarHBondContact O-N 2.8Å; R300-K304 VanDerWaalsContact O-N 3.12Å; K301-K304 PolarHBondContact O-N 2.85Å; F302-K304 VanDerWaalsContact C-N 3.32Å; F302-K304 PolarHBondContact O-N 3.07Å; K304-N306 PolarHBondContact O-N 3.16Å; K304-G307 PolarHBondContact O-N 2.89Å; K304-G307 VanDerWaalsContact O-N 3.16Å; K304-L312 HydrophobicContact CG-CD2 4.28Å
305E92.6Very high92.7Very high134 Ų13445.5 Ų45.563%0.62623%0.228SC*.Hα-helixtrans-65.3-24.8-178.9-72.3175.3163.200112.6K301 F302K301-E305 VanDerWaalsContact CE-CD 3.49Å; K301-E305 WeakPolarHBondContact CE-OE1 3.19Å; K301-E305 HydrophobicContact CG-CG 4.35Å; K301-E305 IonicContact NZ-OE1 3.8Å; K301-E305 WeakPolarHBondContact O-CG 3.31Å; K301-E305 PolarHBondContact O-N 3.34Å; F302-E305 PolarHBondContact O-N 3.43Å
306N90.4Very high92.8Very high81 Ų8144 Ų4443%0.43322%0.223SC..THydrogen-bonded Turntrans-96.812.5177.8-69.7-88.8000113.6F302 K304 R308F302-N306 WeakPolarHBondContact O-CB 3.43Å; F302-N306 PolarHBondContact O-N 2.96Å; F302-N306 VanDerWaalsContact O-N 3.09Å; F302-N306 PolarHBondContact O-ND2 3.36Å; K304-N306 PolarHBondContact O-N 3.16Å; N306-R308 VanDerWaalsContact C-N 3.3Å; N306-R308 HydrophobicContact CB-CG 4.33Å; N306-R308 WeakPolarHBondContact O-CG 3.45Å; N306-R308 PolarHBondContact O-N 3.13Å
307G88.3Confident92.8Very high39 Ų3944.1 Ų44.140%0.40222%0.223SC..THydrogen-bonded Turntrans64.731.6178.200000114L303 K304L303-G307 PolarHBondContact O-N 3.35Å; K304-G307 PolarHBondContact O-N 2.89Å; K304-G307 VanDerWaalsContact O-N 3.16Å
308R88.8Confident92.7Very high27 Ų2741.9 Ų41.910%0.10221%0.211CC..  trans-113.740.5-178.9-56.2-56.7-59.7-120.9-3.9111.5Y212 E268 L303 N306 N310 V311 L312Y212-R308 PolarHBondContact OH-NH2 3.25Å; E268-R308 IonicContact OE1-CZ 2.78Å; E268-R308 VanDerWaalsContact OE1-CZ 3.25Å; E268-R308 IonicContact OE1-NH1 3.79Å; E268-R308 PolarHBondContact OE1-NH1 3.21Å; E268-R308 IonicContact OE1-NH2 2.9Å; E268-R308 PolarHBondContact OE1-NH2 2.82Å; L303-R308 HydrophobicContact CB-CB 4.36Å; L303-R308 HydrophobicContact CD2-CB 3.96Å; L303-R308 CarbonylContact O-C 3.54Å; L303-R308 WeakPolarHBondContact O-CA 3.37Å; L303-R308 WeakPolarHBondContact O-CB 3.29Å; L303-R308 PolarHBondContact O-N 3.29Å; N306-R308 VanDerWaalsContact C-N 3.3Å; N306-R308 HydrophobicContact CB-CG 4.33Å; N306-R308 WeakPolarHBondContact O-CG 3.45Å; N306-R308 PolarHBondContact O-N 3.13Å; R308-N310 WeakPolarHBondContact CA-OD1 3.33Å; R308-N310 PolarHBondContact O-N 2.93Å; R308-V311 HydrophobicContact CB-CB 4.43Å; R308-V311 HydrophobicContact CB-CG2 4.17Å; R308-V311 PolarHBondContact O-N 3.37Å; R308-L312 PolarHBondContact O-N 2.83Å
309A89.5Confident92.7Very high25 Ų2538 Ų3821%0.20719%0.188CC..Hα-helixtrans-66-23177.500000111.5E221 V311 L312 K313E221-A309 VanDerWaalsContact OE1-C 3.23Å; E221-A309 WeakPolarHBondContact OE1-CA 3.5Å; E221-A309 WeakPolarHBondContact OE1-CB 3.2Å; E221-A309 PolarHBondContact OE1-N 3.35Å; A309-V311 PolarHBondContact O-N 2.86Å; A309-L312 WeakPolarHBondContact O-CB 3.47Å; A309-L312 PolarHBondContact O-N 3.5Å; A309-K313 WeakPolarHBondContact O-CB 3.37Å; A309-K313 WeakPolarHBondContact O-CG 3.25Å; A309-K313 PolarHBondContact O-N 2.93Å
310N88.4Confident92.7Very high4 Ų438 Ų382%0.02119%0.188CC..Hα-helixtrans-57-47.4170.570-48.6000112.4E221 P222 F224 R308 L312 K313 E314E221-N310 HydrophobicContact CG-CB 3.96Å; E221-N310 PolarHBondContact OE1-N 2.82Å; P222-N310 HydrophobicContact CG-CB 3.77Å; P222-N310 WeakPolarHBondContact CG-ND2 3.49Å; F224-N310 HydrophobicContact CE2-CB 4.05Å; F224-N310 HydrophobicContact CZ-CB 3.98Å; R308-N310 WeakPolarHBondContact CA-OD1 3.33Å; R308-N310 PolarHBondContact O-N 2.93Å; N310-L312 VanDerWaalsContact C-N 3.31Å; N310-L312 PolarHBondContact O-N 2.98Å; N310-K313 PolarHBondContact O-N 2.93Å; N310-E314 WeakPolarHBondContact O-CG 3.32Å; N310-E314 PolarHBondContact O-N 3.14Å
311V90.9Very high92.8Very high2 Ų235.6 Ų35.61%0.01218%0.179CC..Hα-helixtrans-64-40.6177.4-1790000110.5L265 P266 L303 R308 A309 E314 I315L265-V311 HydrophobicContact CD2-CG1 3.57Å; P266-V311 HydrophobicContact CG-CG2 3.89Å; L303-V311 HydrophobicContact CD1-CB 4.5Å; L303-V311 HydrophobicContact CD1-CG1 4.23Å; L303-V311 HydrophobicContact CD2-CB 4.31Å; L303-V311 HydrophobicContact CD2-CG1 4.22Å; R308-V311 HydrophobicContact CB-CB 4.43Å; R308-V311 HydrophobicContact CB-CG2 4.17Å; R308-V311 PolarHBondContact O-N 3.37Å; A309-V311 PolarHBondContact O-N 2.86Å; V311-E314 PolarHBondContact O-N 3.29Å; V311-I315 HydrophobicContact CG1-CD1 4.23Å; V311-I315 WeakPolarHBondContact O-CG1 3.49Å; V311-I315 PolarHBondContact O-N 3.01Å
312L92.9Very high92.8Very high2 Ų229.6 Ų29.61%0.0115%0.153CC..Hα-helixtrans-60-47.7176.7-17573.9000111.5M236 W296 R300 L303 K304 R308 A309 N310 I315 V316M236-L312 HydrophobicContact CE-CD2 3.61Å; M236-L312 HydrophobicContact CE-CG 3.8Å; M236-L312 HydrophobicContact SD-CD2 3.67Å; M236-L312 HydrophobicContact SD-CG 3.97Å; W296-L312 HydrophobicContact CH2-CD1 3.2Å; W296-L312 HydrophobicContact CH2-CG 4.17Å; W296-L312 HydrophobicContact CZ2-CD1 3.85Å; W296-L312 HydrophobicContact CZ3-CD1 3.71Å; R300-L312 HydrophobicContact CB-CD1 4.03Å; R300-L312 HydrophobicContact CG-CD1 3.92Å; R300-L312 HydrophobicContact CG-CD2 3.95Å; L303-L312 HydrophobicContact CD1-CB 4.21Å; L303-L312 HydrophobicContact CD1-CD1 4.14Å; K304-L312 HydrophobicContact CG-CD2 4.28Å; R308-L312 PolarHBondContact O-N 2.83Å; A309-L312 WeakPolarHBondContact O-CB 3.47Å; A309-L312 PolarHBondContact O-N 3.5Å; N310-L312 VanDerWaalsContact C-N 3.31Å; N310-L312 PolarHBondContact O-N 2.98Å; L312-I315 PolarHBondContact O-N 2.66Å; L312-V316 WeakPolarHBondContact O-CG2 3.45Å; L312-V316 PolarHBondContact O-N 2.9Å; L312-V316 VanDerWaalsContact O-N 3.09Å
313K93Very high92.8Very high42 Ų4227.2 Ų27.218%0.18314%0.142CC..Hα-helixtrans-62.8-44.2177.6-75.6177.7178.5174.40111.3F224 D229 C232 M236 A309 N310 I315 V316 L317F224-K313 HydrophobicContact CD2-CB 4.29Å; F224-K313 HydrophobicContact CD2-CD 3.53Å; F224-K313 HydrophobicContact CE2-CB 3.59Å; F224-K313 HydrophobicContact CE2-CD 3.59Å; F224-K313 HydrophobicContact CE2-CG 4.22Å; F224-K313 HydrophobicContact CZ-CB 4.44Å; D229-K313 WeakPolarHBondContact OD1-CE 3.34Å; D229-K313 IonicContact OD1-NZ 3.7Å; D229-K313 PolarHBondContact OD1-NZ 2.82Å; D229-K313 IonicContact OD2-NZ 2.8Å; C232-K313 HydrophobicContact CB-CB 4.4Å; C232-K313 HydrophobicContact CB-CD 4.14Å; C232-K313 HydrophobicContact CB-CG 3.84Å; C232-K313 VanDerWaalsContact SG-CB 3.6Å; M236-K313 HydrophobicContact CE-CG 4.37Å; A309-K313 WeakPolarHBondContact O-CB 3.37Å; A309-K313 WeakPolarHBondContact O-CG 3.25Å; A309-K313 PolarHBondContact O-N 2.93Å; N310-K313 PolarHBondContact O-N 2.93Å; K313-I315 PolarHBondContact O-N 3.2Å; K313-V316 PolarHBondContact O-N 3.33Å; K313-L317 WeakPolarHBondContact O-CB 3.45Å; K313-L317 VanDerWaalsContact O-CG 3.29Å; K313-L317 WeakPolarHBondContact O-CG 3.45Å; K313-L317 PolarHBondContact O-N 3.11Å
314E91.5Very high92.7Very high60 Ų6028.1 Ų28.128%0.2815%0.147SC..Hα-helixtrans-58.4-44.8175.5-77.9-177.1-151.600112.6L203 F224 N310 V311 V316 L317 N318L203-E314 HydrophobicContact CD1-CG 4.31Å; F224-E314 HydrophobicContact CZ-CG 4.01Å; N310-E314 WeakPolarHBondContact O-CG 3.32Å; N310-E314 PolarHBondContact O-N 3.14Å; V311-E314 PolarHBondContact O-N 3.29Å; E314-V316 PolarHBondContact O-N 3.28Å; E314-L317 PolarHBondContact O-N 3.04Å; E314-N318 WeakPolarHBondContact O-CB 3.44Å; E314-N318 PolarHBondContact O-N 3.35Å; E314-N318 PolarHBondContact O-ND2 2.91Å
315I93.5Very high92.6Very high0 Ų025.8 Ų25.80%014%0.139CC..Hα-helixtrans-58.9-49.8175.3-68.7165.6000110F239 L261 F264 L265 W296 L299 L303 V311 L312 K313 L317 N318 F319F239-I315 HydrophobicContact CE2-CG2 4.43Å; F239-I315 HydrophobicContact CZ-CG2 4.03Å; L261-I315 HydrophobicContact CD1-CG2 4.29Å; L261-I315 HydrophobicContact CD2-CG2 4.47Å; L261-I315 HydrophobicContact CG-CG2 4.12Å; F264-I315 HydrophobicContact CB-CG1 3.87Å; L265-I315 HydrophobicContact CD2-CD1 4.13Å; W296-I315 HydrophobicContact CZ3-CG2 4.4Å; L299-I315 HydrophobicContact CD2-CD1 4.46Å; L303-I315 HydrophobicContact CD1-CD1 4.35Å; V311-I315 HydrophobicContact CG1-CD1 4.23Å; V311-I315 WeakPolarHBondContact O-CG1 3.49Å; V311-I315 PolarHBondContact O-N 3.01Å; L312-I315 PolarHBondContact O-N 2.66Å; K313-I315 PolarHBondContact O-N 3.2Å; I315-L317 PolarHBondContact O-N 3.24Å; I315-N318 PolarHBondContact O-N 3.13Å; I315-F319 HydrophobicContact CG2-CD2 4.3Å; I315-F319 WeakPolarHBondContact O-CD2 3.13Å; I315-F319 PolarHBondContact O-N 2.6Å
316V96Very high92.4Very high0 Ų020.9 Ų20.90%012%0.118CC..Hα-helixtrans-59.7-46.3-178.6169.70000111.1L235 M236 F239 W296 L312 K313 E314 F319 T320L235-V316 HydrophobicContact CB-CG1 3.39Å; M236-V316 HydrophobicContact CE-CG2 4.04Å; M236-V316 HydrophobicContact SD-CG2 4Å; F239-V316 HydrophobicContact CB-CG1 4.19Å; F239-V316 HydrophobicContact CB-CG2 4.03Å; F239-V316 HydrophobicContact CD1-CG2 4.28Å; F239-V316 HydrophobicContact CD2-CB 4.37Å; F239-V316 HydrophobicContact CD2-CG1 4.43Å; F239-V316 HydrophobicContact CD2-CG2 4.07Å; F239-V316 HydrophobicContact CG-CG2 3.86Å; W296-V316 HydrophobicContact CH2-CG2 3.9Å; W296-V316 HydrophobicContact CZ2-CG2 4.11Å; L312-V316 WeakPolarHBondContact O-CG2 3.45Å; L312-V316 PolarHBondContact O-N 2.9Å; L312-V316 VanDerWaalsContact O-N 3.09Å; K313-V316 PolarHBondContact O-N 3.33Å; E314-V316 PolarHBondContact O-N 3.28Å; V316-F319 PolarHBondContact O-N 3.09Å; V316-T320 PolarHBondContact O-N 3.13Å; V316-T320 PolarHBondContact O-OG1 2.9Å
317L95.3Very high92.3Very high1 Ų122.4 Ų22.41%0.00513%0.127CC..Hα-helixtrans-59.9-54178.8-71168.7000111.4L192 V193 L203 V228 L235 K313 E314 I315 F319 T320 Y321L192-L317 HydrophobicContact CD1-CD2 4.18Å; V193-L317 HydrophobicContact CG2-CB 4.41Å; L203-L317 HydrophobicContact CD1-CD1 3.94Å; V228-L317 HydrophobicContact CG1-CD1 3.67Å; L235-L317 HydrophobicContact CD1-CD2 4.08Å; K313-L317 WeakPolarHBondContact O-CB 3.45Å; K313-L317 VanDerWaalsContact O-CG 3.29Å; K313-L317 WeakPolarHBondContact O-CG 3.45Å; K313-L317 PolarHBondContact O-N 3.11Å; E314-L317 PolarHBondContact O-N 3.04Å; I315-L317 PolarHBondContact O-N 3.24Å; L317-F319 PolarHBondContact O-N 3.1Å; L317-T320 PolarHBondContact O-N 3.32Å; L317-Y321 HydrophobicContact CD2-CD2 3.59Å; L317-Y321 HydrophobicContact CD2-CG 3.92Å; L317-Y321 WeakPolarHBondContact O-CB 3.31Å; L317-Y321 PolarHBondContact O-N 3.41Å
318N93.1Very high92.5Very high27 Ų2720.7 Ų20.714%0.14411%0.108CC..Hα-helixtrans-59.2-25.8-176-81.9-82.1000113.5F264 E314 I315 R323F264-N318 HydrophobicContact CD1-CB 4.11Å; F264-N318 HydrophobicContact CE1-CB 3.51Å; F264-N318 WeakPolarHBondContact CE1-OD1 3.47Å; F264-N318 HydrophobicContact CE2-CB 4.39Å; F264-N318 HydrophobicContact CZ-CB 3.66Å; E314-N318 WeakPolarHBondContact O-CB 3.44Å; E314-N318 PolarHBondContact O-N 3.35Å; E314-N318 PolarHBondContact O-ND2 2.91Å; I315-N318 PolarHBondContact O-N 3.13Å; N318-R323 PolarHBondContact O-NH2 3.03Å
319F95Very high92.8Very high0 Ų019.4 Ų19.40%010%0.104CC..Hα-helixtrans-97.1-30178.8-83.2-91000113.7V114 L135 F239 Y242 L251 K260 L261 F264 I315 V316 L317 R323V114-F319 HydrophobicContact CB-CD1 3.92Å; V114-F319 HydrophobicContact CB-CE1 4.35Å; V114-F319 HydrophobicContact CG1-CD1 3.89Å; V114-F319 HydrophobicContact CG1-CE1 4.11Å; V114-F319 HydrophobicContact CG1-CG 4.4Å; L135-F319 WeakPolarHBondContact CD2-O 3.32Å; F239-F319 HydrophobicContact CD2-CB 4.35Å; F239-F319 HydrophobicContact CE2-CB 3.67Å; F239-F319 HydrophobicContact CE2-CG 4.16Å; Y242-F319 HydrophobicContact CE1-CB 3.98Å; Y242-F319 HydrophobicContact CE1-CD1 4.03Å; Y242-F319 HydrophobicContact CE1-CG 4.47Å; L251-F319 HydrophobicContact CD1-CD1 3.8Å; L251-F319 HydrophobicContact CD1-CE1 3.98Å; L251-F319 HydrophobicContact CD1-CG 4.34Å; L251-F319 HydrophobicContact CD2-CD1 4.14Å; L251-F319 HydrophobicContact CD2-CE1 3.81Å; K260-F319 HydrophobicContact CG-CZ 4.45Å; L261-F319 HydrophobicContact CB-CE2 4.17Å; L261-F319 HydrophobicContact CB-CZ 3.94Å; L261-F319 HydrophobicContact CD1-CE2 4.44Å; L261-F319 HydrophobicContact CD1-CZ 4.47Å; L261-F319 HydrophobicContact CG-CE2 4.18Å; L261-F319 HydrophobicContact CG-CZ 4.35Å; F264-F319 AromaticContact CD2-CE2 3.78Å; F264-F319 HydrophobicContact CD2-CE2 3.78Å; F264-F319 HydrophobicContact CE2-CD2 4.28Å; F264-F319 AromaticContact CE2-CE2 3.49Å; F264-F319 HydrophobicContact CE2-CE2 3.49Å; F264-F319 VanDerWaalsContact CE2-CE2 3.49Å; F264-F319 HydrophobicContact CE2-CZ 4.11Å; F264-F319 HydrophobicContact CZ-CE2 4.44Å; I315-F319 HydrophobicContact CG2-CD2 4.3Å; I315-F319 WeakPolarHBondContact O-CD2 3.13Å; I315-F319 PolarHBondContact O-N 2.6Å; V316-F319 PolarHBondContact O-N 3.09Å; L317-F319 PolarHBondContact O-N 3.1Å; F319-R323 PolarHBondContact O-NH1 3Å; F319-R323 PolarHBondContact O-NH2 2.78Å
320T96.9Very high93Very high1 Ų119.1 Ų19.11%0.00610%0.099CC..Hα-helixtrans-129.7-10.1-167.760.50000116.3L135 F239 Y242 V316 L317L135-T320 HydrophobicContact CD2-CG2 4.21Å; F239-T320 HydrophobicContact CD2-CG2 3.7Å; F239-T320 HydrophobicContact CE2-CG2 4.41Å; Y242-T320 HydrophobicContact CD1-CG2 3.5Å; Y242-T320 VanDerWaalsContact CD1-CG2 3.5Å; Y242-T320 HydrophobicContact CD2-CG2 4.31Å; Y242-T320 HydrophobicContact CE1-CG2 3.95Å; Y242-T320 HydrophobicContact CG-CG2 3.69Å; V316-T320 PolarHBondContact O-N 3.13Å; V316-T320 PolarHBondContact O-OG1 2.9Å; L317-T320 PolarHBondContact O-N 3.32Å
321Y97.4Very high93.1Very high2 Ų219.3 Ų19.31%0.00810%0.102CC..SBendtrans-70145.9178.5-172.3-93.5000112.4C142 L190 L192 V193 A231 L235 L317 R323C142-Y321 HydrophobicContact CB-CE2 4.28Å; L190-Y321 WeakPolarHBondContact O-CE1 3.37Å; L190-Y321 PolarHBondContact O-OH 2.89Å; L192-Y321 HydrophobicContact CB-CD1 3.71Å; L192-Y321 HydrophobicContact CB-CD2 4.48Å; L192-Y321 HydrophobicContact CB-CE1 3.56Å; L192-Y321 HydrophobicContact CB-CE2 4.38Å; L192-Y321 HydrophobicContact CB-CG 4.2Å; L192-Y321 HydrophobicContact CD1-CD1 4.47Å; L192-Y321 HydrophobicContact CD1-CD2 3.88Å; L192-Y321 HydrophobicContact CD1-CE1 4.05Å; L192-Y321 HydrophobicContact CD1-CE2 3.41Å; L192-Y321 VanDerWaalsContact CD1-CE2 3.41Å; L192-Y321 HydrophobicContact CD1-CG 4.41Å; L192-Y321 VanDerWaalsContact CD1-CZ 3.5Å; L192-Y321 HydrophobicContact CG-CD1 4.23Å; L192-Y321 HydrophobicContact CG-CD2 4.48Å; L192-Y321 HydrophobicContact CG-CE1 3.63Å; L192-Y321 HydrophobicContact CG-CE2 3.95Å; L192-Y321 VanDerWaalsContact CG-CZ 3.47Å; V193-Y321 HydrophobicContact CG2-CD1 4.18Å; V193-Y321 HydrophobicContact CG2-CG 4.42Å; A231-Y321 HydrophobicContact CB-CD2 3.91Å; A231-Y321 HydrophobicContact CB-CE2 3.59Å; L235-Y321 HydrophobicContact CD1-CD2 3.83Å; L235-Y321 HydrophobicContact CD1-CG 4.39Å; L317-Y321 HydrophobicContact CD2-CD2 3.59Å; L317-Y321 HydrophobicContact CD2-CG 3.92Å; L317-Y321 WeakPolarHBondContact O-CB 3.31Å; L317-Y321 PolarHBondContact O-N 3.41Å; Y321-R323 WeakPolarHBondContact O-CD 3.41Å; Y321-R323 VanDerWaalsContact O-CZ 3.23Å; Y321-R323 PolarHBondContact O-N 3.49Å; Y321-R323 PolarHBondContact O-NE 3.27Å; Y321-R323 PolarHBondContact O-NH1 3.41Å
322P96.4Very high93.2Very high1 Ų120.7 Ų20.71%0.00611%0.109CC..  trans-45.9132.1174.4-6.9-7000114.7Y111 A139 C142 I143 L324Y111-P322 WeakPolarHBondContact OH-CA 3.31Å; A139-P322 HydrophobicContact CB-CB 3.85Å; A139-P322 HydrophobicContact CB-CG 4.13Å; C142-P322 HydrophobicContact CB-CG 3.77Å; I143-P322 HydrophobicContact CD1-CB 4.02Å; I143-P322 HydrophobicContact CD1-CG 3.78Å; I143-P322 HydrophobicContact CG1-CB 3.96Å; I143-P322 HydrophobicContact CG1-CG 3.77Å; P322-L324 HydrophobicContact CB-CD2 4.16Å
323R94Very high93.3Very high13 Ų1324.7 Ų24.75%0.04913%0.13CC..  trans-101123.7162.7-63.287.9-178.1157.9-9.3106.9D110 Y111 N318 F319 Y321D110-R323 HydrophobicContact CB-CB 3.62Å; D110-R323 HydrophobicContact CB-CG 4.32Å; Y111-R323 VanDerWaalsContact CD1-CD 3.43Å; Y111-R323 HydrophobicContact CE2-CB 4.06Å; Y111-R323 HydrophobicContact CE2-CG 4.43Å; Y111-R323 PolarHBondContact OH-N 2.89Å; Y111-R323 VanDerWaalsContact OH-N 3.16Å; N318-R323 PolarHBondContact O-NH2 3.03Å; F319-R323 PolarHBondContact O-NH1 3Å; F319-R323 PolarHBondContact O-NH2 2.78Å; Y321-R323 WeakPolarHBondContact O-CD 3.41Å; Y321-R323 VanDerWaalsContact O-CZ 3.23Å; Y321-R323 PolarHBondContact O-N 3.49Å; Y321-R323 PolarHBondContact O-NE 3.27Å; Y321-R323 PolarHBondContact O-NH1 3.41Å
324L91.9Very high93.3Very high20 Ų2025.6 Ų25.611%0.10514%0.135CC..  trans-109.4133.7-174.7-57.1179.2000109.5F104 I106 I143 L190 P322 V326F104-L324 HydrophobicContact CD1-CD1 4.27Å; F104-L324 HydrophobicContact CD1-CD2 4.49Å; I106-L324 HydrophobicContact CD1-CD2 4.24Å; I106-L324 HydrophobicContact CG1-CD2 3.81Å; I143-L324 HydrophobicContact CD1-CD1 4.07Å; I143-L324 HydrophobicContact CD1-CD2 4.04Å; I143-L324 HydrophobicContact CG1-CD2 4.22Å; L190-L324 HydrophobicContact CB-CD1 3.63Å; P322-L324 HydrophobicContact CB-CD2 4.16Å; L324-V326 PolarHBondContact O-N 3.45Å; L324-V326 VanDerWaalsContact O-N 3.08Å
325D88.9Confident93.6Very high61 Ų6123.8 Ų23.833%0.32613%0.127SC..  trans-77.590.8163.2-171.7-10000109.4D105 N327 V328D105-D325 PolarHBondContact O-N 3.06Å; D325-N327 PolarHBondContact O-N 3.23Å; D325-N327 VanDerWaalsContact O-N 3.13Å; D325-N327 WeakPolarHBondContact OD1-CB 3.32Å; D325-N327 PolarHBondContact OD1-N 2.88Å; D325-N327 VanDerWaalsContact OD1-N 3.16Å; D325-N327 PolarHBondContact OD1-ND2 3.47Å; D325-V328 HydrophobicContact CB-CG2 3.82Å; D325-V328 WeakPolarHBondContact O-CB 3.43Å; D325-V328 PolarHBondContact O-N 2.83Å; D325-V328 VanDerWaalsContact O-N 3.07Å; D325-V328 WeakPolarHBondContact OD2-CG2 3.34Å
326V88.1Confident93.8Very high30 Ų3024 Ų2418%0.18213%0.129CC..Hα-helixtrans-57-28.9-177.1176.10000112.1A187 L324 V328 S329 T330A187-V326 HydrophobicContact CB-CG1 3.91Å; L324-V326 PolarHBondContact O-N 3.45Å; L324-V326 VanDerWaalsContact O-N 3.08Å; V326-V328 VanDerWaalsContact C-N 3.26Å; V326-V328 PolarHBondContact O-N 3.28Å; V326-S329 PolarHBondContact O-N 3.16Å; V326-T330 HydrophobicContact CG1-CG2 3.77Å; V326-T330 WeakPolarHBondContact O-CG2 3.28Å; V326-T330 PolarHBondContact O-N 3.39Å; V326-T330 VanDerWaalsContact O-N 3.13Å; V326-T330 PolarHBondContact O-OG1 2.8Å
327N89.3Confident93.9Very high114 Ų11425.4 Ų25.461%0.6114%0.135SC*.Hα-helixtrans-66.1-32.3-179.6-61-52.9000112.1D325 S329 T330D325-N327 PolarHBondContact O-N 3.23Å; D325-N327 VanDerWaalsContact O-N 3.13Å; D325-N327 WeakPolarHBondContact OD1-CB 3.32Å; D325-N327 PolarHBondContact OD1-N 2.88Å; D325-N327 VanDerWaalsContact OD1-N 3.16Å; D325-N327 PolarHBondContact OD1-ND2 3.47Å; N327-S329 VanDerWaalsContact C-N 3.3Å; N327-S329 PolarHBondContact O-N 3.2Å; N327-T330 PolarHBondContact O-OG1 3.32Å
328V92.3Very high94.1Very high2 Ų225.4 Ų25.41%0.01214%0.135CC..Hα-helixtrans-66.9-35.1177.7-178.80000111.2V103 D105 D325 V326 L336V103-V328 HydrophobicContact CG2-CG1 3.91Å; V103-V328 WeakPolarHBondContact CG2-O 3.48Å; D105-V328 HydrophobicContact CB-CB 4.32Å; D105-V328 HydrophobicContact CB-CG1 4.01Å; D105-V328 HydrophobicContact CB-CG2 4.14Å; D325-V328 HydrophobicContact CB-CG2 3.82Å; D325-V328 WeakPolarHBondContact O-CB 3.43Å; D325-V328 PolarHBondContact O-N 2.83Å; D325-V328 VanDerWaalsContact O-N 3.07Å; D325-V328 WeakPolarHBondContact OD2-CG2 3.34Å; V326-V328 VanDerWaalsContact C-N 3.26Å; V326-V328 PolarHBondContact O-N 3.28Å; V328-L336 HydrophobicContact CG1-CD1 4.21Å; V328-L336 HydrophobicContact CG1-CD2 4.48Å
329S95.1Very high94.3Very high1 Ų124.1 Ų24.11%0.00713%0.128CC..Hα-helixtrans-82.6-31.1-176.7-56.90000113.9V103 F104 R183 V326 N327V103-S329 VanDerWaalsContact O-CA 3.31Å; V103-S329 WeakPolarHBondContact O-CA 3.45Å; V103-S329 VanDerWaalsContact O-CB 3.29Å; V103-S329 WeakPolarHBondContact O-CB 3.38Å; V103-S329 PolarHBondContact O-OG 2.81Å; F104-S329 VanDerWaalsContact CD1-OG 3.31Å; F104-S329 WeakPolarHBondContact CD1-OG 3.34Å; R183-S329 WeakPolarHBondContact CB-O 3.41Å; V326-S329 PolarHBondContact O-N 3.16Å; N327-S329 VanDerWaalsContact C-N 3.3Å; N327-S329 PolarHBondContact O-N 3.2Å
330T93.5Very high94.5Very high18 Ų1824.1 Ų24.111%0.1113%0.128CC..Hα-helixtrans-77.9-45.2-172.252.60000113.5R183 T184 V326 N327R183-T330 WeakPolarHBondContact CD-O 3.49Å; T184-T330 HydrophobicContact CG2-CG2 4.16Å; T184-T330 WeakPolarHBondContact OG1-CG2 3.47Å; V326-T330 HydrophobicContact CG1-CG2 3.77Å; V326-T330 WeakPolarHBondContact O-CG2 3.28Å; V326-T330 PolarHBondContact O-N 3.39Å; V326-T330 VanDerWaalsContact O-N 3.13Å; V326-T330 PolarHBondContact O-OG1 2.8Å; N327-T330 PolarHBondContact O-OG1 3.32Å
331G90.9Very high94.5Very high8 Ų824 Ų248%0.08213%0.127CC..  trans-78.8124.5-172.400000113.9K100 N333 H334K100-G331 WeakPolarHBondContact CE-O 3.29Å; G331-N333 PolarHBondContact O-N 3.41Å; G331-H334 WeakPolarHBondContact O-CB 3.48Å; G331-H334 PolarHBondContact O-N 2.85Å
332L93Very high94.5Very high32 Ų3224 Ų2417%0.16813%0.127CC..THydrogen-bonded Turntrans-61-33.5172.1-88.2170.4000112.5A78 P97 K100 R183A78-L332 WeakPolarHBondContact CB-O 3.44Å; P97-L332 HydrophobicContact CB-CB 4.21Å; P97-L332 HydrophobicContact CG-CB 4.29Å; K100-L332 HydrophobicContact CB-CD2 4.19Å; K100-L332 WeakPolarHBondContact CD-O 3.34Å; K100-L332 WeakPolarHBondContact CE-O 3.49Å; R183-L332 VanDerWaalsContact CZ-CD2 3.46Å
333N93.5Very high94.4Very high85 Ų8525 Ų2546%0.45513%0.132SC..THydrogen-bonded Turntrans-91.3618066.3-31.4000114G331G331-N333 PolarHBondContact O-N 3.41Å
334H94.7Very high94.4Very high62 Ų6226.5 Ų26.529%0.28714%0.143SC..  trans-68135.3178-164.6-75.4000110.6K100 G331K100-H334 WeakPolarHBondContact CD-O 3.24Å; K100-H334 VanDerWaalsContact CE-O 3.24Å; K100-H334 WeakPolarHBondContact CE-O 3.2Å; G331-H334 WeakPolarHBondContact O-CB 3.48Å; G331-H334 PolarHBondContact O-N 2.85Å
335L97.2Very high94.5Very high21 Ų2133.1 Ų33.111%0.1117%0.171CC..  trans-95.1136.5179.5-72167.9000110.2E40 Y50 D75 I76 G77E40-L335 HydrophobicContact CG-CD2 4.15Å; Y50-L335 WeakPolarHBondContact OH-CD1 3.46Å; D75-L335 HydrophobicContact CB-CB 3.89Å; D75-L335 HydrophobicContact CB-CD2 4.39Å; I76-L335 WeakPolarHBondContact O-CA 3.39Å; G77-L335 VanDerWaalsContact CA-CD2 3.5Å
336L98Very high94.7Very high6 Ų631.9 Ų31.93%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-133.3145.4176.2-175.563.7000111.1D75 I76 V103 D105 H167 W169 V328 S338D75-L336 CarbonylContact C-O 2.88Å; D75-L336 WeakPolarHBondContact CA-O 3.34Å; I76-L336 PolarHBondContact N-O 3.02Å; I76-L336 PolarHBondContact O-N 3.13Å; I76-L336 VanDerWaalsContact O-N 3.09Å; V103-L336 HydrophobicContact CB-CD2 3.58Å; V103-L336 HydrophobicContact CG1-CD2 3.86Å; V103-L336 HydrophobicContact CG2-CD2 4.03Å; D105-L336 HydrophobicContact CB-CD1 4.27Å; H167-L336 HydrophobicContact CB-CD2 4.09Å; W169-L336 HydrophobicContact CH2-CB 3.67Å; W169-L336 HydrophobicContact CH2-CD2 4.25Å; W169-L336 HydrophobicContact CH2-CG 4.16Å; W169-L336 HydrophobicContact CZ2-CB 3.72Å; W169-L336 HydrophobicContact CZ2-CD2 3.72Å; W169-L336 HydrophobicContact CZ2-CG 3.68Å; V328-L336 HydrophobicContact CG1-CD1 4.21Å; V328-L336 HydrophobicContact CG1-CD2 4.48Å; L336-S338 PolarHBondContact O-N 3.04Å
337K98.1Very high95.1Very high29 Ų2930.4 Ų30.413%0.12616%0.157CC..EExtended strand (participates in β ladder)trans-57.7129.7-174.1-171.7-172.7-59.4-177.40111.7I74 D75 S161 W169 C341 H343 C350I74-K337 WeakPolarHBondContact O-CA 2.91Å; D75-K337 WeakPolarHBondContact OD1-CA 3.46Å; D75-K337 PolarHBondContact OD1-N 3.46Å; S161-K337 PolarHBondContact O-NZ 3.3Å; W169-K337 WeakPolarHBondContact CZ2-O 3.43Å; K337-C341 HydrophobicContact CD-CB 4.32Å; K337-C341 HydrophobicContact CG-CB 4.05Å; K337-H343 PolarHBondContact NZ-CD2 2.83Å; K337-C350 WeakPolarHBondContact CD-SG 3.35Å
338S98.3Very high95.5Very high0 Ų026.2 Ų26.20%013%0.134CC..PPolyproline II helixtrans-62.1140.3179.6-173.50000112.2I74 I76 L336 C341I74-S338 WeakPolarHBondContact O-CB 3.29Å; I74-S338 PolarHBondContact O-N 3.09Å; I76-S338 WeakPolarHBondContact CD1-OG 3.42Å; L336-S338 PolarHBondContact O-N 3.04Å; S338-C341 VanDerWaalsContact O-CB 3.23Å; S338-C341 WeakPolarHBondContact O-CB 3.23Å; S338-C341 PolarHBondContact O-N 3.09Å
339P98.3Very high95.8Very high0 Ų026.1 Ų26.10%013%0.133CC..THydrogen-bonded Turntrans-54.7150.1162.6-19.731.8000111.1W26 L157 V159 C341 P352W26-P339 HydrophobicContact CH2-CG 3.69Å; W26-P339 HydrophobicContact CZ3-CG 3.49Å; W26-P339 VanDerWaalsContact CZ3-CG 3.49Å; L157-P339 HydrophobicContact CD2-CG 4.07Å; V159-P339 HydrophobicContact CG1-CB 4.03Å; V159-P339 HydrophobicContact CG1-CG 4.34Å; V159-P339 HydrophobicContact CG2-CB 4.24Å; V159-P339 HydrophobicContact CG2-CG 3.93Å; P339-C341 PolarHBondContact O-N 3.28Å; P339-C341 VanDerWaalsContact O-N 3.14Å; P339-P352 HydrophobicContact CB-CG 4.14Å
340F98.4Very high95.9Very high0 Ų026.1 Ų26.10%013%0.133CC..THydrogen-bonded Turntrans63.17.1-175.9-53.1-81.6000115.3Y13 F18 P19 I349 C350 P352 L408 I412 F415Y13-F340 WeakPolarHBondContact CE1-O 3.19Å; Y13-F340 PolarHBondContact OH-O 3.41Å; F18-F340 HydrophobicContact CD2-CB 4.03Å; F18-F340 WeakPolarHBondContact CD2-O 3.48Å; F18-F340 HydrophobicContact CE2-CB 3.83Å; F18-F340 WeakPolarHBondContact CE2-O 3.27Å; P19-F340 HydrophobicContact CG-CB 4.27Å; P19-F340 HydrophobicContact CG-CD1 4.14Å; P19-F340 HydrophobicContact CG-CD2 3.59Å; P19-F340 HydrophobicContact CG-CE1 4.38Å; P19-F340 HydrophobicContact CG-CE2 3.87Å; P19-F340 HydrophobicContact CG-CG 3.73Å; P19-F340 HydrophobicContact CG-CZ 4.25Å; F340-I349 HydrophobicContact CB-CG2 4.45Å; F340-I349 HydrophobicContact CD1-CG2 4.37Å; F340-C350 PolarHBondContact N-O 3.48Å; F340-P352 HydrophobicContact CD2-CG 4.38Å; F340-P352 HydrophobicContact CE1-CG 4.3Å; F340-P352 HydrophobicContact CE2-CG 3.56Å; F340-P352 HydrophobicContact CZ-CG 3.52Å; F340-L408 HydrophobicContact CD1-CD1 4.08Å; F340-L408 HydrophobicContact CE1-CD1 4.2Å; F340-I412 HydrophobicContact CD1-CG1 4.5Å; F340-I412 HydrophobicContact CE1-CG1 3.7Å; F340-I412 HydrophobicContact CZ-CG1 4.06Å; F340-F415 HydrophobicContact CD2-CD1 4.48Å; F340-F415 HydrophobicContact CE2-CB 4.13Å; F340-F415 AromaticContact CE2-CD1 3.42Å; F340-F415 HydrophobicContact CE2-CD1 3.42Å; F340-F415 VanDerWaalsContact CE2-CD1 3.42Å; F340-F415 HydrophobicContact CE2-CD2 4.47Å; F340-F415 AromaticContact CE2-CE1 3.82Å; F340-F415 HydrophobicContact CE2-CE1 3.82Å; F340-F415 AromaticContact CE2-CG 3.77Å; F340-F415 HydrophobicContact CE2-CG 3.77Å; F340-F415 HydrophobicContact CZ-CB 3.88Å; F340-F415 AromaticContact CZ-CD1 3.93Å; F340-F415 HydrophobicContact CZ-CD1 3.93Å; F340-F415 HydrophobicContact CZ-CG 4.06Å
341C96.5Very high96.2Very high0 Ų025.9 Ų25.90%013%0.131CC..PPolyproline II helixtrans-65.2146.3169-164.80000110.4I74 K337 S338 P339 C350I74-C341 PolarHBondContact N-SG 3.14Å; I74-C341 VanDerWaalsContact N-SG 3.35Å; K337-C341 HydrophobicContact CD-CB 4.32Å; K337-C341 HydrophobicContact CG-CB 4.05Å; S338-C341 VanDerWaalsContact O-CB 3.23Å; S338-C341 WeakPolarHBondContact O-CB 3.23Å; S338-C341 PolarHBondContact O-N 3.09Å; P339-C341 PolarHBondContact O-N 3.28Å; P339-C341 VanDerWaalsContact O-N 3.14Å; C341-C350 WeakPolarHBondContact O-CB 3.45Å; C341-C350 PolarHBondContact O-N 3.18Å; C341-C350 PolarHBondContact O-SG 2.72Å
342V97.2Very high96.5Very high1 Ų125.6 Ų25.61%0.00613%0.128CC..BIsolated β-bridgetrans-83.5134.8171.4-170.90000108.5F5 L10 Y13 I349 L369F5-V342 HydrophobicContact CD2-CG1 3.74Å; F5-V342 HydrophobicContact CE2-CB 4Å; F5-V342 HydrophobicContact CE2-CG1 3.65Å; L10-V342 HydrophobicContact CD1-CB 4.15Å; L10-V342 HydrophobicContact CD1-CG2 3.61Å; Y13-V342 HydrophobicContact CD1-CG2 3.71Å; Y13-V342 HydrophobicContact CE1-CG2 3.63Å; Y13-V342 HydrophobicContact CG-CG2 4.45Å; V342-I349 HydrophobicContact CB-CD1 4.36Å; V342-I349 HydrophobicContact CG1-CD1 4.37Å; V342-I349 HydrophobicContact CG2-CD1 3.7Å; V342-L369 HydrophobicContact CG1-CB 3.9Å; V342-L369 HydrophobicContact CG1-CD2 4.22Å; V342-L369 HydrophobicContact CG2-CD1 4.23Å
343H96.2Very high96.8Very high21 Ų2125 Ų2510%0.09712%0.124CC..PPolyproline II helixtrans-84.7118.9173.4-176.6-65.3000110.4G162 R163 K337 K345 T346 G347 H348G162-H343 WeakPolarHBondContact O-CB 3.49Å; R163-H343 WeakPolarHBondContact CB-NE2 3.31Å; K337-H343 PolarHBondContact NZ-CD2 2.83Å; H343-K345 VanDerWaalsContact C-N 3.3Å; H343-K345 PolarHBondContact ND1-N 3.26Å; H343-K345 PolarHBondContact O-N 3.19Å; H343-K345 VanDerWaalsContact O-N 3.14Å; H343-T346 VanDerWaalsContact CB-OG1 3.28Å; H343-T346 WeakPolarHBondContact CB-OG1 3.24Å; H343-T346 PolarHBondContact ND1-OG1 2.98Å; H343-T346 VanDerWaalsContact ND1-OG1 3.17Å; H343-T346 PolarHBondContact O-N 2.88Å; H343-T346 VanDerWaalsContact O-N 3.17Å; H343-G347 WeakPolarHBondContact O-CA 3.39Å; H343-G347 PolarHBondContact O-N 3.48Å; H343-H348 PolarHBondContact N-O 2.68Å
344P93.7Very high97Very high46 Ų4623.3 Ų23.330%0.29912%0.115SC..THydrogen-bonded Turntrans-65.6-27.3-166.122.8-33.6000114.8F5 I72F5-P344 HydrophobicContact CE2-CB 4.27Å; F5-P344 HydrophobicContact CZ-CB 4.26Å; I72-P344 HydrophobicContact CB-CB 4.27Å
345K92.7Very high97.1Very high159 Ų15920.5 Ų20.569%0.69110%0.102SC*.THydrogen-bonded Turntrans-86.8-18.6179.5-54.5-175.4173.9-179.30114.8H343H343-K345 VanDerWaalsContact C-N 3.3Å; H343-K345 PolarHBondContact ND1-N 3.26Å; H343-K345 PolarHBondContact O-N 3.19Å; H343-K345 VanDerWaalsContact O-N 3.14Å
346T94.5Very high97.1Very high34 Ų3426 Ų2621%0.20913%0.127CC..THydrogen-bonded Turntrans-118.9-21.6-17352.90000111.9G162 R163 H343 H348G162-T346 PolarHBondContact O-OG1 2.92Å; R163-T346 HydrophobicContact CB-CG2 4.19Å; R163-T346 HydrophobicContact CG-CG2 3.92Å; H343-T346 VanDerWaalsContact CB-OG1 3.28Å; H343-T346 WeakPolarHBondContact CB-OG1 3.24Å; H343-T346 PolarHBondContact ND1-OG1 2.98Å; H343-T346 VanDerWaalsContact ND1-OG1 3.17Å; H343-T346 PolarHBondContact O-N 2.88Å; H343-T346 VanDerWaalsContact O-N 3.17Å; T346-H348 PolarHBondContact O-N 3.32Å; T346-H348 PolarHBondContact OG1-N 3.47Å
347G96.1Very high97Very high0 Ų030 Ų300%015%0.146CC..  trans74-9.5-170.600000113.5H343 T368 L369H343-G347 WeakPolarHBondContact O-CA 3.39Å; H343-G347 PolarHBondContact O-N 3.48Å; G347-T368 CarbonylContact O-C 3.29Å; G347-T368 WeakPolarHBondContact O-CA 3.24Å; G347-L369 PolarHBondContact O-N 3.49Å
348H97.4Very high97Very high25 Ų2528.8 Ų28.812%0.11614%0.14CC..BIsolated β-bridgetrans-64.7143.5-178.4-64154000112.3Y160 H343 T346 P363 V366 T368Y160-H348 HydrophobicContact CE1-CB 3.95Å; Y160-H348 PolarHBondContact OH-ND1 2.92Å; H343-H348 PolarHBondContact N-O 2.68Å; T346-H348 PolarHBondContact O-N 3.32Å; T346-H348 PolarHBondContact OG1-N 3.47Å; H348-P363 PolarHBondContact CE1-O 2.88Å; H348-P363 PolarHBondContact ND1-O 3.32Å; H348-V366 HydrophobicContact CB-CG1 4.23Å; H348-V366 PolarHBondContact CD2-O 2.97Å; H348-T368 VanDerWaalsContact CD2-CG2 3.46Å; H348-T368 WeakPolarHBondContact CD2-CG2 3.49Å
349I98Very high96.9Very high0 Ų032.8 Ų32.80%016%0.162CC..BIsolated β-bridgetrans-80.5136.6171.4-52.6-50000110.5Y13 F340 V342 I351 V366 P367 L372 L408Y13-I349 HydrophobicContact CE1-CD1 4.42Å; Y13-I349 HydrophobicContact CE2-CD1 3.96Å; F340-I349 HydrophobicContact CB-CG2 4.45Å; F340-I349 HydrophobicContact CD1-CG2 4.37Å; V342-I349 HydrophobicContact CB-CD1 4.36Å; V342-I349 HydrophobicContact CG1-CD1 4.37Å; V342-I349 HydrophobicContact CG2-CD1 3.7Å; I349-I351 HydrophobicContact CB-CG2 3.99Å; I349-I351 HydrophobicContact CG2-CG2 3.88Å; I349-I351 PolarHBondContact O-N 3.09Å; I349-V366 VanDerWaalsContact O-CG1 3.24Å; I349-V366 WeakPolarHBondContact O-CG1 3.42Å; I349-P367 WeakPolarHBondContact CG1-O 3.31Å; I349-P367 PolarHBondContact N-O 3.22Å; I349-L372 HydrophobicContact CD1-CD1 4.03Å; I349-L372 HydrophobicContact CG1-CD1 3.51Å; I349-L408 HydrophobicContact CB-CD1 4.48Å; I349-L408 HydrophobicContact CG2-CD1 3.93Å
350C98.5Very high96.8Very high1 Ų140.1 Ų40.11%0.00719%0.194CC..  trans-75.373.7175.4-60.10000110.9V159 Y160 S161 K337 F340 C341V159-C350 HydrophobicContact CG1-CB 4.24Å; V159-C350 VanDerWaalsContact CG1-O 3.32Å; V159-C350 WeakPolarHBondContact CG1-O 3.43Å; Y160-C350 CarbonylContact O-C 3.53Å; Y160-C350 WeakPolarHBondContact O-CA 3.28Å; Y160-C350 WeakPolarHBondContact O-CB 3.26Å; S161-C350 VanDerWaalsContact C-SG 3.55Å; S161-C350 PolarHBondContact O-SG 2.84Å; S161-C350 VanDerWaalsContact O-SG 3.37Å; K337-C350 WeakPolarHBondContact CD-SG 3.35Å; F340-C350 PolarHBondContact N-O 3.48Å; C341-C350 WeakPolarHBondContact O-CB 3.45Å; C341-C350 PolarHBondContact O-N 3.18Å; C341-C350 PolarHBondContact O-SG 2.72Å
351I98.4Very high96.8Very high14 Ų1440.9 Ų40.97%0.07220%0.198CC..  trans-76.3137.8-170.758.4168.6000113.3V159 Y160 I349 V366 L408 S411V159-I351 WeakPolarHBondContact CA-O 3.22Å; Y160-I351 PolarHBondContact N-O 2.99Å; I349-I351 HydrophobicContact CB-CG2 3.99Å; I349-I351 HydrophobicContact CG2-CG2 3.88Å; I349-I351 PolarHBondContact O-N 3.09Å; I351-V366 HydrophobicContact CD1-CG1 3.95Å; I351-V366 HydrophobicContact CD1-CG2 4.06Å; I351-V366 HydrophobicContact CG1-CG1 3.95Å; I351-V366 HydrophobicContact CG1-CG2 4.46Å; I351-V366 HydrophobicContact CG2-CG1 4.31Å; I351-L408 HydrophobicContact CG2-CD1 3.9Å; I351-S411 WeakPolarHBondContact CB-OG 3.34Å
352P98.6Very high96.8Very high1 Ų142.6 Ų42.61%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-63.4147.2159.9-25.737.7000112.3L157 W158 P339 F340 Y414 F415L157-P352 HydrophobicContact CD1-CB 3.92Å; L157-P352 HydrophobicContact CD1-CG 4.4Å; W158-P352 WeakPolarHBondContact O-CA 3.34Å; P339-P352 HydrophobicContact CB-CG 4.14Å; F340-P352 HydrophobicContact CD2-CG 4.38Å; F340-P352 HydrophobicContact CE1-CG 4.3Å; F340-P352 HydrophobicContact CE2-CG 3.56Å; F340-P352 HydrophobicContact CZ-CG 3.52Å; P352-Y414 HydrophobicContact CB-CD1 3.91Å; P352-Y414 HydrophobicContact CB-CE1 4.19Å; P352-F415 HydrophobicContact CB-CB 4.48Å; P352-F415 HydrophobicContact CG-CB 4.25Å; P352-F415 HydrophobicContact CG-CD2 4.32Å; P352-F415 HydrophobicContact CG-CG 4.37Å
353F98.3Very high96.7Very high19 Ų1942.6 Ų42.68%0.08321%0.207CC..EExtended strand (participates in β ladder)trans-146.4159.4177.464.6-89.6000112.1V140 W158 V166 P355 V358 L361 Y414V140-F353 HydrophobicContact CG1-CE2 4.28Å; V140-F353 HydrophobicContact CG2-CE2 4.33Å; V140-F353 HydrophobicContact CG2-CZ 4.03Å; W158-F353 HydrophobicContact CB-CD1 4.48Å; W158-F353 HydrophobicContact CB-CD2 4.37Å; W158-F353 HydrophobicContact CB-CE1 3.97Å; W158-F353 HydrophobicContact CB-CE2 3.84Å; W158-F353 HydrophobicContact CB-CZ 3.63Å; W158-F353 HydrophobicContact CG-CZ 4.45Å; W158-F353 PolarHBondContact O-N 2.72Å; V166-F353 HydrophobicContact CG1-CE1 4.16Å; V166-F353 HydrophobicContact CG1-CZ 4.07Å; F353-P355 WeakPolarHBondContact O-CD 3.18Å; F353-V358 HydrophobicContact CE2-CB 4.23Å; F353-V358 HydrophobicContact CE2-CG2 3.83Å; F353-V358 HydrophobicContact CZ-CG2 4.47Å; F353-L361 HydrophobicContact CD1-CD2 3.78Å; F353-L361 HydrophobicContact CD2-CD2 4.11Å; F353-L361 HydrophobicContact CE1-CD2 3.63Å; F353-L361 HydrophobicContact CE2-CD2 3.99Å; F353-L361 HydrophobicContact CG-CD2 4.02Å; F353-L361 HydrophobicContact CZ-CD2 3.74Å; F353-Y414 WeakPolarHBondContact O-CE1 3.1Å; F353-Y414 VanDerWaalsContact O-CZ 3.27Å; F353-Y414 PolarHBondContact O-OH 2.88Å; F353-Y414 VanDerWaalsContact O-OH 3.13Å
354N97.9Very high96.6Very high51 Ų5146.4 Ų46.427%0.27322%0.223SC..  trans-75.8118174.3-176.3-3.2000110.1Q356 E357 V358 Y414N354-Q356 PolarHBondContact O-N 3.39Å; N354-Q356 WeakPolarHBondContact OD1-CB 3.45Å; N354-Q356 PolarHBondContact OD1-N 3.38Å; N354-E357 HydrophobicContact CB-CB 4.35Å; N354-E357 HydrophobicContact CB-CG 4.32Å; N354-E357 CarbonylContact O-C 3.58Å; N354-E357 PolarHBondContact O-N 2.98Å; N354-V358 PolarHBondContact O-N 3.36Å; N354-Y414 HydrophobicContact CB-CD2 4.18Å; N354-Y414 HydrophobicContact CB-CE2 3.65Å
355P97.8Very high96.7Very high2 Ų250.3 Ų50.31%0.01324%0.242CC..G310 helixtrans-61.1-27.3179.424.8-34.9000113.2V140 D144 W158 F353 E357 V358 Y414V140-P355 HydrophobicContact CG1-CB 3.74Å; D144-P355 HydrophobicContact CB-CB 4.38Å; D144-P355 WeakPolarHBondContact OD1-CG 3.17Å; W158-P355 HydrophobicContact CG-CB 4.18Å; F353-P355 WeakPolarHBondContact O-CD 3.18Å; P355-E357 PolarHBondContact O-N 3.48Å; P355-V358 VanDerWaalsContact O-CB 3.31Å; P355-V358 WeakPolarHBondContact O-CB 3.48Å; P355-V358 VanDerWaalsContact O-CG1 3.32Å; P355-V358 WeakPolarHBondContact O-CG1 3.49Å; P355-V358 PolarHBondContact O-N 3.24Å; P355-Y414 WeakPolarHBondContact CD-OH 3.49Å
356Q95.9Very high96.9Very high136 Ų13642.9 Ų42.964%0.63621%0.21SC*.G310 helixtrans-69.2-18.2176.1-59.6-59.7-41.800112.7N354N354-Q356 PolarHBondContact O-N 3.39Å; N354-Q356 WeakPolarHBondContact OD1-CB 3.45Å; N354-Q356 PolarHBondContact OD1-N 3.38Å
357E96.6Very high97Very high92 Ų9241.8 Ų41.843%0.4320%0.203SC..G310 helixtrans-110.118.7177.5-57.7-166.5-160.100112.4N354 P355 D359 K360N354-E357 HydrophobicContact CB-CB 4.35Å; N354-E357 HydrophobicContact CB-CG 4.32Å; N354-E357 CarbonylContact O-C 3.58Å; N354-E357 PolarHBondContact O-N 2.98Å; P355-E357 PolarHBondContact O-N 3.48Å; E357-D359 PolarHBondContact O-N 2.83Å; E357-K360 HydrophobicContact CB-CD 4.3Å; E357-K360 WeakPolarHBondContact O-CB 3.47Å; E357-K360 PolarHBondContact O-N 2.75Å; E357-K360 IonicContact OE1-NZ 2.67Å; E357-K360 IonicContact OE2-NZ 3.96Å; E357-K360 PolarHBondContact OE2-NZ 3.47Å
358V97.6Very high97.1Very high2 Ų242.5 Ų42.51%0.01221%0.208CC..G310 helixtrans-58.1-25-17569.70000113.6R137 V140 L141 F353 N354 P355 K360 L361R137-V358 HydrophobicContact CB-CG1 4.42Å; R137-V358 HydrophobicContact CB-CG2 4.14Å; R137-V358 HydrophobicContact CG-CG2 4.09Å; R137-V358 PolarHBondContact NE-O 3.5Å; V140-V358 HydrophobicContact CB-CB 4.48Å; V140-V358 HydrophobicContact CB-CG2 3.87Å; V140-V358 HydrophobicContact CG1-CB 4.17Å; V140-V358 HydrophobicContact CG1-CG1 4.43Å; V140-V358 HydrophobicContact CG1-CG2 3.98Å; V140-V358 HydrophobicContact CG2-CG2 3.88Å; L141-V358 HydrophobicContact CD1-CG1 4.25Å; L141-V358 HydrophobicContact CD2-CG1 3.76Å; L141-V358 HydrophobicContact CG-CG1 3.81Å; F353-V358 HydrophobicContact CE2-CB 4.23Å; F353-V358 HydrophobicContact CE2-CG2 3.83Å; F353-V358 HydrophobicContact CZ-CG2 4.47Å; N354-V358 PolarHBondContact O-N 3.36Å; P355-V358 VanDerWaalsContact O-CB 3.31Å; P355-V358 WeakPolarHBondContact O-CB 3.48Å; P355-V358 VanDerWaalsContact O-CG1 3.32Å; P355-V358 WeakPolarHBondContact O-CG1 3.49Å; P355-V358 PolarHBondContact O-N 3.24Å; V358-K360 PolarHBondContact O-N 3.03Å; V358-L361 WeakPolarHBondContact O-CB 3.13Å; V358-L361 PolarHBondContact O-N 3.49Å; V358-L361 VanDerWaalsContact O-N 3.13Å
359D97Very high97Very high85 Ų8541.3 Ų41.346%0.45520%0.202SC..G310 helixtrans-66.5-22.8173.9-84.1-49.1000114.6R137 R238 E357R137-D359 WeakPolarHBondContact CD-OD1 3.41Å; R137-D359 PolarHBondContact NH1-O 3.22Å; R137-D359 IonicContact NH1-OD1 3.25Å; R137-D359 PolarHBondContact NH2-O 3.18Å; R238-D359 IonicContact CZ-OD1 3.65Å; R238-D359 IonicContact NH1-OD1 3.76Å; R238-D359 IonicContact NH2-OD1 2.68Å; R238-D359 PolarHBondContact NH2-OD1 3.39Å; R238-D359 IonicContact NH2-OD2 4Å; R238-D359 PolarHBondContact NH2-OD2 3.36Å; E357-D359 PolarHBondContact O-N 2.83Å
360K96.3Very high96.9Very high154 Ų15443.6 Ų43.667%0.6722%0.215SC*.G310 helixtrans-83.9-14.5173.7-55.2-177.6-167.4165.30112.7E357 V358 D362E357-K360 HydrophobicContact CB-CD 4.3Å; E357-K360 WeakPolarHBondContact O-CB 3.47Å; E357-K360 PolarHBondContact O-N 2.75Å; E357-K360 IonicContact OE1-NZ 2.67Å; E357-K360 IonicContact OE2-NZ 3.96Å; E357-K360 PolarHBondContact OE2-NZ 3.47Å; V358-K360 PolarHBondContact O-N 3.03Å; K360-D362 PolarHBondContact O-N 3.21Å; K360-D362 VanDerWaalsContact O-N 3.11Å
361L96.7Very high96.7Very high16 Ų1647.4 Ų47.48%0.08423%0.232CC..  trans-70.8107.5179.4-178.564.1000109.7W133 R137 F353 V358 V366W133-L361 HydrophobicContact CZ2-CD2 3.84Å; W133-L361 HydrophobicContact CZ2-CG 4.11Å; W133-L361 PolarHBondContact NE1-O 3.27Å; R137-L361 PolarHBondContact NE-O 2.92Å; R137-L361 PolarHBondContact NH2-O 3.43Å; F353-L361 HydrophobicContact CD1-CD2 3.78Å; F353-L361 HydrophobicContact CD2-CD2 4.11Å; F353-L361 HydrophobicContact CE1-CD2 3.63Å; F353-L361 HydrophobicContact CE2-CD2 3.99Å; F353-L361 HydrophobicContact CG-CD2 4.02Å; F353-L361 HydrophobicContact CZ-CD2 3.74Å; V358-L361 WeakPolarHBondContact O-CB 3.13Å; V358-L361 PolarHBondContact O-N 3.49Å; V358-L361 VanDerWaalsContact O-N 3.13Å; L361-V366 HydrophobicContact CD1-CG2 4.38Å
362D96.6Very high96.6Very high35 Ų3546.7 Ų46.719%0.18723%0.229CC..  trans-105.4118.5172.4-174.6-24.3000109.2K360 F364 N365K360-D362 PolarHBondContact O-N 3.21Å; K360-D362 VanDerWaalsContact O-N 3.11Å; D362-F364 PolarHBondContact O-N 3.39Å; D362-F364 VanDerWaalsContact O-N 3.12Å; D362-F364 WeakPolarHBondContact OD1-CB 3.44Å; D362-F364 WeakPolarHBondContact OD1-CD2 3.42Å; D362-F364 PolarHBondContact OD1-N 2.95Å; D362-N365 HydrophobicContact CB-CB 4.22Å; D362-N365 PolarHBondContact O-N 2.69Å; D362-N365 PolarHBondContact OD2-ND2 2.81Å
363P95.7Very high96.3Very high1 Ų147.4 Ų47.41%0.00623%0.233CC..THydrogen-bonded Turntrans-68.3-10.2-17631.7-37000113.4W133 Y160 H348W133-P363 HydrophobicContact CB-CG 4.46Å; W133-P363 HydrophobicContact CD2-CB 4.2Å; W133-P363 HydrophobicContact CD2-CG 3.65Å; W133-P363 HydrophobicContact CE3-CB 4.22Å; W133-P363 HydrophobicContact CE3-CG 3.93Å; W133-P363 HydrophobicContact CG-CG 3.88Å; W133-P363 HydrophobicContact CH2-CB 4.23Å; W133-P363 HydrophobicContact CZ2-CB 4.18Å; W133-P363 HydrophobicContact CZ2-CG 4.45Å; W133-P363 HydrophobicContact CZ3-CB 4.25Å; W133-P363 HydrophobicContact CZ3-CG 4.45Å; Y160-P363 HydrophobicContact CE2-CB 3.9Å; H348-P363 PolarHBondContact CE1-O 2.88Å; H348-P363 PolarHBondContact ND1-O 3.32Å
364F95.5Very high96.1Very high101 Ų10151.8 Ų51.844%0.44325%0.254SS..THydrogen-bonded Turntrans-98-11.8178-59.6-78000113.7V128 L130 D362V128-F364 HydrophobicContact CG1-CZ 4.13Å; L130-F364 HydrophobicContact CD2-CD2 3.97Å; L130-F364 HydrophobicContact CD2-CE2 4.19Å; L130-F364 HydrophobicContact CG-CD2 4.22Å; L130-F364 HydrophobicContact CG-CE2 4.21Å; D362-F364 PolarHBondContact O-N 3.39Å; D362-F364 VanDerWaalsContact O-N 3.12Å; D362-F364 WeakPolarHBondContact OD1-CB 3.44Å; D362-F364 WeakPolarHBondContact OD1-CD2 3.42Å; D362-F364 PolarHBondContact OD1-N 2.95Å
365N95.5Very high95.9Very high128 Ų12852 Ų5268%0.68425%0.253SS*.SBendtrans-106.212.8176.1-64.1-31.6000112.2D362D362-N365 HydrophobicContact CB-CB 4.22Å; D362-N365 PolarHBondContact O-N 2.69Å; D362-N365 PolarHBondContact OD2-ND2 2.81Å
366V96.7Very high95.5Very high4 Ų452.1 Ų52.12%0.02425%0.253CS..SBendtrans-76.2134.6174.6174.90000108.8Y160 H348 I349 I351 L361 T368Y160-V366 HydrophobicContact CD1-CB 4.3Å; Y160-V366 HydrophobicContact CD1-CG1 3.89Å; Y160-V366 HydrophobicContact CD1-CG2 3.87Å; Y160-V366 HydrophobicContact CE1-CB 4.12Å; Y160-V366 HydrophobicContact CE1-CG1 4.03Å; Y160-V366 HydrophobicContact CE1-CG2 3.91Å; H348-V366 HydrophobicContact CB-CG1 4.23Å; H348-V366 PolarHBondContact CD2-O 2.97Å; I349-V366 VanDerWaalsContact O-CG1 3.24Å; I349-V366 WeakPolarHBondContact O-CG1 3.42Å; I351-V366 HydrophobicContact CD1-CG1 3.95Å; I351-V366 HydrophobicContact CD1-CG2 4.06Å; I351-V366 HydrophobicContact CG1-CG1 3.95Å; I351-V366 HydrophobicContact CG1-CG2 4.46Å; I351-V366 HydrophobicContact CG2-CG1 4.31Å; L361-V366 HydrophobicContact CD1-CG2 4.38Å; V366-T368 PolarHBondContact O-N 3.45Å
367P96.6Very high95Very high10 Ų1048.1 Ų48.17%0.06524%0.241CC..PPolyproline II helixtrans-51.8135.2-179.6-27.334.5000112.9I349 L372 S407I349-P367 WeakPolarHBondContact CG1-O 3.31Å; I349-P367 PolarHBondContact N-O 3.22Å; P367-L372 HydrophobicContact CB-CD1 4.12Å; P367-L372 HydrophobicContact CB-CD2 3.96Å; P367-L372 HydrophobicContact CB-CG 3.99Å; P367-S407 WeakPolarHBondContact CB-OG 3.43Å; P367-S407 WeakPolarHBondContact CG-OG 3.46Å
368T97Very high94.4Very high16 Ų1646.7 Ų46.710%0.09824%0.241CC..BIsolated β-bridgetrans-94159.2170.767.40000111.8G347 H348 V366 N370 E371 L372G347-T368 CarbonylContact O-C 3.29Å; G347-T368 WeakPolarHBondContact O-CA 3.24Å; H348-T368 VanDerWaalsContact CD2-CG2 3.46Å; H348-T368 WeakPolarHBondContact CD2-CG2 3.49Å; V366-T368 PolarHBondContact O-N 3.45Å; T368-N370 VanDerWaalsContact C-N 3.28Å; T368-N370 PolarHBondContact O-N 3.46Å; T368-E371 PolarHBondContact N-OE2 3.32Å; T368-E371 PolarHBondContact O-N 3.4Å; T368-E371 WeakPolarHBondContact OG1-CB 3.37Å; T368-E371 WeakPolarHBondContact OG1-CG 3.44Å; T368-E371 PolarHBondContact OG1-N 2.69Å; T368-E371 PolarHBondContact OG1-OE1 3.04Å; T368-E371 PolarHBondContact OG1-OE2 3.05Å; T368-L372 VanDerWaalsContact O-CG 3.31Å; T368-L372 WeakPolarHBondContact O-CG 3.45Å; T368-L372 PolarHBondContact O-N 2.76Å; T368-L372 VanDerWaalsContact O-N 3.1Å
369L96.8Very high93.5Very high0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-53.8-45.7173.5176.562.9000111.9F5 L9 L10 Y13 V342 G347 L372 V373F5-L369 HydrophobicContact CD2-CD2 4.07Å; F5-L369 HydrophobicContact CE2-CD2 4.44Å; L9-L369 HydrophobicContact CB-CD1 4.36Å; L9-L369 HydrophobicContact CB-CD2 3.75Å; L9-L369 HydrophobicContact CB-CG 3.88Å; L10-L369 HydrophobicContact CB-CD2 4.3Å; L10-L369 HydrophobicContact CD1-CD2 4.47Å; Y13-L369 HydrophobicContact CD1-CD1 4.41Å; Y13-L369 HydrophobicContact CD2-CD1 4.27Å; Y13-L369 HydrophobicContact CG-CD1 3.8Å; V342-L369 HydrophobicContact CG1-CB 3.9Å; V342-L369 HydrophobicContact CG1-CD2 4.22Å; V342-L369 HydrophobicContact CG2-CD1 4.23Å; G347-L369 PolarHBondContact O-N 3.49Å; L369-L372 PolarHBondContact O-N 2.91Å; L369-V373 HydrophobicContact CD1-CG2 4.4Å; L369-V373 WeakPolarHBondContact O-CG2 3.17Å; L369-V373 PolarHBondContact O-N 3.22Å
370N94.8Very high92Very high48 Ų4846 Ų4626%0.25724%0.239SC..Hα-helixtrans-64.9-50-178-169.949.7000111.6L9 T368 L372 V373 E374L9-N370 HydrophobicContact CD1-CB 4.4Å; T368-N370 VanDerWaalsContact C-N 3.28Å; T368-N370 PolarHBondContact O-N 3.46Å; N370-L372 VanDerWaalsContact C-N 3.28Å; N370-L372 PolarHBondContact O-N 3.39Å; N370-V373 PolarHBondContact O-N 3.25Å; N370-V373 VanDerWaalsContact O-N 3.11Å; N370-E374 PolarHBondContact ND2-OE1 3.41Å; N370-E374 WeakPolarHBondContact O-CG 3.38Å; N370-E374 PolarHBondContact O-N 3.43Å
371E95.3Very high90.3Very high80 Ų8044.1 Ų44.137%0.37424%0.237SC..Hα-helixtrans-55.3-42.9177.3-73.8159.4-163.700112.3T368 V373 E374 Q375T368-E371 PolarHBondContact N-OE2 3.32Å; T368-E371 PolarHBondContact O-N 3.4Å; T368-E371 WeakPolarHBondContact OG1-CB 3.37Å; T368-E371 WeakPolarHBondContact OG1-CG 3.44Å; T368-E371 PolarHBondContact OG1-N 2.69Å; T368-E371 PolarHBondContact OG1-OE1 3.04Å; T368-E371 PolarHBondContact OG1-OE2 3.05Å; E371-V373 PolarHBondContact O-N 2.94Å; E371-E374 PolarHBondContact O-N 3.39Å; E371-Q375 WeakPolarHBondContact O-CB 3.32Å; E371-Q375 WeakPolarHBondContact O-CG 2.97Å; E371-Q375 PolarHBondContact O-N 2.81Å
372L95.5Very high88.4Confident0 Ų049.1 Ų49.10%026%0.264CS..Hα-helixtrans-67.4-35.8-179.6-71.2178.6000112.7Y13 L17 I349 P367 T368 L369 N370 L376 S407 L408Y13-L372 HydrophobicContact CD2-CD1 4.44Å; Y13-L372 HydrophobicContact CE2-CD1 4.13Å; L17-L372 HydrophobicContact CD1-CB 3.74Å; L17-L372 HydrophobicContact CD1-CD1 4.39Å; I349-L372 HydrophobicContact CD1-CD1 4.03Å; I349-L372 HydrophobicContact CG1-CD1 3.51Å; P367-L372 HydrophobicContact CB-CD1 4.12Å; P367-L372 HydrophobicContact CB-CD2 3.96Å; P367-L372 HydrophobicContact CB-CG 3.99Å; T368-L372 VanDerWaalsContact O-CG 3.31Å; T368-L372 WeakPolarHBondContact O-CG 3.45Å; T368-L372 PolarHBondContact O-N 2.76Å; T368-L372 VanDerWaalsContact O-N 3.1Å; L369-L372 PolarHBondContact O-N 2.91Å; N370-L372 VanDerWaalsContact C-N 3.28Å; N370-L372 PolarHBondContact O-N 3.39Å; L372-L376 WeakPolarHBondContact O-CG 3.4Å; L372-L376 PolarHBondContact O-N 3.09Å; L372-L376 VanDerWaalsContact O-N 3.12Å; L372-S407 WeakPolarHBondContact CD2-OG 3.49Å; L372-L408 HydrophobicContact CD1-CB 4.35Å; L372-L408 HydrophobicContact CD1-CD2 4.25Å; L372-L408 HydrophobicContact CD2-CB 3.88Å
373V93.1Very high86.2Confident15 Ų1553.5 Ų53.59%0.09128%0.283CS..Hα-helixtrans-73.2-37176.3175.80000111.1L9 V12 L369 N370 E371 L376 S377L9-V373 HydrophobicContact CB-CG2 4.35Å; L9-V373 HydrophobicContact CD2-CB 3.9Å; L9-V373 HydrophobicContact CD2-CG1 3.64Å; L9-V373 HydrophobicContact CD2-CG2 4.07Å; V12-V373 HydrophobicContact CB-CG2 4.3Å; V12-V373 HydrophobicContact CG1-CG1 4.22Å; V12-V373 HydrophobicContact CG1-CG2 4.17Å; L369-V373 HydrophobicContact CD1-CG2 4.4Å; L369-V373 WeakPolarHBondContact O-CG2 3.17Å; L369-V373 PolarHBondContact O-N 3.22Å; N370-V373 PolarHBondContact O-N 3.25Å; N370-V373 VanDerWaalsContact O-N 3.11Å; E371-V373 PolarHBondContact O-N 2.94Å; V373-L376 PolarHBondContact O-N 3.28Å; V373-S377 PolarHBondContact O-N 3.19Å; V373-S377 VanDerWaalsContact O-N 3.11Å; V373-S377 PolarHBondContact O-OG 3.48Å
374E92.7Very high83.8Confident112 Ų11260.9 Ų60.952%0.52332%0.317SS..Hα-helixtrans-61.1-48.4172.4-72.4172.7-176.300111.5N370 E371 L376 S377 S378N370-E374 PolarHBondContact ND2-OE1 3.41Å; N370-E374 WeakPolarHBondContact O-CG 3.38Å; N370-E374 PolarHBondContact O-N 3.43Å; E371-E374 PolarHBondContact O-N 3.39Å; E374-L376 VanDerWaalsContact C-N 3.28Å; E374-L376 PolarHBondContact O-N 2.82Å; E374-S377 WeakPolarHBondContact O-CB 3.45Å; E374-S377 PolarHBondContact O-N 3.44Å; E374-S378 PolarHBondContact O-N 3.45Å
375Q93.5Very high81.1Confident55 Ų5563.4 Ų63.426%0.25734%0.335SS..Hα-helixtrans-59.3-36.4175.8-72.4167.47.800112.7E371 S377 S378 V379 T406 S407E371-Q375 WeakPolarHBondContact O-CB 3.32Å; E371-Q375 WeakPolarHBondContact O-CG 2.97Å; E371-Q375 PolarHBondContact O-N 2.81Å; Q375-S377 VanDerWaalsContact C-N 3.31Å; Q375-S378 PolarHBondContact O-OG 2.99Å; Q375-V379 WeakPolarHBondContact O-CG2 3.48Å; Q375-T406 HydrophobicContact CB-CG2 4.25Å; Q375-T406 VanDerWaalsContact OE1-CB 3.28Å; Q375-S407 PolarHBondContact NE2-OG 2.9Å; Q375-S407 PolarHBondContact OE1-OG 2.96Å
376L89.9Confident78Confident4 Ų462.5 Ų62.52%0.02134%0.337CS..Hα-helixtrans-67.2-33.4174.4-83.8-178.1000113.2V12 R16 L17 L372 V373 E374 T380 T406V12-L376 HydrophobicContact CG1-CD1 4.3Å; R16-L376 HydrophobicContact CB-CD1 3.85Å; L17-L376 HydrophobicContact CD1-CD1 3.58Å; L17-L376 HydrophobicContact CD1-CG 4.05Å; L17-L376 HydrophobicContact CD2-CD1 3.95Å; L17-L376 HydrophobicContact CD2-CD2 3.91Å; L17-L376 HydrophobicContact CD2-CG 4.08Å; L17-L376 HydrophobicContact CG-CD1 3.62Å; L17-L376 HydrophobicContact CG-CG 4.24Å; L372-L376 WeakPolarHBondContact O-CG 3.4Å; L372-L376 PolarHBondContact O-N 3.09Å; L372-L376 VanDerWaalsContact O-N 3.12Å; V373-L376 PolarHBondContact O-N 3.28Å; E374-L376 VanDerWaalsContact C-N 3.28Å; E374-L376 PolarHBondContact O-N 2.82Å; L376-T380 PolarHBondContact O-N 3.29Å; L376-T380 PolarHBondContact O-OG1 3.14Å; L376-T406 HydrophobicContact CD2-CG2 4.12Å; L376-T406 HydrophobicContact CG-CG2 4.23Å
377S86.3Confident74.9Confident53 Ų5366.9 Ų66.937%0.37137%0.368SS..Hα-helixtrans-77.1-36.4-175.9-540000111.3V373 E374 Q375 T380 N381V373-S377 PolarHBondContact O-N 3.19Å; V373-S377 VanDerWaalsContact O-N 3.11Å; V373-S377 PolarHBondContact O-OG 3.48Å; E374-S377 WeakPolarHBondContact O-CB 3.45Å; E374-S377 PolarHBondContact O-N 3.44Å; Q375-S377 VanDerWaalsContact C-N 3.31Å; S377-T380 WeakPolarHBondContact CA-OG1 3.39Å; S377-T380 PolarHBondContact O-N 3.29Å; S377-T380 PolarHBondContact O-OG1 3.19Å; S377-N381 PolarHBondContact O-N 3.07Å; S377-N381 PolarHBondContact O-ND2 2.93Å
378S83.4Confident71.6Confident62 Ų6273.1 Ų73.143%0.43440%0.401SS..Hα-helixtrans-62.6-43175.4600000111.8E374 Q375 T380 N381 D382E374-S378 PolarHBondContact O-N 3.45Å; Q375-S378 PolarHBondContact O-OG 2.99Å; S378-T380 PolarHBondContact O-N 3.49Å; S378-N381 PolarHBondContact O-N 3.17Å; S378-D382 PolarHBondContact O-N 2.79Å
379V77.7Confident68.7Low31 Ų3180.1 Ų80.119%0.18844%0.438CS..Hα-helixtrans-63.2-41.6178.6175.70000111.8Q375 N381 D382 E383 N405Q375-V379 WeakPolarHBondContact O-CG2 3.48Å; V379-N381 VanDerWaalsContact C-N 3.29Å; V379-N381 PolarHBondContact O-N 3.39Å; V379-D382 PolarHBondContact O-N 3.41Å; V379-E383 PolarHBondContact O-N 2.94Å; V379-E383 VanDerWaalsContact O-N 3.09Å; V379-N405 HydrophobicContact CG1-CB 4.49Å; V379-N405 HydrophobicContact CG2-CB 3.64Å
380T67.4Low66Low41 Ų4185.4 Ų85.425%0.25247%0.466SS..Hα-helixtrans-70.4-25.9-179.844.60000113.4L376 S377 S378 H384L376-T380 PolarHBondContact O-N 3.29Å; L376-T380 PolarHBondContact O-OG1 3.14Å; S377-T380 WeakPolarHBondContact CA-OG1 3.39Å; S377-T380 PolarHBondContact O-N 3.29Å; S377-T380 PolarHBondContact O-OG1 3.19Å; S378-T380 PolarHBondContact O-N 3.49Å; T380-H384 PolarHBondContact O-CD2 3.02Å
381N60.2Low63.4Low114 Ų11492.5 Ų92.561%0.6150%0.498SS*.Hα-helixtrans-75.2-35.5175.2-70.2-17.9000111.2S377 S378 V379 H384S377-N381 PolarHBondContact O-N 3.07Å; S377-N381 PolarHBondContact O-ND2 2.93Å; S378-N381 PolarHBondContact O-N 3.17Å; V379-N381 VanDerWaalsContact C-N 3.29Å; V379-N381 PolarHBondContact O-N 3.39Å; N381-H384 PolarHBondContact O-N 2.85Å
382D55.9Low60.8Low122 Ų12296.6 Ų96.665%0.65252%0.522SS*.Hα-helixtrans-72.5-32.1176.7-65.4-25.6000112.3S378 V379 H384 D385S378-D382 PolarHBondContact O-N 2.79Å; V379-D382 PolarHBondContact O-N 3.41Å; D382-H384 PolarHBondContact O-N 3.3Å; D382-D385 PolarHBondContact O-N 3.06Å
383E51Low58.2Low127 Ų12799.3 Ų99.359%0.59354%0.536SS*.Hα-helixtrans-70.7-17.8175.5-75.2-179.6179.700113.2V379 D385 C386V379-E383 PolarHBondContact O-N 2.94Å; V379-E383 VanDerWaalsContact O-N 3.09Å; E383-D385 VanDerWaalsContact C-N 3.3Å; E383-D385 PolarHBondContact O-N 3.34Å; E383-C386 PolarHBondContact O-N 2.96Å
384H45.4Very low55.8Low156 Ų156101.2 Ų101.272%0.72255%0.55SS**THydrogen-bonded Turntrans-77-11.3175.7-95.9-63.7000114.2T380 N381 D382T380-H384 PolarHBondContact O-CD2 3.02Å; N381-H384 PolarHBondContact O-N 2.85Å; D382-H384 PolarHBondContact O-N 3.3Å
385D37.9Very low53.7Low154 Ų154100.9 Ų100.982%0.82456%0.56SS**THydrogen-bonded Turntrans-94.7-5.9171.5-91.8-21.3000113.8D382 E383D382-D385 PolarHBondContact O-N 3.06Å; E383-D385 VanDerWaalsContact C-N 3.3Å; E383-D385 PolarHBondContact O-N 3.34Å
386C31.8Very low51.4Low108 Ų108104.2 Ų104.273%0.7358%0.58SS**SBendtrans-112.472.3174.2-74.60000110.7E383E383-C386 PolarHBondContact O-N 2.96Å
387S29.7Very low49.4Very low96 Ų96107.6 Ų107.667%0.67160%0.598SS**  trans-60.6134.6172.1-64.20000111.8
388N29.2Very low47.7Very low142 Ų142110.9 Ų110.976%0.75961%0.606SS**SBendtrans78.697.6163-51.2-30.1000116.4
389N35.9Very low46.4Very low162 Ų162109.6 Ų109.687%0.86659%0.593SS**SBendtrans-176.6-3.7132.9-88.3-24.2000117.9
390D38.4Very low45.3Very low111 Ų111111.6 Ų111.659%0.59460%0.602SS**  trans-111.361.5-177.6-77.7-26.7000114.7N392 I393D390-N392 VanDerWaalsContact C-N 3.31Å; D390-I393 HydrophobicContact CB-CD1 4.14Å
391E40.3Very low45.7Very low197 Ų197113.4 Ų113.492%0.92161%0.61SS**THydrogen-bonded Turntrans-80.9-2.5171.5-71.7-162.5155.900114.2
392N42.5Very low46.7Very low167 Ų167108.6 Ų108.689%0.89359%0.585SS**THydrogen-bonded Turntrans-106.68.2-176.4-82.4-32000115.7D390D390-N392 VanDerWaalsContact C-N 3.31Å
393I40.1Very low48.3Very low56 Ų56103.9 Ų103.929%0.28756%0.559SS.*SBendtrans-96115.3178.1-58.8-178.4000108.8D390 D397 K398D390-I393 HydrophobicContact CB-CD1 4.14Å; I393-D397 HydrophobicContact CG2-CB 3.38Å; I393-K398 HydrophobicContact CB-CG 4.13Å; I393-K398 HydrophobicContact CG2-CB 4.47Å; I393-K398 HydrophobicContact CG2-CG 3.56Å
394S43.3Very low50.2Low56 Ų56102 Ų10239%0.39255%0.548SS..  trans-54.6147.4175.782.30000110N396 D397 K398S394-N396 PolarHBondContact O-N 3.19Å; S394-D397 PolarHBondContact O-N 2.98Å; S394-D397 VanDerWaalsContact OG-CG 3.3Å; S394-D397 PolarHBondContact OG-N 2.92Å; S394-D397 PolarHBondContact OG-OD2 2.98Å; S394-K398 PolarHBondContact O-N 3.29Å
395S47.7Very low52.3Low105 Ų10599 Ų9973%0.73454%0.538SS*.Hα-helixtrans-56.2-22.7178.952.70000113.3
396N45.5Very low55Low125 Ų12592.1 Ų92.167%0.66850%0.501SS*.Hα-helixtrans-73.2-30.5172.4-77-22.9000113.3S394 L400S394-N396 PolarHBondContact O-N 3.19Å; N396-L400 WeakPolarHBondContact O-CG 3.15Å
397D48.5Very low58Low75 Ų7589.2 Ų89.240%0.40148%0.482SS..Hα-helixtrans-83.2-32.2-178.7-65.8-44000112.8I393 S394 H399 L400I393-D397 HydrophobicContact CG2-CB 3.38Å; S394-D397 PolarHBondContact O-N 2.98Å; S394-D397 VanDerWaalsContact OG-CG 3.3Å; S394-D397 PolarHBondContact OG-N 2.92Å; S394-D397 PolarHBondContact OG-OD2 2.98Å; D397-H399 PolarHBondContact O-N 3.33Å; D397-L400 WeakPolarHBondContact O-CB 3.01Å; D397-L400 PolarHBondContact O-N 2.92Å; D397-L400 VanDerWaalsContact O-N 3.13Å
398K49.8Very low61.1Low121 Ų12184.6 Ų84.653%0.52645%0.45SS..Hα-helixtrans-62.1-33.4172.3-69.9-167.4178.9-174.90112I393 S394I393-K398 HydrophobicContact CB-CG 4.13Å; I393-K398 HydrophobicContact CG2-CB 4.47Å; I393-K398 HydrophobicContact CG2-CG 3.56Å; S394-K398 PolarHBondContact O-N 3.29Å
399H55.7Low64.3Low35 Ų3583.4 Ų83.416%0.16244%0.435CS..Hα-helixtrans-61.6-45.6172.8178.5-79.3000112.1R15 R16 R63 D397 L401 S402R15-H399 PolarHBondContact O-CD2 3.4Å; R15-H399 PolarHBondContact O-NE2 3.1Å; R16-H399 WeakPolarHBondContact CA-CD2 3.49Å; R16-H399 VanDerWaalsContact CA-NE2 3.3Å; R16-H399 WeakPolarHBondContact CA-NE2 3.22Å; R16-H399 PolarHBondContact O-CD2 3.32Å; R16-H399 VanDerWaalsContact O-CD2 3.25Å; R16-H399 PolarHBondContact O-CE1 3.35Å; R16-H399 PolarHBondContact O-NE2 3.29Å; R63-H399 VanDerWaalsContact CZ-CE1 3.44Å; R63-H399 PolarHBondContact NH1-CE1 3.25Å; R63-H399 PolarHBondContact NH1-NE2 3.11Å; R63-H399 PolarHBondContact NH2-CE1 2.97Å; D397-H399 PolarHBondContact O-N 3.33Å; H399-L401 PolarHBondContact O-N 2.89Å; H399-S402 PolarHBondContact O-N 2.83Å; H399-S402 PolarHBondContact O-OG 2.82Å
400L56Low67.1Low73 Ų7379.5 Ų79.538%0.38242%0.42SS..Hα-helixtrans-62.1-15.9-174.1-75.8167.7000113.6N396 D397 F403N396-L400 WeakPolarHBondContact O-CG 3.15Å; D397-L400 WeakPolarHBondContact O-CB 3.01Å; D397-L400 PolarHBondContact O-N 2.92Å; D397-L400 VanDerWaalsContact O-N 3.13Å; L400-F403 WeakPolarHBondContact O-CD1 3.29Å; L400-F403 WeakPolarHBondContact O-CE1 3.27Å
401L75.4Confident69.9Low80 Ų8074.5 Ų74.542%0.41939%0.394SS..Hα-helixtrans-108.4-17.9-179.5-64.5171000113.7H399 F403 K404H399-L401 PolarHBondContact O-N 2.89Å; L401-F403 VanDerWaalsContact C-N 3.26Å; L401-F403 PolarHBondContact O-N 2.85Å; L401-F403 VanDerWaalsContact O-N 3.17Å; L401-K404 HydrophobicContact CD2-CD 3.68Å; L401-K404 VanDerWaalsContact CD2-CE 3.46Å; L401-K404 VanDerWaalsContact O-CB 3.23Å; L401-K404 WeakPolarHBondContact O-CB 3.43Å; L401-K404 WeakPolarHBondContact O-CG 3.37Å; L401-K404 PolarHBondContact O-N 3.21Å
402S81.5Confident72.6Confident12 Ų1265.2 Ų65.28%0.08435%0.351CS..Hα-helixtrans-60-34-171.865.40000113.8R16 H399 K404 N405R16-S402 PolarHBondContact O-OG 2.87Å; H399-S402 PolarHBondContact O-N 2.83Å; H399-S402 PolarHBondContact O-OG 2.82Å; S402-K404 PolarHBondContact O-N 3.33Å; S402-N405 PolarHBondContact O-N 3.38Å
403F89.1Confident75.2Confident24 Ų2460.8 Ų60.811%0.10533%0.325CS..G310 helixtrans-65.2-23.8177.280.1-96.8000113.2L17 L400 L401 N405 T406 R409 I412L17-F403 HydrophobicContact CD2-CB 4.03Å; L400-F403 WeakPolarHBondContact O-CD1 3.29Å; L400-F403 WeakPolarHBondContact O-CE1 3.27Å; L401-F403 VanDerWaalsContact C-N 3.26Å; L401-F403 PolarHBondContact O-N 2.85Å; L401-F403 VanDerWaalsContact O-N 3.17Å; F403-N405 PolarHBondContact O-N 3.35Å; F403-T406 PolarHBondContact O-N 3.15Å; F403-T406 PolarHBondContact O-OG1 3.05Å; F403-R409 HydrophobicContact CD2-CB 4.44Å; F403-R409 HydrophobicContact CE2-CG 4.4Å; F403-I412 HydrophobicContact CB-CD1 3.59Å; F403-I412 HydrophobicContact CD1-CD1 4.15Å; F403-I412 HydrophobicContact CD1-CG2 4.34Å; F403-I412 HydrophobicContact CD2-CB 3.82Å; F403-I412 HydrophobicContact CD2-CD1 3.56Å; F403-I412 HydrophobicContact CD2-CG1 4.26Å; F403-I412 HydrophobicContact CD2-CG2 3.83Å; F403-I412 HydrophobicContact CE1-CG2 3.92Å; F403-I412 HydrophobicContact CE2-CB 3.71Å; F403-I412 HydrophobicContact CE2-CD1 4.28Å; F403-I412 HydrophobicContact CE2-CG2 3.4Å; F403-I412 HydrophobicContact CG-CB 4.5Å; F403-I412 HydrophobicContact CG-CD1 3.49Å; F403-I412 VanDerWaalsContact CG-CD1 3.49Å; F403-I412 HydrophobicContact CG-CG2 4.29Å; F403-I412 HydrophobicContact CZ-CB 4.29Å; F403-I412 HydrophobicContact CZ-CG2 3.45Å; F403-I412 VanDerWaalsContact CZ-CG2 3.45Å
404K90.2Very high77.9Confident86 Ų8660.8 Ų60.837%0.37432%0.322SS..G310 helixtrans-65.5-20.2-177.9-65.7-175.8173.7178.90112.9L401 S402 R409L401-K404 HydrophobicContact CD2-CD 3.68Å; L401-K404 VanDerWaalsContact CD2-CE 3.46Å; L401-K404 VanDerWaalsContact O-CB 3.23Å; L401-K404 WeakPolarHBondContact O-CB 3.43Å; L401-K404 WeakPolarHBondContact O-CG 3.37Å; L401-K404 PolarHBondContact O-N 3.21Å; S402-K404 PolarHBondContact O-N 3.33Å; K404-R409 WeakPolarHBondContact O-CD 3.49Å
405N89.6Confident80.6Confident93 Ų9358.1 Ų58.150%0.49730%0.303SS..G310 helixtrans-99.314.3177.1-59.2-25.7000112.2V379 S402 F403V379-N405 HydrophobicContact CG1-CB 4.49Å; V379-N405 HydrophobicContact CG2-CB 3.64Å; S402-N405 PolarHBondContact O-N 3.38Å; F403-N405 PolarHBondContact O-N 3.35Å
406T94.5Very high82.9Confident10 Ų1056.3 Ų56.36%0.06128%0.283CS..SBendtrans-121.9163.1-179.972.40000111.2L17 Q375 L376 F403 L408 R409L17-T406 HydrophobicContact CD2-CG2 3.99Å; Q375-T406 HydrophobicContact CB-CG2 4.25Å; Q375-T406 VanDerWaalsContact OE1-CB 3.28Å; L376-T406 HydrophobicContact CD2-CG2 4.12Å; L376-T406 HydrophobicContact CG-CG2 4.23Å; F403-T406 PolarHBondContact O-N 3.15Å; F403-T406 PolarHBondContact O-OG1 3.05Å; T406-L408 PolarHBondContact O-N 3.35Å; T406-L408 VanDerWaalsContact O-N 3.08Å; T406-L408 WeakPolarHBondContact OG1-CB 3.13Å; T406-L408 PolarHBondContact OG1-N 3.17Å; T406-R409 WeakPolarHBondContact O-CB 3.17Å; T406-R409 PolarHBondContact O-N 2.78Å; T406-R409 VanDerWaalsContact O-N 3.17Å
407S95.3Very high85.4Confident47 Ų4753.6 Ų53.633%0.32927%0.271SS..THydrogen-bonded Turntrans-65-7.1172.855.10000113.6P367 L372 Q375 R409P367-S407 WeakPolarHBondContact CB-OG 3.43Å; P367-S407 WeakPolarHBondContact CG-OG 3.46Å; L372-S407 WeakPolarHBondContact CD2-OG 3.49Å; Q375-S407 PolarHBondContact NE2-OG 2.9Å; Q375-S407 PolarHBondContact OE1-OG 2.96Å; S407-R409 VanDerWaalsContact C-N 3.3Å
408L95.7Very high87.7Confident0 Ų050.7 Ų50.70%026%0.255CS..THydrogen-bonded Turntrans-77.9-12.7174.2-163.560000113.6Y13 L17 F340 I349 I351 L372 T406 S410 S411 I412Y13-L408 HydrophobicContact CE2-CD2 4.15Å; L17-L408 HydrophobicContact CB-CD2 4.37Å; F340-L408 HydrophobicContact CD1-CD1 4.08Å; F340-L408 HydrophobicContact CE1-CD1 4.2Å; I349-L408 HydrophobicContact CB-CD1 4.48Å; I349-L408 HydrophobicContact CG2-CD1 3.93Å; I351-L408 HydrophobicContact CG2-CD1 3.9Å; L372-L408 HydrophobicContact CD1-CB 4.35Å; L372-L408 HydrophobicContact CD1-CD2 4.25Å; L372-L408 HydrophobicContact CD2-CB 3.88Å; T406-L408 PolarHBondContact O-N 3.35Å; T406-L408 VanDerWaalsContact O-N 3.08Å; T406-L408 WeakPolarHBondContact OG1-CB 3.13Å; T406-L408 PolarHBondContact OG1-N 3.17Å; L408-S410 PolarHBondContact O-N 2.86Å; L408-S411 PolarHBondContact O-N 3.2Å; L408-I412 HydrophobicContact CB-CD1 4.45Å; L408-I412 HydrophobicContact CD2-CD1 3.69Å; L408-I412 HydrophobicContact CD2-CG1 4.42Å; L408-I412 HydrophobicContact CG-CD1 3.72Å; L408-I412 HydrophobicContact CG-CG1 4.07Å; L408-I412 PolarHBondContact O-N 3.31Å; L408-I412 VanDerWaalsContact O-N 3.13Å
409R95.8Very high90Very high116 Ų11645 Ų4544%0.43823%0.23SC..Hα-helixtrans-50.6-54.4-175.3179.8-177.2179.9165-4.9114F403 K404 T406 S407 S411 I412 E413F403-R409 HydrophobicContact CD2-CB 4.44Å; F403-R409 HydrophobicContact CE2-CG 4.4Å; K404-R409 WeakPolarHBondContact O-CD 3.49Å; T406-R409 WeakPolarHBondContact O-CB 3.17Å; T406-R409 PolarHBondContact O-N 2.78Å; T406-R409 VanDerWaalsContact O-N 3.17Å; S407-R409 VanDerWaalsContact C-N 3.3Å; R409-S411 VanDerWaalsContact C-N 3.3Å; R409-S411 PolarHBondContact O-N 3.37Å; R409-I412 PolarHBondContact O-N 3.38Å; R409-E413 HydrophobicContact CG-CG 4.24Å; R409-E413 IonicContact CZ-OE1 3.98Å; R409-E413 IonicContact NE-OE1 3.95Å; R409-E413 PolarHBondContact NE-OE1 2.85Å; R409-E413 IonicContact NE-OE2 3.87Å; R409-E413 IonicContact NH2-OE1 2.75Å; R409-E413 PolarHBondContact NH2-OE1 3.37Å; R409-E413 WeakPolarHBondContact O-CG 3.28Å; R409-E413 PolarHBondContact O-N 3.06Å
410S95.3Very high91.9Very high80 Ų8049 Ų4956%0.55925%0.247SC*.Hα-helixtrans-60.2-41.1-174.454.40000112.1L408 Y414L408-S410 PolarHBondContact O-N 2.86Å; S410-Y414 WeakPolarHBondContact O-CB 3.22Å; S410-Y414 PolarHBondContact O-N 3.01Å
411S97.1Very high93.9Very high7 Ų750.8 Ų50.85%0.04925%0.253CS..Hα-helixtrans-69.2-36.2178.3-58.50000112.8I351 L408 R409 F415I351-S411 WeakPolarHBondContact CB-OG 3.34Å; L408-S411 PolarHBondContact O-N 3.2Å; R409-S411 VanDerWaalsContact C-N 3.3Å; R409-S411 PolarHBondContact O-N 3.37Å; S411-F415 WeakPolarHBondContact O-CB 3.25Å; S411-F415 PolarHBondContact O-N 3.44Å
412I96.7Very high94.9Very high2 Ų247.1 Ų47.11%0.0123%0.234CC..Hα-helixtrans-70.7-44.5175.3-72.5171.9000111.1L22 F340 F403 L408 R409 Y414 F415 E416L22-I412 HydrophobicContact CD1-CG2 3.7Å; F340-I412 HydrophobicContact CD1-CG1 4.5Å; F340-I412 HydrophobicContact CE1-CG1 3.7Å; F340-I412 HydrophobicContact CZ-CG1 4.06Å; F403-I412 HydrophobicContact CB-CD1 3.59Å; F403-I412 HydrophobicContact CD1-CD1 4.15Å; F403-I412 HydrophobicContact CD1-CG2 4.34Å; F403-I412 HydrophobicContact CD2-CB 3.82Å; F403-I412 HydrophobicContact CD2-CD1 3.56Å; F403-I412 HydrophobicContact CD2-CG1 4.26Å; F403-I412 HydrophobicContact CD2-CG2 3.83Å; F403-I412 HydrophobicContact CE1-CG2 3.92Å; F403-I412 HydrophobicContact CE2-CB 3.71Å; F403-I412 HydrophobicContact CE2-CD1 4.28Å; F403-I412 HydrophobicContact CE2-CG2 3.4Å; F403-I412 HydrophobicContact CG-CB 4.5Å; F403-I412 HydrophobicContact CG-CD1 3.49Å; F403-I412 VanDerWaalsContact CG-CD1 3.49Å; F403-I412 HydrophobicContact CG-CG2 4.29Å; F403-I412 HydrophobicContact CZ-CB 4.29Å; F403-I412 HydrophobicContact CZ-CG2 3.45Å; F403-I412 VanDerWaalsContact CZ-CG2 3.45Å; L408-I412 HydrophobicContact CB-CD1 4.45Å; L408-I412 HydrophobicContact CD2-CD1 3.69Å; L408-I412 HydrophobicContact CD2-CG1 4.42Å; L408-I412 HydrophobicContact CG-CD1 3.72Å; L408-I412 HydrophobicContact CG-CG1 4.07Å; L408-I412 PolarHBondContact O-N 3.31Å; L408-I412 VanDerWaalsContact O-N 3.13Å; R409-I412 PolarHBondContact O-N 3.38Å; I412-Y414 VanDerWaalsContact C-N 3.33Å; I412-Y414 PolarHBondContact O-N 3.22Å; I412-F415 PolarHBondContact O-N 2.6Å; I412-E416 WeakPolarHBondContact O-CB 3.41Å; I412-E416 PolarHBondContact O-N 3.14Å
413E96.7Very high95.5Very high73 Ų7347.5 Ų47.534%0.34124%0.235SC..Hα-helixtrans-62.8-39.9177.4-72.6176.5166.100111.7R409 T417R409-E413 HydrophobicContact CG-CG 4.24Å; R409-E413 IonicContact CZ-OE1 3.98Å; R409-E413 IonicContact NE-OE1 3.95Å; R409-E413 PolarHBondContact NE-OE1 2.85Å; R409-E413 IonicContact NE-OE2 3.87Å; R409-E413 IonicContact NH2-OE1 2.75Å; R409-E413 PolarHBondContact NH2-OE1 3.37Å; R409-E413 WeakPolarHBondContact O-CG 3.28Å; R409-E413 PolarHBondContact O-N 3.06Å; E413-T417 WeakPolarHBondContact O-CB 3.5Å; E413-T417 PolarHBondContact O-N 3.15Å; E413-T417 PolarHBondContact O-OG1 3.41Å
414Y97.7Very high95.8Very high57 Ų5753.5 Ų53.522%0.22426%0.261CS..Hα-helixtrans-60.8-47.2171.6175.3-100.2000111.5L157 P352 F353 N354 P355 S410 I412 E416 T417 F418L157-Y414 HydrophobicContact CD1-CE1 4.32Å; P352-Y414 HydrophobicContact CB-CD1 3.91Å; P352-Y414 HydrophobicContact CB-CE1 4.19Å; F353-Y414 WeakPolarHBondContact O-CE1 3.1Å; F353-Y414 VanDerWaalsContact O-CZ 3.27Å; F353-Y414 PolarHBondContact O-OH 2.88Å; F353-Y414 VanDerWaalsContact O-OH 3.13Å; N354-Y414 HydrophobicContact CB-CD2 4.18Å; N354-Y414 HydrophobicContact CB-CE2 3.65Å; P355-Y414 WeakPolarHBondContact CD-OH 3.49Å; S410-Y414 WeakPolarHBondContact O-CB 3.22Å; S410-Y414 PolarHBondContact O-N 3.01Å; I412-Y414 VanDerWaalsContact C-N 3.33Å; I412-Y414 PolarHBondContact O-N 3.22Å; Y414-E416 PolarHBondContact O-N 3.46Å; Y414-T417 PolarHBondContact O-N 2.77Å; Y414-F418 WeakPolarHBondContact O-CB 3.47Å; Y414-F418 PolarHBondContact O-N 2.77Å
415F98.1Very high95.9Very high0 Ų050.8 Ų50.80%025%0.254CS..Hα-helixtrans-64.3-40.6179.3-175.9-129.4000112.7L22 W26 L157 F340 P352 S411 I412 T417 F418 I419L22-F415 HydrophobicContact CB-CD1 3.87Å; L22-F415 HydrophobicContact CB-CE1 3.72Å; L22-F415 HydrophobicContact CD1-CD1 4.25Å; W26-F415 HydrophobicContact CB-CE2 4.25Å; W26-F415 HydrophobicContact CB-CZ 3.77Å; W26-F415 AromaticContact CD2-CE2 3.87Å; W26-F415 HydrophobicContact CD2-CE2 3.87Å; W26-F415 AromaticContact CD2-CZ 3.83Å; W26-F415 HydrophobicContact CD2-CZ 3.83Å; W26-F415 AromaticContact CE3-CE2 3.92Å; W26-F415 HydrophobicContact CE3-CE2 3.92Å; W26-F415 AromaticContact CE3-CZ 3.58Å; W26-F415 HydrophobicContact CE3-CZ 3.58Å; W26-F415 HydrophobicContact CG-CE2 4.04Å; W26-F415 AromaticContact CG-CZ 3.96Å; W26-F415 HydrophobicContact CG-CZ 3.96Å; W26-F415 HydrophobicContact CZ3-CZ 4.42Å; L157-F415 HydrophobicContact CD1-CD2 3.88Å; L157-F415 HydrophobicContact CD1-CE2 4.29Å; L157-F415 HydrophobicContact CD2-CD2 4.12Å; L157-F415 HydrophobicContact CD2-CE2 3.71Å; F340-F415 HydrophobicContact CD2-CD1 4.48Å; F340-F415 HydrophobicContact CE2-CB 4.13Å; F340-F415 AromaticContact CE2-CD1 3.42Å; F340-F415 HydrophobicContact CE2-CD1 3.42Å; F340-F415 VanDerWaalsContact CE2-CD1 3.42Å; F340-F415 HydrophobicContact CE2-CD2 4.47Å; F340-F415 AromaticContact CE2-CE1 3.82Å; F340-F415 HydrophobicContact CE2-CE1 3.82Å; F340-F415 AromaticContact CE2-CG 3.77Å; F340-F415 HydrophobicContact CE2-CG 3.77Å; F340-F415 HydrophobicContact CZ-CB 3.88Å; F340-F415 AromaticContact CZ-CD1 3.93Å; F340-F415 HydrophobicContact CZ-CD1 3.93Å; F340-F415 HydrophobicContact CZ-CG 4.06Å; P352-F415 HydrophobicContact CB-CB 4.48Å; P352-F415 HydrophobicContact CG-CB 4.25Å; P352-F415 HydrophobicContact CG-CD2 4.32Å; P352-F415 HydrophobicContact CG-CG 4.37Å; S411-F415 WeakPolarHBondContact O-CB 3.25Å; S411-F415 PolarHBondContact O-N 3.44Å; I412-F415 PolarHBondContact O-N 2.6Å; F415-T417 VanDerWaalsContact C-N 3.34Å; F415-T417 PolarHBondContact O-N 3.46Å; F415-F418 HydrophobicContact CD2-CD1 4.45Å; F415-F418 WeakPolarHBondContact O-CB 3.28Å; F415-F418 PolarHBondContact O-N 3.12Å; F415-I419 HydrophobicContact CD1-CD1 3.8Å; F415-I419 HydrophobicContact CD2-CD1 4.21Å; F415-I419 HydrophobicContact CD2-CG1 4.33Å; F415-I419 HydrophobicContact CE1-CD1 3.58Å; F415-I419 HydrophobicContact CE2-CD1 3.97Å; F415-I419 HydrophobicContact CE2-CG1 4.08Å; F415-I419 HydrophobicContact CG-CD1 4.13Å; F415-I419 HydrophobicContact CZ-CD1 3.66Å; F415-I419 HydrophobicContact CZ-CG1 4.21Å; F415-I419 VanDerWaalsContact O-CG1 3.27Å; F415-I419 WeakPolarHBondContact O-CG1 3.25Å; F415-I419 PolarHBondContact O-N 3.41Å
416E96.8Very high96Very high67 Ų6747.3 Ų47.331%0.31324%0.235SC..Hα-helixtrans-60.3-44.5174.2-171.6-171.7157.900111.3L22 I412 Y414 I419 K420L22-E416 HydrophobicContact CD1-CB 4.25Å; L22-E416 HydrophobicContact CD2-CB 4.25Å; L22-E416 HydrophobicContact CD2-CG 4.02Å; I412-E416 WeakPolarHBondContact O-CB 3.41Å; I412-E416 PolarHBondContact O-N 3.14Å; Y414-E416 PolarHBondContact O-N 3.46Å; E416-I419 PolarHBondContact O-N 2.97Å; E416-K420 WeakPolarHBondContact O-CG 3.48Å; E416-K420 PolarHBondContact O-N 3.18Å; E416-K420 VanDerWaalsContact OE1-CE 3.25Å; E416-K420 WeakPolarHBondContact OE1-CE 3.44Å; E416-K420 IonicContact OE1-NZ 3.77Å; E416-K420 PolarHBondContact OE1-NZ 2.93Å
417T97.7Very high95.6Very high67 Ų6750.2 Ų50.241%0.41125%0.251SS..Hα-helixtrans-63.4-42.7176.6-57.80000111.6E413 Y414 F415 K420 H421E413-T417 WeakPolarHBondContact O-CB 3.5Å; E413-T417 PolarHBondContact O-N 3.15Å; E413-T417 PolarHBondContact O-OG1 3.41Å; Y414-T417 PolarHBondContact O-N 2.77Å; F415-T417 VanDerWaalsContact C-N 3.34Å; F415-T417 PolarHBondContact O-N 3.46Å; T417-K420 PolarHBondContact O-N 3.26Å; T417-H421 PolarHBondContact O-N 2.97Å; T417-H421 PolarHBondContact O-ND1 2.81Å
418F98.2Very high95.2Very high15 Ų1551.2 Ų51.27%0.06626%0.258CS..Hα-helixtrans-57.8-49.3174.3174.9-92.6000111.6W26 H155 L157 C171 Y414 F415 K420 H421 V422W26-F418 AromaticContact NE1-CE1 3.98Å; H155-F418 HydrophobicContact CB-CE2 4.34Å; H155-F418 HydrophobicContact CB-CZ 4.22Å; L157-F418 HydrophobicContact CB-CD1 4.4Å; L157-F418 HydrophobicContact CB-CE1 3.81Å; L157-F418 HydrophobicContact CB-CE2 4.03Å; L157-F418 HydrophobicContact CB-CZ 3.62Å; L157-F418 HydrophobicContact CD1-CD1 3.91Å; L157-F418 HydrophobicContact CD1-CD2 4.33Å; L157-F418 HydrophobicContact CD1-CE1 4.18Å; L157-F418 HydrophobicContact CD1-CG 4Å; L157-F418 HydrophobicContact CD2-CE1 4.48Å; L157-F418 HydrophobicContact CG-CE1 4.39Å; C171-F418 HydrophobicContact CB-CE1 4.48Å; C171-F418 HydrophobicContact CB-CZ 4.07Å; Y414-F418 WeakPolarHBondContact O-CB 3.47Å; Y414-F418 PolarHBondContact O-N 2.77Å; F415-F418 HydrophobicContact CD2-CD1 4.45Å; F415-F418 WeakPolarHBondContact O-CB 3.28Å; F415-F418 PolarHBondContact O-N 3.12Å; F418-K420 VanDerWaalsContact C-N 3.33Å; F418-K420 PolarHBondContact O-N 3Å; F418-H421 PolarHBondContact O-N 3.22Å; F418-H421 VanDerWaalsContact O-N 3.16Å; F418-V422 HydrophobicContact CD1-CG2 4.07Å; F418-V422 HydrophobicContact CE1-CG2 3.56Å; F418-V422 HydrophobicContact CE2-CG2 4.27Å; F418-V422 WeakPolarHBondContact O-CG2 3.25Å; F418-V422 HydrophobicContact CZ-CG2 3.66Å; F418-V422 PolarHBondContact O-N 3.4Å
419I97.1Very high94.5Very high2 Ų253.8 Ų53.81%0.0128%0.275CS..Hα-helixtrans-59-44.8178.2-68.6163000110.7L22 Q25 W26 F415 E416 H421 V422 L423L22-I419 HydrophobicContact CB-CD1 3.77Å; L22-I419 HydrophobicContact CD2-CD1 4.18Å; L22-I419 VanDerWaalsContact O-CD1 3.25Å; L22-I419 WeakPolarHBondContact O-CD1 3.41Å; Q25-I419 HydrophobicContact CB-CG2 4.1Å; W26-I419 HydrophobicContact CB-CD1 3.99Å; W26-I419 HydrophobicContact CB-CG1 3.87Å; W26-I419 HydrophobicContact CG-CG1 4.48Å; F415-I419 HydrophobicContact CD1-CD1 3.8Å; F415-I419 HydrophobicContact CD2-CD1 4.21Å; F415-I419 HydrophobicContact CD2-CG1 4.33Å; F415-I419 HydrophobicContact CE1-CD1 3.58Å; F415-I419 HydrophobicContact CE2-CD1 3.97Å; F415-I419 HydrophobicContact CE2-CG1 4.08Å; F415-I419 HydrophobicContact CG-CD1 4.13Å; F415-I419 HydrophobicContact CZ-CD1 3.66Å; F415-I419 HydrophobicContact CZ-CG1 4.21Å; F415-I419 VanDerWaalsContact O-CG1 3.27Å; F415-I419 WeakPolarHBondContact O-CG1 3.25Å; F415-I419 PolarHBondContact O-N 3.41Å; E416-I419 PolarHBondContact O-N 2.97Å; I419-H421 VanDerWaalsContact C-N 3.26Å; I419-H421 PolarHBondContact O-N 3.03Å; I419-V422 PolarHBondContact O-N 3.22Å; I419-V422 VanDerWaalsContact O-N 3.13Å; I419-L423 HydrophobicContact CG2-CD1 3.64Å; I419-L423 HydrophobicContact CG2-CG 3.86Å; I419-L423 WeakPolarHBondContact O-CB 3.26Å; I419-L423 WeakPolarHBondContact O-CG 3.19Å; I419-L423 PolarHBondContact O-N 2.89Å
420K96.6Very high93.5Very high117 Ų11752.3 Ų52.351%0.50927%0.274SS..Hα-helixtrans-55.1-42.6177.4-75171.4-176.5165.20111.9E416 T417 F418 K424E416-K420 WeakPolarHBondContact O-CG 3.48Å; E416-K420 PolarHBondContact O-N 3.18Å; E416-K420 VanDerWaalsContact OE1-CE 3.25Å; E416-K420 WeakPolarHBondContact OE1-CE 3.44Å; E416-K420 IonicContact OE1-NZ 3.77Å; E416-K420 PolarHBondContact OE1-NZ 2.93Å; T417-K420 PolarHBondContact O-N 3.26Å; F418-K420 VanDerWaalsContact C-N 3.33Å; F418-K420 PolarHBondContact O-N 3Å; K420-K424 VanDerWaalsContact O-CB 3.32Å; K420-K424 WeakPolarHBondContact O-CB 3.42Å; K420-K424 PolarHBondContact O-N 3.3Å
421H97Very high92.3Very high112 Ų11253.3 Ų53.352%0.51927%0.273SS..Hα-helixtrans-67.6-42.6176.5-65.6147.2000112.8H155 T417 F418 I419 K424 A425H155-H421 PolarHBondContact CE1-O 2.79Å; T417-H421 PolarHBondContact O-N 2.97Å; T417-H421 PolarHBondContact O-ND1 2.81Å; F418-H421 PolarHBondContact O-N 3.22Å; F418-H421 VanDerWaalsContact O-N 3.16Å; I419-H421 VanDerWaalsContact C-N 3.26Å; I419-H421 PolarHBondContact O-N 3.03Å; H421-K424 PolarHBondContact O-N 3Å; H421-A425 PolarHBondContact O-N 2.88Å; H421-A425 VanDerWaalsContact O-N 3.09Å
422V96.1Very high91Very high3 Ų356.4 Ų56.42%0.01829%0.291CS..Hα-helixtrans-60.2-49.7176.2171.50000111.3Y29 H155 C171 F418 I419 K424 A425 E426Y29-V422 HydrophobicContact CD1-CG1 3.49Å; Y29-V422 VanDerWaalsContact CD1-CG1 3.49Å; Y29-V422 HydrophobicContact CE1-CG1 3.46Å; Y29-V422 VanDerWaalsContact CE1-CG1 3.46Å; H155-V422 HydrophobicContact CB-CG2 3.79Å; C171-V422 HydrophobicContact CB-CG2 4.32Å; F418-V422 HydrophobicContact CD1-CG2 4.07Å; F418-V422 HydrophobicContact CE1-CG2 3.56Å; F418-V422 HydrophobicContact CE2-CG2 4.27Å; F418-V422 WeakPolarHBondContact O-CG2 3.25Å; F418-V422 HydrophobicContact CZ-CG2 3.66Å; F418-V422 PolarHBondContact O-N 3.4Å; I419-V422 PolarHBondContact O-N 3.22Å; I419-V422 VanDerWaalsContact O-N 3.13Å; V422-K424 PolarHBondContact O-N 3.43Å; V422-K424 VanDerWaalsContact C-N 3.31Å; V422-A425 PolarHBondContact O-N 2.8Å; V422-E426 PolarHBondContact O-N 2.68Å
423L94.5Very high89.4Confident19 Ų1958.9 Ų58.910%0.09931%0.305CS..Hα-helixtrans-66.4-34.2-178.6-64.7-176.2000112.1N30 I419 E426 N427N30-L423 HydrophobicContact CB-CD2 4.32Å; I419-L423 HydrophobicContact CG2-CD1 3.64Å; I419-L423 HydrophobicContact CG2-CG 3.86Å; I419-L423 WeakPolarHBondContact O-CB 3.26Å; I419-L423 WeakPolarHBondContact O-CG 3.19Å; I419-L423 PolarHBondContact O-N 2.89Å; L423-E426 PolarHBondContact O-N 3.08Å; L423-N427 PolarHBondContact O-N 2.82Å; L423-N427 PolarHBondContact O-ND2 2.8Å
424K94.4Very high87.6Confident151 Ų15162.6 Ų62.666%0.65732%0.322SS*.Hα-helixtrans-61.3-47.3172.8-176.4-178.9178.1-176.30111.1K420 H421 V422 N427 S428K420-K424 VanDerWaalsContact O-CB 3.32Å; K420-K424 WeakPolarHBondContact O-CB 3.42Å; K420-K424 PolarHBondContact O-N 3.3Å; H421-K424 PolarHBondContact O-N 3Å; V422-K424 PolarHBondContact O-N 3.43Å; V422-K424 VanDerWaalsContact C-N 3.31Å; K424-N427 PolarHBondContact O-N 3.47Å; K424-S428 PolarHBondContact O-OG 3.2Å; K424-S428 VanDerWaalsContact O-N 3.14Å; K424-S428 PolarHBondContact O-N 2.8Å
425A92.9Very high85.6Confident28 Ų2865.5 Ų65.523%0.23135%0.345CS..Hα-helixtrans-65.2-40.817800000112.2H155 H421 V422 N427 S428 C429H155-A425 WeakPolarHBondContact NE2-CB 3.5Å; H421-A425 PolarHBondContact O-N 2.88Å; H421-A425 VanDerWaalsContact O-N 3.09Å; V422-A425 PolarHBondContact O-N 2.8Å; A425-N427 PolarHBondContact O-N 3.03Å; A425-S428 WeakPolarHBondContact O-CB 3.39Å; A425-S428 PolarHBondContact O-N 2.79Å; A425-S428 VanDerWaalsContact O-N 3.17Å; A425-C429 PolarHBondContact O-N 3.38Å
426E90.9Very high83.4Confident20 Ų2070.4 Ų70.49%0.09337%0.368CS..Hα-helixtrans-59.7-46.5177.4-166.672.1175.300111.7R176 V422 L423 S428 C429 M430R176-E426 IonicContact CZ-OE1 3.62Å; R176-E426 IonicContact NH2-OE1 3.64Å; R176-E426 PolarHBondContact NH2-OE1 3.42Å; R176-E426 IonicContact NH2-OE2 3Å; R176-E426 PolarHBondContact NH2-OE2 3.2Å; V422-E426 PolarHBondContact O-N 2.68Å; L423-E426 PolarHBondContact O-N 3.08Å; E426-S428 VanDerWaalsContact C-N 3.3Å; E426-S428 PolarHBondContact O-N 3.23Å; E426-C429 PolarHBondContact O-N 2.72Å; E426-M430 PolarHBondContact O-N 3.48Å; E426-M430 WeakPolarHBondContact O-CG 3.32Å
427N87.9Confident80.8Confident72 Ų7270.2 Ų70.239%0.38539%0.385SS..Hα-helixtrans-61.7-38.9176.7-68.8-19.4000111.8N30 L423 K424 A425 M430 N431N30-N427 PolarHBondContact ND2-OD1 2.94Å; L423-N427 PolarHBondContact O-N 2.82Å; L423-N427 PolarHBondContact O-ND2 2.8Å; K424-N427 PolarHBondContact O-N 3.47Å; A425-N427 PolarHBondContact O-N 3.03Å; N427-M430 PolarHBondContact O-N 2.84Å; N427-N431 PolarHBondContact O-N 2.79Å; N427-N431 VanDerWaalsContact O-N 3.12Å; N427-N431 PolarHBondContact O-ND2 3.14Å
428S87.1Confident78Confident68 Ų6874.9 Ų74.948%0.47641%0.407SS..Hα-helixtrans-62.7-43.8175-68.90000112.1K424 A425 E426 N431 V432K424-S428 PolarHBondContact O-OG 3.2Å; K424-S428 VanDerWaalsContact O-N 3.14Å; K424-S428 PolarHBondContact O-N 2.8Å; A425-S428 WeakPolarHBondContact O-CB 3.39Å; A425-S428 PolarHBondContact O-N 2.79Å; A425-S428 VanDerWaalsContact O-N 3.17Å; E426-S428 VanDerWaalsContact C-N 3.3Å; E426-S428 PolarHBondContact O-N 3.23Å; S428-N431 PolarHBondContact O-N 3Å; S428-V432 WeakPolarHBondContact O-CG2 3.43Å; S428-V432 PolarHBondContact O-N 3.03Å
429C79.8Confident74.9Confident54 Ų5478.1 Ų78.137%0.36543%0.431SS..Hα-helixtrans-64.2-41.8176.3-68.70000112.6A425 E426 N431 V432 D433A425-C429 PolarHBondContact O-N 3.38Å; E426-C429 PolarHBondContact O-N 2.72Å; C429-N431 VanDerWaalsContact C-N 3.3Å; C429-N431 PolarHBondContact O-N 2.92Å; C429-V432 PolarHBondContact O-N 2.97Å; C429-D433 PolarHBondContact O-N 2.88Å
430M74.9Confident71.7Confident85 Ų8586 Ų8642%0.41947%0.474SS..Hα-helixtrans-63.8-35.5178.2-68.5-174.877.400112.6E426 N427 Q434E426-M430 PolarHBondContact O-N 3.48Å; E426-M430 WeakPolarHBondContact O-CG 3.32Å; N427-M430 PolarHBondContact O-N 2.84Å; M430-Q434 WeakPolarHBondContact O-CG 3.48Å; M430-Q434 PolarHBondContact O-N 2.92Å; M430-Q434 VanDerWaalsContact O-N 3.14Å
431N71.1Confident68.8Low100 Ų10085.4 Ų85.454%0.53548%0.484SS..Hα-helixtrans-67.6-36.5175-71.8-16.9000111.7N427 S428 C429 Q434 V435N427-N431 PolarHBondContact O-N 2.79Å; N427-N431 VanDerWaalsContact O-N 3.12Å; N427-N431 PolarHBondContact O-ND2 3.14Å; S428-N431 PolarHBondContact O-N 3Å; C429-N431 VanDerWaalsContact C-N 3.3Å; C429-N431 PolarHBondContact O-N 2.92Å; N431-Q434 PolarHBondContact O-N 2.84Å; N431-V435 VanDerWaalsContact O-CG2 3.29Å; N431-V435 PolarHBondContact O-N 2.77Å; N431-V435 WeakPolarHBondContact O-CG2 3.02Å
432V69.6Low66.1Low72 Ų7288.8 Ų88.844%0.43650%0.498SS..Hα-helixtrans-66.3-47.2174.7177.30000110.6S428 C429 Q434 V435 E436S428-V432 WeakPolarHBondContact O-CG2 3.43Å; S428-V432 PolarHBondContact O-N 3.03Å; C429-V432 PolarHBondContact O-N 2.97Å; V432-Q434 PolarHBondContact O-N 2.96Å; V432-V435 PolarHBondContact O-N 3.13Å; V432-E436 HydrophobicContact CG1-CG 4Å; V432-E436 WeakPolarHBondContact O-CB 3.28Å; V432-E436 PolarHBondContact O-N 3.24Å
433D63.6Low63.3Low55 Ų5597.6 Ų97.629%0.29454%0.536SS..Hα-helixtrans-57.2-35.4177.6-66.6-25.9000112.1R173 C429 G437R173-D433 IonicContact CZ-OD2 2.92Å; R173-D433 IonicContact NH1-OD2 3.66Å; R173-D433 PolarHBondContact NH1-OD2 2.87Å; R173-D433 IonicContact NH2-OD2 2.77Å; R173-D433 PolarHBondContact NH2-OD2 3.3Å; C429-D433 PolarHBondContact O-N 2.88Å; D433-G437 PolarHBondContact O-N 3.47Å
434Q57.4Low60.4Low151 Ų151102.3 Ų102.371%0.70657%0.568SS**Hα-helixtrans-72.1-29.6176.3-74.4-17913.400113.4M430 N431 V432M430-Q434 WeakPolarHBondContact O-CG 3.48Å; M430-Q434 PolarHBondContact O-N 2.92Å; M430-Q434 VanDerWaalsContact O-N 3.14Å; N431-Q434 PolarHBondContact O-N 2.84Å; V432-Q434 PolarHBondContact O-N 2.96Å
435V56Low58Low117 Ų117101.9 Ų101.971%0.70957%0.571SS**Hα-helixtrans-83.4-38.2177.6175.10000110.9N431 V432N431-V435 VanDerWaalsContact O-CG2 3.29Å; N431-V435 PolarHBondContact O-N 2.77Å; N431-V435 WeakPolarHBondContact O-CG2 3.02Å; V432-V435 PolarHBondContact O-N 3.13Å
436E51.1Low55Low103 Ų103104.8 Ų104.848%0.48159%0.587SS.*Hα-helixtrans-83.2-8.9179.6-69.5-173.3169.200113.7V432 N438 S439V432-E436 HydrophobicContact CG1-CG 4Å; V432-E436 WeakPolarHBondContact O-CB 3.28Å; V432-E436 PolarHBondContact O-N 3.24Å; E436-N438 PolarHBondContact O-N 2.79Å; E436-S439 PolarHBondContact O-N 2.74Å
437G43.7Very low52.2Low64 Ų64108.9 Ų108.966%0.6663%0.625SS**THydrogen-bonded Turntrans-59.35.5170.700000115.8D433D433-G437 PolarHBondContact O-N 3.47Å
438N39.3Very low49.7Very low165 Ų165117.7 Ų117.788%0.88266%0.66SS**THydrogen-bonded Turntrans-116.36.9169.7-92.2-16.7000114.3E436E436-N438 PolarHBondContact O-N 2.79Å
439S31.2Very low47.8Very low82 Ų82120.2 Ų120.257%0.57367%0.669SS**SBendtrans-153.9115.3177.557.30000113E436E436-S439 PolarHBondContact O-N 2.74Å
440D31.5Very low46.1Very low168 Ų168123.7 Ų123.790%0.89869%0.685SS**  trans-56.3128.2172.9-81-44000113.2
441S35.3Very low44.5Very low104 Ų104125.8 Ų125.873%0.72770%0.7SS**  157.3101.9126.353.40000112.6K443S441-K443 PolarHBondContact O-N 2.85Å
442F40.6Very low43Very low183 Ų183127.4 Ų127.480%0.80371%0.71SS**  trans-70114.1160.3-90.8-87.8000108.8
443K36.3Very low41.3Very low189 Ų189130.8 Ų130.882%0.82273%0.727SS**PPolyproline II helixtrans-70129166.8-77.2-176.2179.3176.40109S441S441-K443 PolarHBondContact O-N 2.85Å
444P33.4Very low39.8Very low118 Ų118135.9 Ų135.977%0.76676%0.756SS**PPolyproline II helixtrans-68.5146.3175.928.8-31.5000109.9
445I43.9Very low38.5Very low141 Ų141134.8 Ų134.872%0.72376%0.76SS**PPolyproline II helixtrans-59.5135.4165.6-59.6171.3000107A447I445-A447 PolarHBondContact O-N 3.22Å
446P31.6Very low37.2Very low89 Ų89136.2 Ų136.258%0.57876%0.764SS**PPolyproline II helixtrans-59124.4175.8-15.527.5000109.3F448P446-F448 HydrophobicContact CB-CD2 4.34Å; P446-F448 HydrophobicContact CB-CE2 3.99Å; P446-F448 HydrophobicContact CB-CZ 4.43Å; P446-F448 HydrophobicContact CG-CE2 4.37Å; P446-F448 PolarHBondContact O-N 3.22Å
447A31.9Very low36Very low107 Ų107138.9 Ų138.988%0.88479%0.787SS**PPolyproline II helixtrans-68.6116.6163.300000107.3I445I445-A447 PolarHBondContact O-N 3.22Å
448F34.1Very low35.4Very low257 Ų257145.7 Ų145.7100%1.12780%0.799SS**  trans-94.20171.6-80.1-76.4000111P446P446-F448 HydrophobicContact CB-CD2 4.34Å; P446-F448 HydrophobicContact CB-CE2 3.99Å; P446-F448 HydrophobicContact CB-CZ 4.43Å; P446-F448 HydrophobicContact CG-CE2 4.37Å; P446-F448 PolarHBondContact O-N 3.22Å

Retrieved 448 of 448 residues in 602.6 ms (Link to these results)

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